
 Nucleopeptide Y

589598  0  0  0  0  0  0  0  0999 V2000
   11.3722    6.4320   14.3607 C   0  0  0  0  0
   12.8674    6.5859   14.6070 C   0  0  0  0  0
   13.7217    6.6419   13.3154 C   0  0  0  0  0
   13.3247    7.8510   12.4550 C   0  0  0  0  0
   15.2399    6.6684   13.6682 C   0  0  0  0  0
   15.6819    5.3629   14.3625 C   0  0  0  0  0
   15.7013    5.3096   15.6004 O   0  0  0  0  0
   15.9002    4.1755   13.7517 N   0  0  0  0  0
   16.0639    3.6637   12.3806 C   0  0  0  0  0
   14.8886    3.9124   11.4415 C   0  0  0  0  0
   15.0053    3.0514   10.1997 C   0  0  0  0  0
   16.0470    2.5453    9.7998 O   0  0  0  0  0
   13.8485    2.9263    9.4882 N   0  0  0  0  0
   17.4043    4.1505   11.8062 C   0  0  0  0  0
   17.4580    5.1981   11.1489 O   0  0  0  0  0
   18.5711    3.4974   12.0882 N   0  0  0  0  0
   18.8183    2.1577   12.6677 C   0  0  0  0  0
   18.3266    1.9943   14.1148 C   0  0  0  0  0
   18.9996    0.8476   14.8999 C   0  0  0  0  0
   20.4682    1.1371   15.2146 C   0  0  0  0  0
   18.2416    0.6003   16.2088 C   0  0  0  0  0
   18.2443    1.1112   11.6922 C   0  0  0  0  0
   17.2419    0.4369   11.9203 O   0  0  0  0  0
   18.8634    1.0442   10.4570 N   0  0  0  0  0
   19.8110   -0.0708   10.2093 C   0  0  0  0  0
   21.1872    0.4623    9.7082 C   0  0  0  0  0
   21.8318    1.5028   10.6302 C   0  0  0  0  0
   22.1535   -0.7036    9.4017 C   0  0  0  0  0
   23.4283   -0.2808    8.6835 C   0  0  0  0  0
   19.9082   -1.0400   11.4159 C   0  0  0  0  0
   20.5613   -0.7404   12.4199 O   0  0  0  0  0
   19.1565   -2.1747   11.4902 N   0  0  0  0  0
   18.3841   -2.9363   10.4838 C   0  0  0  0  0
   17.1567   -2.2103    9.8937 C   0  0  0  0  0
   16.3520   -3.1134    8.9604 C   0  0  0  0  0
   16.2603   -1.8405   10.9508 O   0  0  0  0  0
   19.3836   -3.4355    9.4316 C   0  0  0  0  0
   19.5411   -2.8345    8.3639 O   0  0  0  0  0
   20.2559   -4.4578    9.6953 N   0  0  0  0  0
   20.0623   -5.6712   10.5092 C   0  0  0  0  0
   19.7862   -5.4531   12.0013 C   0  0  0  0  0
   20.1522   -6.6930   12.8288 C   0  0  0  0  0
   19.8986   -6.4668   14.3190 C   0  0  0  0  0
   20.2743   -7.6600   15.0646 N   0  0  0  0  0
   20.0887   -7.7056   16.4048 C   0  0  0  0  0
   19.4628   -6.8242   17.0909 N   0  0  0  0  0
   20.6444   -8.8099   16.9400 N   0  0  0  0  0
   18.9693   -6.4750    9.7880 C   0  0  0  0  0
   17.7773   -6.1793    9.9167 O   0  0  0  0  0
   19.2694   -7.4159    8.8502 N   0  0  0  0  0
   20.4933   -8.1825    8.5740 C   0  0  0  0  0
   21.6890   -7.3374    8.1198 C   0  0  0  0  0
   22.7531   -8.2013    7.4380 C   0  0  0  0  0
   24.0307   -7.4204    7.2513 C   0  0  0  0  0
   24.3560   -6.9032    6.1906 O   0  0  0  0  0
   24.7936   -7.2880    8.3731 N   0  0  0  0  0
   20.7912   -9.0532    9.8101 C   0  0  0  0  0
   21.6346   -8.7047   10.6434 O   0  0  0  0  0
   20.0585  -10.1680   10.1021 N   0  0  0  0  0
   19.3302  -11.1003    9.2219 C   0  0  0  0  0
   18.1894  -10.4816    8.4037 C   0  0  0  0  0
   17.1908  -11.5428    7.9294 C   0  0  0  0  0
   16.0744  -10.9290    7.0847 C   0  0  0  0  0
   15.1381  -11.9550    6.6938 N   0  0  0  0  0
   14.1620  -12.4860    7.4535 C   0  0  0  0  0
   13.6585  -12.0247    8.5364 N   0  0  0  0  0
   13.7025  -13.6496    6.9582 N   0  0  0  0  0
   20.3972  -11.7950    8.3571 C   0  0  0  0  0
   20.8541  -11.2359    7.3540 O   0  0  0  0  0
   21.0034  -12.9532    8.7427 N   0  0  0  0  0
   20.6370  -13.9804    9.7338 C   0  0  0  0  0
   20.5317  -13.5036   11.1883 C   0  0  0  0  0
   20.5600  -14.6557   12.1696 C   0  0  0  0  0
   21.7758  -15.1332   12.6765 C   0  0  0  0  0
   21.7924  -16.2061   13.5695 C   0  0  0  0  0
   20.5986  -16.8039   13.9552 C   0  0  0  0  0
   19.3822  -16.3486   13.4604 C   0  0  0  0  0
   19.3643  -15.2752   12.5677 C   0  0  0  0  0
   20.6642  -17.8454   14.8319 O   0  0  0  0  0
   19.3636  -14.6775    9.2317 C   0  0  0  0  0
   18.2313  -14.2598    9.4539 O   0  0  0  0  0
   19.5592  -15.7144    8.3631 N   0  0  0  0  0
   16.0760    7.0690   12.5372 N   0  0  0  0  0
   17.1440    7.9276   12.7122 C   0  0  0  0  0
   17.5373    8.2994   13.8165 O   0  0  0  0  0
   17.6814    8.5632   11.4046 C   0  0  0  0  0
   16.6604    9.6822   11.0626 C   0  0  0  0  0
   17.1317   10.8786   10.2730 C   0  0  0  0  0
   16.8085   11.0284    8.9194 C   0  0  0  0  0
   17.2182   12.1646    8.2139 C   0  0  0  0  0
   17.9419   13.1597    8.8595 C   0  0  0  0  0
   18.2336   13.0493   10.2123 C   0  0  0  0  0
   17.8335   11.9106   10.9150 C   0  0  0  0  0
   18.3656   14.2246    8.1205 O   0  0  0  0  0
   19.0304    9.0523   11.6946 N   0  0  0  0  0
   20.2029    8.9788   11.0162 C   0  0  0  0  0
   21.2079    9.4373   11.5723 O   0  0  0  0  0
   20.3614    8.2457    9.6676 C   0  0  0  0  0
   20.4444    6.7263    9.9079 C   0  0  0  0  0
   21.1097    6.0174    8.7714 C   0  0  0  0  0
   22.3385    5.3994    8.6769 C   0  0  0  0  0
   22.5441    4.9110    7.4150 N   0  0  0  0  0
   21.4596    5.2135    6.7410 C   0  0  0  0  0
   20.5522    5.8700    7.5225 N   0  0  0  0  0
   19.3392    8.5617    8.6701 N   0  0  0  0  0
   19.3409    9.4309    7.6313 C   0  0  0  0  0
   18.4559    9.2348    6.7860 O   0  0  0  0  0
   20.4337   10.4973    7.3647 C   0  0  0  0  0
   21.1529   11.1163    8.5676 C   0  0  0  0  0
   21.7008   12.5001    8.2146 C   0  0  0  0  0
   22.2404   13.2697    9.4195 C   0  0  0  0  0
   22.4732   14.6594    9.0351 N   0  0  0  0  0
   21.4481   15.4752    8.7028 C   0  0  0  0  0
   20.3772   15.6386    9.3958 N   0  0  0  0  0
   21.6194   16.1015    7.5267 N   0  0  0  0  0
   21.3743    9.9509    6.3882 N   0  0  0  0  0
   21.3415   10.0613    5.0288 C   0  0  0  0  0
   21.8266    9.1253    4.3841 O   0  0  0  0  0
   20.7022   11.2618    4.2776 C   0  0  0  0  0
   19.1736   11.1215    4.1735 C   0  0  0  0  0
   18.5364   12.0310    3.0996 C   0  0  0  0  0
   18.8097   11.5256    1.6815 C   0  0  0  0  0
   17.0239   12.1209    3.3234 C   0  0  0  0  0
   21.0766   12.5629    4.8492 N   0  0  0  0  0
   22.1393   13.3824    4.6156 C   0  0  0  0  0
   22.2654   14.3731    5.3473 O   0  0  0  0  0
   23.1330   13.1598    3.4514 C   0  0  0  0  0
   23.8678   11.8307    3.5024 C   0  0  0  0  0
   22.4421   13.3579    2.1780 N   0  0  0  0  0
   22.4085   14.4663    1.3847 C   0  0  0  0  0
   21.3555   14.6859    0.7799 O   0  0  0  0  0
   23.5954   15.4358    1.2634 C   0  0  0  0  0
   23.6322   16.4557    2.4038 C   0  0  0  0  0
   24.2431   17.6536    1.9160 O   0  0  0  0  0
   24.8667   14.7195    1.0924 N   0  0  0  0  0
   25.8932   14.8826    0.2175 C   0  0  0  0  0
   26.8071   14.0514    0.2839 O   0  0  0  0  0
   25.9571   15.9962   -0.8515 C   0  0  0  0  0
   24.8530   15.8296   -1.9097 C   0  0  0  0  0
   25.1670   16.5295   -3.2119 C   0  0  0  0  0
   26.0472   15.9501   -4.1365 C   0  0  0  0  0
   26.3500   16.6074   -5.3303 C   0  0  0  0  0
   25.7659   17.8400   -5.6019 C   0  0  0  0  0
   24.8720   18.4163   -4.7096 C   0  0  0  0  0
   24.5797   17.7677   -3.5100 C   0  0  0  0  0
   26.0594   18.5290   -6.7409 O   0  0  0  0  0
   25.9834   17.3215   -0.2335 N   0  0  0  0  0
   27.0200   18.1771   -0.0188 C   0  0  0  0  0
   26.8217   19.1220    0.7556 O   0  0  0  0  0
   28.4341   17.9842   -0.6086 C   0  0  0  0  0
   29.2059   16.9036    0.1733 C   0  0  0  0  0
   30.6745   16.8714   -0.1967 C   0  0  0  0  0
   31.5356   17.8969    0.2195 C   0  0  0  0  0
   32.8736   17.9013   -0.1769 C   0  0  0  0  0
   33.3574   16.8780   -0.9812 C   0  0  0  0  0
   32.5256   15.8417   -1.3911 C   0  0  0  0  0
   31.1845   15.8395   -0.9988 C   0  0  0  0  0
   34.6664   16.9307   -1.3579 O   0  0  0  0  0
   28.4792   17.7507   -2.0547 N   0  0  0  0  0
   28.8167   18.5764   -3.0818 C   0  0  0  0  0
   28.9808   18.0477   -4.1876 O   0  0  0  0  0
   28.8895   20.1189   -2.9516 C   0  0  0  0  0
   27.4704   20.6629   -2.7275 C   0  0  0  0  0
   27.3642   22.1638   -3.0059 C   0  0  0  0  0
   25.9306   22.6547   -2.8020 C   0  0  0  0  0
   25.8427   24.0730   -3.0848 N   0  0  0  0  0
   25.6448   24.6016   -4.3114 C   0  0  0  0  0
   25.6942   24.0279   -5.4539 N   0  0  0  0  0
   25.3766   25.9187   -4.2432 N   0  0  0  0  0
   29.8040   20.6059   -1.9209 N   0  0  0  0  0
   31.1424   20.8388   -1.9323 C   0  0  0  0  0
   31.6352   21.2676   -0.8817 O   0  0  0  0  0
   32.0165   20.7370   -3.1998 C   0  0  0  0  0
   31.8882   19.4621   -4.0125 C   0  0  0  0  0
   31.8090   21.9303   -4.0225 N   0  0  0  0  0
   32.6264   22.9811   -4.3016 C   0  0  0  0  0
   32.1010   23.9935   -4.7767 O   0  0  0  0  0
   34.1486   22.9787   -4.0228 C   0  0  0  0  0
   34.4236   23.2042   -2.5268 C   0  0  0  0  0
   35.8916   23.5398   -2.1907 C   0  0  0  0  0
   36.3037   24.9212   -2.7028 C   0  0  0  0  0
   36.0994   23.4808   -0.6738 C   0  0  0  0  0
   34.7765   21.7588   -4.5283 N   0  0  0  0  0
   35.1560   21.4318   -5.7930 C   0  0  0  0  0
   35.3188   20.2307   -6.0315 O   0  0  0  0  0
   35.4392   22.4798   -6.8888 C   0  0  0  0  0
   34.2201   23.2907   -7.3191 C   0  0  0  0  0
   34.3221   23.6134   -8.7860 C   0  0  0  0  0
   35.3103   23.4968   -9.4942 O   0  0  0  0  0
   33.1673   24.0944   -9.2790 O   0  0  0  0  0
   36.5750   23.3244   -6.5110 N   0  0  0  0  0
   37.8927   23.2574   -6.8355 C   0  0  0  0  0
   38.6113   24.1648   -6.3926 O   0  0  0  0  0
   38.5062   22.2409   -7.8331 C   0  0  0  0  0
   38.0445   20.7856   -7.7280 C   0  0  0  0  0
   39.0642   19.7956   -8.2894 C   0  0  0  0  0
   38.5654   18.3831   -8.1765 C   0  0  0  0  0
   39.0581   17.5025   -7.4922 O   0  0  0  0  0
   37.4891   18.1446   -8.9471 O   0  0  0  0  0
   38.3789   22.7707   -9.1946 N   0  0  0  0  0
   39.2639   23.5646   -9.8776 C   0  0  0  0  0
   38.8569   24.1700  -10.8738 O   0  0  0  0  0
   40.7281   23.7118   -9.3830 C   0  0  0  0  0
   41.4881   22.3926   -9.5080 C   0  0  0  0  0
   41.4681   24.7062  -10.1697 N   0  0  0  0  0
   41.3906   26.0613  -10.1782 C   0  0  0  0  0
   42.1531   26.6817  -10.9255 O   0  0  0  0  0
   40.3301   26.7808   -9.3270 C   0  0  0  0  0
   40.7965   26.9526   -7.8823 C   0  0  0  0  0
   41.5311   28.2891   -7.9078 C   0  0  0  0  0
   40.7108   29.1212   -8.8800 C   0  0  0  0  0
   40.1494   28.1611   -9.8150 N   0  0  0  0  0
   39.5847   28.5733  -11.0039 C   0  0  0  0  0
   39.5182   29.7770  -11.2887 O   0  0  0  0  0
   39.0107   27.5041  -11.9704 C   0  0  0  0  0
   37.5887   27.1551  -11.5387 C   0  0  0  0  0
   38.9823   27.9917  -13.3608 N   0  0  0  0  0
   39.9348   27.9508  -14.3368 C   0  0  0  0  0
   39.6261   28.3519  -15.4616 O   0  0  0  0  0
   41.3421   27.3990  -14.0335 C   0  0  0  0  0
   41.2717   25.8720  -14.1847 C   0  0  0  0  0
   42.4477   25.1702  -13.5665 C   0  0  0  0  0
   42.4014   24.2402  -12.7757 O   0  0  0  0  0
   43.6290   25.6061  -14.0457 O   0  0  0  0  0
   42.3862   27.9416  -14.9327 N   0  0  0  0  0
   42.8824   29.2097  -15.0222 C   0  0  0  0  0
   44.0676   29.3361  -15.3457 O   0  0  0  0  0
   41.9914   30.4408  -14.7673 C   0  0  0  0  0
   41.9879   30.8464  -13.2922 C   0  0  0  0  0
   41.1793   32.1160  -13.0020 C   0  0  0  0  0
   39.8347   32.1587  -13.6913 C   0  0  0  0  0
   39.6170   32.7776  -14.7254 O   0  0  0  0  0
   38.8886   31.4038  -13.1040 O   0  0  0  0  0
   42.4974   31.5370  -15.5969 N   0  0  0  0  0
   42.0623   31.9475  -16.8215 C   0  0  0  0  0
   42.7275   32.7880  -17.4345 O   0  0  0  0  0
   40.7555   31.4104  -17.4114 C   0  0  0  0  0
   39.8310   32.5024  -17.6832 N   0  0  0  0  0
   39.7119   33.2681  -18.8059 C   0  0  0  0  0
   38.9830   34.2615  -18.7559 O   0  0  0  0  0
   40.5380   32.9110  -20.0583 C   0  0  0  0  0
   40.1133   31.5348  -20.6201 C   0  0  0  0  0
   39.4425   31.8423  -21.9493 C   0  0  0  0  0
   40.2236   33.0422  -22.4286 C   0  0  0  0  0
   40.4322   33.8226  -21.2205 N   0  0  0  0  0
   41.0456   35.0602  -21.3604 C   0  0  0  0  0
   41.5816   35.3710  -22.4306 O   0  0  0  0  0
   40.8586   36.1238  -20.2453 C   0  0  0  0  0
   41.8731   35.9513  -19.1197 C   0  0  0  0  0
   41.4673   36.7341  -17.8914 C   0  0  0  0  0
   42.0982   37.6974  -17.4671 O   0  0  0  0  0
   40.3400   36.3126  -17.2572 N   0  0  0  0  0
   40.9951   37.4664  -20.8465 N   0  0  0  0  0
   40.1802   38.2410  -21.5981 C   0  0  0  0  0
   40.6732   39.3145  -21.9776 O   0  0  0  0  0
   38.6905   37.9700  -21.9246 C   0  0  0  0  0
   38.1939   36.5314  -21.9224 C   0  0  0  0  0
   36.8748   36.3543  -22.6186 C   0  0  0  0  0
   35.9328   35.7036  -22.1963 O   0  0  0  0  0
   36.8201   36.9037  -23.8437 O   0  0  0  0  0
   37.8013   38.8431  -21.1360 N   0  0  0  0  0
   37.3935   40.1333  -21.3326 C   0  0  0  0  0
   36.5396   40.5665  -20.5516 O   0  0  0  0  0
   38.0415   41.0486  -22.4025 C   0  0  0  0  0
   37.7950   40.5661  -23.8431 C   0  0  0  0  0
   36.6935   41.4654  -24.3734 C   0  0  0  0  0
   37.0122   42.7884  -23.7243 C   0  0  0  0  0
   37.5227   42.4413  -22.4077 N   0  0  0  0  0
   37.7473   43.4798  -21.5261 C   0  0  0  0  0
   37.5482   44.6428  -21.9159 O   0  0  0  0  0
   38.0306   43.2402  -20.0111 C   0  0  0  0  0
   39.2592   42.3955  -19.6382 C   0  0  0  0  0
   39.3344   42.1726  -18.1153 C   0  0  0  0  0
   40.5707   41.3717  -17.7071 C   0  0  0  0  0
   40.6188   41.1843  -16.1896 C   0  0  0  0  0
   41.8457   40.5055  -15.7983 N   0  0  0  0  0
   38.2112   44.5675  -19.3759 N   0  0  0  0  0
   37.3801   45.5791  -19.0431 C   0  0  0  0  0
   37.9409   46.5603  -18.5300 O   0  0  0  0  0
   35.8652   45.6367  -19.3606 C   0  0  0  0  0
   35.0825   44.3326  -19.2087 C   0  0  0  0  0
   33.6712   44.5854  -19.2295 O   0  0  0  0  0
   35.2783   46.6132  -18.4048 N   0  0  0  0  0
   35.3351   47.9666  -18.3416 C   0  0  0  0  0
   35.1415   48.4107  -17.1987 O   0  0  0  0  0
   35.3917   48.9597  -19.5342 C   0  0  0  0  0
   35.9295   48.5146  -20.8839 C   0  0  0  0  0
   34.7003   48.1024  -21.7071 C   0  0  0  0  0
   33.4888   48.4795  -20.8624 C   0  0  0  0  0
   34.0225   49.3649  -19.8504 N   0  0  0  0  0
   33.2279   50.3478  -19.3023 C   0  0  0  0  0
   31.9988   50.2997  -19.4530 O   0  0  0  0  0
   33.8402   51.5775  -18.5801 C   0  0  0  0  0
   34.4424   51.2820  -17.2008 C   0  0  0  0  0
   34.5636   52.5140  -16.3260 C   0  0  0  0  0
   33.4857   52.9231  -15.5274 C   0  0  0  0  0
   33.5898   54.0603  -14.7230 C   0  0  0  0  0
   34.7722   54.7929  -14.7231 C   0  0  0  0  0
   35.8491   54.4059  -15.5107 C   0  0  0  0  0
   35.7473   53.2663  -16.3097 C   0  0  0  0  0
   34.9164   55.9091  -13.9528 O   0  0  0  0  0
   34.7606   52.3059  -19.4931 N   0  0  0  0  0
   10.8538    6.2642   15.3106 H   0  0  0  0  0
   11.1669    5.5775   13.7084 H   0  0  0  0  0
   10.9409    7.3298   13.9097 H   0  0  0  0  0
   13.1796    5.7325   15.2185 H   0  0  0  0  0
   13.0397    7.4864   15.2091 H   0  0  0  0  0
   13.4949    5.7432   12.7380 H   0  0  0  0  0
   13.5275    8.7916   12.9778 H   0  0  0  0  0
   12.2632    7.8277   12.1929 H   0  0  0  0  0
   13.8711    7.8599   11.5065 H   0  0  0  0  0
   15.3713    7.4513   14.4288 H   0  0  0  0  0
   16.1124    3.4975   14.4751 H   0  0  0  0  0
   16.1165    2.5815   12.5029 H   0  0  0  0  0
   14.8282    4.9507   11.1072 H   0  0  0  0  0
   13.9519    3.6555   11.9503 H   0  0  0  0  0
   12.9427    3.1661    9.8686 H   0  0  0  0  0
   13.8672    2.3090    8.6848 H   0  0  0  0  0
   19.3614    3.8947   11.5955 H   0  0  0  0  0
   19.9053    2.0550   12.6577 H   0  0  0  0  0
   17.2529    1.7891   14.1190 H   0  0  0  0  0
   18.4764    2.9341   14.6615 H   0  0  0  0  0
   18.9387   -0.0741   14.3111 H   0  0  0  0  0
   20.5743    2.0610   15.7932 H   0  0  0  0  0
   21.0682    1.2370   14.3064 H   0  0  0  0  0
   20.9046    0.3214   15.8016 H   0  0  0  0  0
   18.2528    1.4886   16.8494 H   0  0  0  0  0
   18.6899   -0.2281   16.7680 H   0  0  0  0  0
   17.1969    0.3378   16.0104 H   0  0  0  0  0
   18.1234    0.9910    9.7620 H   0  0  0  0  0
   19.3883   -0.6152    9.3653 H   0  0  0  0  0
   20.9896    0.9813    8.7588 H   0  0  0  0  0
   22.0985    1.0816   11.6030 H   0  0  0  0  0
   21.1670    2.3561   10.7873 H   0  0  0  0  0
   22.7443    1.9128   10.1863 H   0  0  0  0  0
   21.6439   -1.4317    8.7628 H   0  0  0  0  0
   22.4289   -1.2270   10.3246 H   0  0  0  0  0
   23.2002    0.2976    7.7829 H   0  0  0  0  0
   23.9973   -1.1664    8.3814 H   0  0  0  0  0
   24.0760    0.3180    9.3298 H   0  0  0  0  0
   19.2572   -2.6254   12.3911 H   0  0  0  0  0
   17.9822   -3.7896   11.0278 H   0  0  0  0  0
   17.4191   -1.3030    9.3472 H   0  0  0  0  0
   15.9984   -4.0066    9.4873 H   0  0  0  0  0
   16.9310   -3.4259    8.0875 H   0  0  0  0  0
   15.4569   -2.5892    8.6068 H   0  0  0  0  0
   16.6577   -1.0730   11.4199 H   0  0  0  0  0
   20.8561   -4.5913    8.8886 H   0  0  0  0  0
   21.0127   -6.1942   10.4486 H   0  0  0  0  0
   18.7339   -5.2304   12.1942 H   0  0  0  0  0
   20.3818   -4.6072   12.3633 H   0  0  0  0  0
   21.2107   -6.9372   12.6766 H   0  0  0  0  0
   19.5716   -7.5577   12.4842 H   0  0  0  0  0
   18.8377   -6.2428   14.4810 H   0  0  0  0  0
   20.4869   -5.6111   14.6708 H   0  0  0  0  0
   21.1816   -8.0236   14.7969 H   0  0  0  0  0
   19.4795   -7.0754   18.0793 H   0  0  0  0  0
   20.5378   -9.6227   16.3446 H   0  0  0  0  0
   20.3427   -9.0158   17.8836 H   0  0  0  0  0
   18.4217   -7.7647    8.4204 H   0  0  0  0  0
   20.2443   -8.8299    7.7340 H   0  0  0  0  0
   22.1543   -6.8058    8.9523 H   0  0  0  0  0
   21.3539   -6.5667    7.4139 H   0  0  0  0  0
   22.4048   -8.5455    6.4578 H   0  0  0  0  0
   22.9815   -9.0952    8.0300 H   0  0  0  0  0
   24.5709   -7.7364    9.2520 H   0  0  0  0  0
   25.6650   -6.7795    8.2938 H   0  0  0  0  0
   20.3766  -10.5705   10.9758 H   0  0  0  0  0
   18.8711  -11.8194    9.8959 H   0  0  0  0  0
   18.5600   -9.9581    7.5191 H   0  0  0  0  0
   17.6504   -9.7552    9.0231 H   0  0  0  0  0
   16.7563  -12.0470    8.8011 H   0  0  0  0  0
   17.7099  -12.3107    7.3426 H   0  0  0  0  0
   16.5006  -10.4789    6.1807 H   0  0  0  0  0
   15.5696  -10.1225    7.6275 H   0  0  0  0  0
   15.3252  -12.4233    5.8166 H   0  0  0  0  0
   14.0920  -11.1287    8.7572 H   0  0  0  0  0
   14.4385  -14.3168    6.7723 H   0  0  0  0  0
   13.0396  -14.0430    7.6207 H   0  0  0  0  0
   21.6823  -13.2440    8.0476 H   0  0  0  0  0
   21.4560  -14.7104    9.6766 H   0  0  0  0  0
   19.6182  -12.9352   11.3812 H   0  0  0  0  0
   21.3614  -12.8227   11.4178 H   0  0  0  0  0
   22.7186  -14.6727   12.3899 H   0  0  0  0  0
   22.7339  -16.5730   13.9691 H   0  0  0  0  0
   18.4446  -16.8100   13.7552 H   0  0  0  0  0
   18.4053  -14.9244   12.1869 H   0  0  0  0  0
   19.7605  -18.1327   15.0437 H   0  0  0  0  0
   20.4493  -16.1828    8.2585 H   0  0  0  0  0
   18.7346  -16.1995    8.0308 H   0  0  0  0  0
   16.1359    6.4703   11.7193 H   0  0  0  0  0
   17.7198    7.8131   10.6149 H   0  0  0  0  0
   16.2147   10.0798   11.9869 H   0  0  0  0  0
   15.8117    9.2197   10.5396 H   0  0  0  0  0
   16.2383   10.2648    8.3942 H   0  0  0  0  0
   16.9723   12.2674    7.1605 H   0  0  0  0  0
   18.7598   13.8375   10.7392 H   0  0  0  0  0
   18.0612   11.8422   11.9774 H   0  0  0  0  0
   18.9256   14.8190    8.6765 H   0  0  0  0  0
   19.1375    9.4665   12.6183 H   0  0  0  0  0
   21.3201    8.5670    9.2518 H   0  0  0  0  0
   19.4470    6.3017   10.0533 H   0  0  0  0  0
   21.0079    6.5215   10.8271 H   0  0  0  0  0
   23.0919    5.2894    9.4472 H   0  0  0  0  0
   21.2755    4.9891    5.6983 H   0  0  0  0  0
   19.6509    6.2089    7.2118 H   0  0  0  0  0
   18.5161    7.9736    8.6545 H   0  0  0  0  0
   19.8723   11.3046    6.8921 H   0  0  0  0  0
   21.9919   10.4970    8.8989 H   0  0  0  0  0
   20.4549   11.2152    9.4026 H   0  0  0  0  0
   20.8975   13.0814    7.7513 H   0  0  0  0  0
   22.4950   12.4056    7.4645 H   0  0  0  0  0
   23.1839   12.8271    9.7565 H   0  0  0  0  0
   21.5427   13.2214   10.2623 H   0  0  0  0  0
   23.2588   14.7591    8.3998 H   0  0  0  0  0
   20.5501   15.1533   10.2843 H   0  0  0  0  0
   21.9203   15.4955    6.7603 H   0  0  0  0  0
   20.7770   16.5992    7.2576 H   0  0  0  0  0
   21.8214    9.0795    6.6570 H   0  0  0  0  0
   21.1230   11.2144    3.2726 H   0  0  0  0  0
   18.7162   11.3666    5.1372 H   0  0  0  0  0
   18.9108   10.0761    3.9661 H   0  0  0  0  0
   18.9452   13.0447    3.1916 H   0  0  0  0  0
   18.4104   10.5160    1.5371 H   0  0  0  0  0
   19.8790   11.4991    1.4577 H   0  0  0  0  0
   18.3388   12.1819    0.9413 H   0  0  0  0  0
   16.5518   11.1351    3.2528 H   0  0  0  0  0
   16.5582   12.7752    2.5787 H   0  0  0  0  0
   16.8009   12.5343    4.3128 H   0  0  0  0  0
   20.5051   12.8939    5.6182 H   0  0  0  0  0
   23.8855   13.9439    3.5677 H   0  0  0  0  0
   23.2789   11.0083    3.0909 H   0  0  0  0  0
   24.1580   11.5752    4.5264 H   0  0  0  0  0
   24.7792   11.8820    2.8961 H   0  0  0  0  0
   21.5582   12.8703    2.0905 H   0  0  0  0  0
   23.4144   15.9884    0.3431 H   0  0  0  0  0
   24.2187   16.1017    3.2563 H   0  0  0  0  0
   22.6240   16.7110    2.7450 H   0  0  0  0  0
   24.3284   18.2682    2.6703 H   0  0  0  0  0
   25.0118   13.9013    1.6695 H   0  0  0  0  0
   26.9184   15.8392   -1.3446 H   0  0  0  0  0
   23.8908   16.2084   -1.5557 H   0  0  0  0  0
   24.6911   14.7646   -2.1224 H   0  0  0  0  0
   26.5077   14.9856   -3.9346 H   0  0  0  0  0
   27.0508   16.1536   -6.0242 H   0  0  0  0  0
   24.4138   19.3731   -4.9431 H   0  0  0  0  0
   23.8872   18.2348   -2.8132 H   0  0  0  0  0
   26.7691   18.0555   -7.2064 H   0  0  0  0  0
   25.1873   17.5687    0.3595 H   0  0  0  0  0
   28.9346   18.9329   -0.4208 H   0  0  0  0  0
   28.7709   15.9137    0.0012 H   0  0  0  0  0
   29.1192   17.0811    1.2532 H   0  0  0  0  0
   31.1732   18.7106    0.8450 H   0  0  0  0  0
   33.5325   18.7046    0.1416 H   0  0  0  0  0
   32.8961   15.0363   -2.0176 H   0  0  0  0  0
   30.5397   15.0283   -1.3307 H   0  0  0  0  0
   34.8812   16.1183   -1.8459 H   0  0  0  0  0
   28.4493   16.7887   -2.3667 H   0  0  0  0  0
   29.2550   20.4930   -3.9132 H   0  0  0  0  0
   27.1417   20.4648   -1.7016 H   0  0  0  0  0
   26.7728   20.1368   -3.3877 H   0  0  0  0  0
   27.6932   22.3702   -4.0313 H   0  0  0  0  0
   28.0378   22.7200   -2.3425 H   0  0  0  0  0
   25.6381   22.4878   -1.7586 H   0  0  0  0  0
   25.2238   22.0905   -3.4217 H   0  0  0  0  0
   25.3440   24.5919   -2.3689 H   0  0  0  0  0
   25.9086   23.0383   -5.3375 H   0  0  0  0  0
   25.3635   26.3018   -5.1842 H   0  0  0  0  0
   26.0432   26.4212   -3.6713 H   0  0  0  0  0
   29.4082   20.8068   -1.0091 H   0  0  0  0  0
   33.0362   20.7395   -2.8128 H   0  0  0  0  0
   31.0555   19.5031   -4.7182 H   0  0  0  0  0
   31.7708   18.5858   -3.3687 H   0  0  0  0  0
   32.7876   19.3120   -4.6204 H   0  0  0  0  0
   30.8447   22.1530   -4.2441 H   0  0  0  0  0
   34.5527   23.8172   -4.5932 H   0  0  0  0  0
   34.1391   22.3129   -1.9582 H   0  0  0  0  0
   33.7777   24.0125   -2.1580 H   0  0  0  0  0
   36.5482   22.7891   -2.6470 H   0  0  0  0  0
   35.6534   25.7044   -2.2986 H   0  0  0  0  0
   36.2624   24.9772   -3.7930 H   0  0  0  0  0
   37.3326   25.1525   -2.4061 H   0  0  0  0  0
   35.4671   24.2112   -0.1572 H   0  0  0  0  0
   37.1423   23.6919   -0.4145 H   0  0  0  0  0
   35.8556   22.4864   -0.2852 H   0  0  0  0  0
   34.6868   20.9277   -3.9564 H   0  0  0  0  0
   35.7433   21.8926   -7.7518 H   0  0  0  0  0
   34.1386   24.2349   -6.7728 H   0  0  0  0  0
   33.3082   22.7015   -7.1745 H   0  0  0  0  0
   33.3396   24.2871  -10.2250 H   0  0  0  0  0
   36.4003   24.0600   -5.8369 H   0  0  0  0  0
   39.5639   22.2452   -7.5533 H   0  0  0  0  0
   37.1141   20.6311   -8.2800 H   0  0  0  0  0
   37.8550   20.5328   -6.6787 H   0  0  0  0  0
   40.0051   19.8615   -7.7318 H   0  0  0  0  0
   39.2891   19.9971   -9.3424 H   0  0  0  0  0
   37.2635   17.2076   -8.7666 H   0  0  0  0  0
   37.4305   22.8574   -9.5638 H   0  0  0  0  0
   40.7124   24.0614   -8.3475 H   0  0  0  0  0
   41.4372   22.0076  -10.5335 H   0  0  0  0  0
   41.0996   21.6160   -8.8519 H   0  0  0  0  0
   42.5466   22.5281   -9.2580 H   0  0  0  0  0
   42.0399   24.3514  -10.9385 H   0  0  0  0  0
   39.3800   26.2504   -9.3848 H   0  0  0  0  0
   41.4371   26.1446   -7.5187 H   0  0  0  0  0
   39.9269   27.0284   -7.2183 H   0  0  0  0  0
   41.6091   28.7519   -6.9202 H   0  0  0  0  0
   42.5461   28.1472   -8.2985 H   0  0  0  0  0
   39.8770   29.6198   -8.3738 H   0  0  0  0  0
   41.3107   29.8742   -9.4005 H   0  0  0  0  0
   39.6346   26.6138  -11.9525 H   0  0  0  0  0
   36.9353   28.0338  -11.5938 H   0  0  0  0  0
   37.5483   26.7870  -10.5102 H   0  0  0  0  0
   37.1634   26.3865  -12.1931 H   0  0  0  0  0
   38.1441   28.4811  -13.6609 H   0  0  0  0  0
   41.6285   27.7031  -13.0263 H   0  0  0  0  0
   41.2198   25.5793  -15.2409 H   0  0  0  0  0
   40.3714   25.4681  -13.7087 H   0  0  0  0  0
   44.3064   25.0712  -13.5778 H   0  0  0  0  0
   43.1578   27.2937  -15.0866 H   0  0  0  0  0
   40.9812   30.2079  -15.0722 H   0  0  0  0  0
   43.0169   31.0029  -12.9429 H   0  0  0  0  0
   41.5965   30.0205  -12.6932 H   0  0  0  0  0
   41.7412   32.9996  -13.3295 H   0  0  0  0  0
   41.0342   32.2429  -11.9233 H   0  0  0  0  0
   39.1906   30.9226  -12.2912 H   0  0  0  0  0
   43.4454   31.8477  -15.4062 H   0  0  0  0  0
   40.2244   30.7250  -16.7582 H   0  0  0  0  0
   41.0146   30.8666  -18.3202 H   0  0  0  0  0
   39.3461   32.8636  -16.8616 H   0  0  0  0  0
   41.5940   32.8836  -19.7711 H   0  0  0  0  0
   39.4391   30.9669  -19.9718 H   0  0  0  0  0
   41.0061   30.9220  -20.7967 H   0  0  0  0  0
   39.4769   31.0028  -22.6486 H   0  0  0  0  0
   38.3926   32.1119  -21.7819 H   0  0  0  0  0
   41.2002   32.7486  -22.8327 H   0  0  0  0  0
   39.6878   33.6255  -23.1833 H   0  0  0  0  0
   39.8387   36.0748  -19.8779 H   0  0  0  0  0
   42.8696   36.2879  -19.4331 H   0  0  0  0  0
   41.9878   34.9081  -18.8224 H   0  0  0  0  0
   39.7576   35.5439  -17.5846 H   0  0  0  0  0
   40.0488   36.7960  -16.4189 H   0  0  0  0  0
   41.9408   37.8359  -20.8701 H   0  0  0  0  0
   38.6382   38.2993  -22.9620 H   0  0  0  0  0
   38.0526   36.1694  -20.8999 H   0  0  0  0  0
   38.8926   35.8754  -22.4415 H   0  0  0  0  0
   35.9268   36.6595  -24.1701 H   0  0  0  0  0
   37.3621   38.4346  -20.3172 H   0  0  0  0  0
   39.1128   41.1106  -22.2058 H   0  0  0  0  0
   37.4809   39.5289  -23.9460 H   0  0  0  0  0
   38.7066   40.7094  -24.4370 H   0  0  0  0  0
   36.6787   41.5210  -25.4655 H   0  0  0  0  0
   35.7189   41.0965  -24.0327 H   0  0  0  0  0
   37.8008   43.3202  -24.2697 H   0  0  0  0  0
   36.1337   43.4370  -23.6475 H   0  0  0  0  0
   37.1397   42.7885  -19.5748 H   0  0  0  0  0
   40.1740   42.8892  -19.9894 H   0  0  0  0  0
   39.2398   41.4153  -20.1082 H   0  0  0  0  0
   38.4306   41.6478  -17.7816 H   0  0  0  0  0
   39.3555   43.1350  -17.5905 H   0  0  0  0  0
   41.4716   41.8973  -18.0466 H   0  0  0  0  0
   40.5563   40.3931  -18.2029 H   0  0  0  0  0
   39.7536   40.6014  -15.8558 H   0  0  0  0  0
   40.5763   42.1566  -15.6857 H   0  0  0  0  0
   41.9477   39.6288  -16.3245 H   0  0  0  0  0
   41.7964   40.2411  -14.8170 H   0  0  0  0  0
   39.1727   44.8515  -19.2242 H   0  0  0  0  0
   35.7304   46.0066  -20.3705 H   0  0  0  0  0
   35.3188   43.8292  -18.2656 H   0  0  0  0  0
   35.2818   43.6474  -20.0342 H   0  0  0  0  0
   33.5288   45.4268  -18.7538 H   0  0  0  0  0
   35.2847   46.2796  -17.4456 H   0  0  0  0  0
   35.9837   49.8060  -19.1798 H   0  0  0  0  0
   36.7140   47.7590  -20.8435 H   0  0  0  0  0
   36.3843   49.3819  -21.3827 H   0  0  0  0  0
   34.6921   48.6565  -22.6534 H   0  0  0  0  0
   34.6913   47.0401  -21.9655 H   0  0  0  0  0
   32.7027   48.9583  -21.4544 H   0  0  0  0  0
   33.0672   47.6012  -20.3612 H   0  0  0  0  0
   32.9862   52.2548  -18.4353 H   0  0  0  0  0
   35.4394   50.8401  -17.2935 H   0  0  0  0  0
   33.8258   50.5425  -16.6749 H   0  0  0  0  0
   32.5594   52.3516  -15.5245 H   0  0  0  0  0
   32.7445   54.3535  -14.1090 H   0  0  0  0  0
   36.7670   54.9863  -15.4989 H   0  0  0  0  0
   36.6003   52.9665  -16.9138 H   0  0  0  0  0
   34.0969   56.0399  -13.4487 H   0  0  0  0  0
   34.9462   53.2206  -19.0797 H   0  0  0  0  0
   35.6574   51.8303  -19.5247 H   0  0  0  0  0
  1  2  1  0  0  0
  1303  1  0  0  0
  1304  1  0  0  0
  1305  1  0  0  0
  2  3  1  0  0  0
  2306  1  0  0  0
  2307  1  0  0  0
  3  5  1  0  0  0
  3  4  1  0  0  0
  3308  1  0  0  0
  4309  1  0  0  0
  4310  1  0  0  0
  4311  1  0  0  0
  5 83  1  0  0  0
  5  6  1  0  0  0
  5312  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8313  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
  9314  1  0  0  0
 10 11  1  0  0  0
 10315  1  0  0  0
 10316  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13317  1  0  0  0
 13318  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16319  1  0  0  0
 17 22  1  0  0  0
 17 18  1  0  0  0
 17320  1  0  0  0
 18 19  1  0  0  0
 18321  1  0  0  0
 18322  1  0  0  0
 19 21  1  0  0  0
 19 20  1  0  0  0
 19323  1  0  0  0
 20324  1  0  0  0
 20325  1  0  0  0
 20326  1  0  0  0
 21327  1  0  0  0
 21328  1  0  0  0
 21329  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  1  0  0  0
 24330  1  0  0  0
 25 30  1  0  0  0
 25 26  1  0  0  0
 25331  1  0  0  0
 26 28  1  0  0  0
 26 27  1  0  0  0
 26332  1  0  0  0
 27333  1  0  0  0
 27334  1  0  0  0
 27335  1  0  0  0
 28 29  1  0  0  0
 28336  1  0  0  0
 28337  1  0  0  0
 29338  1  0  0  0
 29339  1  0  0  0
 29340  1  0  0  0
 30 32  1  0  0  0
 30 31  2  0  0  0
 32 33  1  0  0  0
 32341  1  0  0  0
 33 37  1  0  0  0
 33 34  1  0  0  0
 33342  1  0  0  0
 34 36  1  0  0  0
 34 35  1  0  0  0
 34343  1  0  0  0
 35344  1  0  0  0
 35345  1  0  0  0
 35346  1  0  0  0
 36347  1  0  0  0
 37 39  1  0  0  0
 37 38  2  0  0  0
 39 40  1  0  0  0
 39348  1  0  0  0
 40 48  1  0  0  0
 40 41  1  0  0  0
 40349  1  0  0  0
 41 42  1  0  0  0
 41350  1  0  0  0
 41351  1  0  0  0
 42 43  1  0  0  0
 42352  1  0  0  0
 42353  1  0  0  0
 43 44  1  0  0  0
 43354  1  0  0  0
 43355  1  0  0  0
 44 45  1  0  0  0
 44356  1  0  0  0
 45 47  1  0  0  0
 45 46  2  0  0  0
 46357  1  0  0  0
 47358  1  0  0  0
 47359  1  0  0  0
 48 50  1  0  0  0
 48 49  2  0  0  0
 50 51  1  0  0  0
 50360  1  0  0  0
 51 57  1  0  0  0
 51 52  1  0  0  0
 51361  1  0  0  0
 52 53  1  0  0  0
 52362  1  0  0  0
 52363  1  0  0  0
 53 54  1  0  0  0
 53364  1  0  0  0
 53365  1  0  0  0
 54 56  1  0  0  0
 54 55  2  0  0  0
 56366  1  0  0  0
 56367  1  0  0  0
 57 59  1  0  0  0
 57 58  2  0  0  0
 59 60  1  0  0  0
 59368  1  0  0  0
 60 68  1  0  0  0
 60 61  1  0  0  0
 60369  1  0  0  0
 61 62  1  0  0  0
 61370  1  0  0  0
 61371  1  0  0  0
 62 63  1  0  0  0
 62372  1  0  0  0
 62373  1  0  0  0
 63 64  1  0  0  0
 63374  1  0  0  0
 63375  1  0  0  0
 64 65  1  0  0  0
 64376  1  0  0  0
 65 67  1  0  0  0
 65 66  2  0  0  0
 66377  1  0  0  0
 67378  1  0  0  0
 67379  1  0  0  0
 68 70  1  0  0  0
 68 69  2  0  0  0
 70 71  1  0  0  0
 70380  1  0  0  0
 71 80  1  0  0  0
 71 72  1  0  0  0
 71381  1  0  0  0
 72 73  1  0  0  0
 72382  1  0  0  0
 72383  1  0  0  0
 73 74  2  0  0  0
 73 78  1  0  0  0
 74 75  1  0  0  0
 74384  1  0  0  0
 75 76  2  0  0  0
 75385  1  0  0  0
 76 77  1  0  0  0
 76 79  1  0  0  0
 77 78  2  0  0  0
 77386  1  0  0  0
 78387  1  0  0  0
 79388  1  0  0  0
 80 82  1  0  0  0
 80 81  2  0  0  0
 82389  1  0  0  0
 82390  1  0  0  0
 83 84  1  0  0  0
 83391  1  0  0  0
 84 86  1  0  0  0
 84 85  2  0  0  0
 86 95  1  0  0  0
 86 87  1  0  0  0
 86392  1  0  0  0
 87 88  1  0  0  0
 87393  1  0  0  0
 87394  1  0  0  0
 88 89  2  0  0  0
 88 93  1  0  0  0
 89 90  1  0  0  0
 89395  1  0  0  0
 90 91  2  0  0  0
 90396  1  0  0  0
 91 92  1  0  0  0
 91 94  1  0  0  0
 92 93  2  0  0  0
 92397  1  0  0  0
 93398  1  0  0  0
 94399  1  0  0  0
 95 96  1  0  0  0
 95400  1  0  0  0
 96 98  1  0  0  0
 96 97  2  0  0  0
 98105  1  0  0  0
 98 99  1  0  0  0
 98401  1  0  0  0
 99100  1  0  0  0
 99402  1  0  0  0
 99403  1  0  0  0
100101  2  0  0  0
100104  1  0  0  0
101102  1  0  0  0
101404  1  0  0  0
102103  2  0  0  0
103104  1  0  0  0
103405  1  0  0  0
104406  1  0  0  0
105106  1  0  0  0
105407  1  0  0  0
106108  1  0  0  0
106107  2  0  0  0
108116  1  0  0  0
108109  1  0  0  0
108408  1  0  0  0
109110  1  0  0  0
109409  1  0  0  0
109410  1  0  0  0
110111  1  0  0  0
110411  1  0  0  0
110412  1  0  0  0
111112  1  0  0  0
111413  1  0  0  0
111414  1  0  0  0
112113  1  0  0  0
112415  1  0  0  0
113115  1  0  0  0
113114  2  0  0  0
114416  1  0  0  0
115417  1  0  0  0
115418  1  0  0  0
116117  1  0  0  0
116419  1  0  0  0
117119  1  0  0  0
117118  2  0  0  0
119124  1  0  0  0
119120  1  0  0  0
119420  1  0  0  0
120121  1  0  0  0
120421  1  0  0  0
120422  1  0  0  0
121123  1  0  0  0
121122  1  0  0  0
121423  1  0  0  0
122424  1  0  0  0
122425  1  0  0  0
122426  1  0  0  0
123427  1  0  0  0
123428  1  0  0  0
123429  1  0  0  0
124125  1  0  0  0
124430  1  0  0  0
125127  1  0  0  0
125126  2  0  0  0
127129  1  0  0  0
127128  1  0  0  0
127431  1  0  0  0
128432  1  0  0  0
128433  1  0  0  0
128434  1  0  0  0
129130  1  0  0  0
129435  1  0  0  0
130132  1  0  0  0
130131  2  0  0  0
132135  1  0  0  0
132133  1  0  0  0
132436  1  0  0  0
133134  1  0  0  0
133437  1  0  0  0
133438  1  0  0  0
134439  1  0  0  0
135136  1  0  0  0
135440  1  0  0  0
136138  1  0  0  0
136137  2  0  0  0
138147  1  0  0  0
138139  1  0  0  0
138441  1  0  0  0
139140  1  0  0  0
139442  1  0  0  0
139443  1  0  0  0
140141  2  0  0  0
140145  1  0  0  0
141142  1  0  0  0
141444  1  0  0  0
142143  2  0  0  0
142445  1  0  0  0
143144  1  0  0  0
143146  1  0  0  0
144145  2  0  0  0
144446  1  0  0  0
145447  1  0  0  0
146448  1  0  0  0
147148  1  0  0  0
147449  1  0  0  0
148150  1  0  0  0
148149  2  0  0  0
150159  1  0  0  0
150151  1  0  0  0
150450  1  0  0  0
151152  1  0  0  0
151451  1  0  0  0
151452  1  0  0  0
152153  2  0  0  0
152157  1  0  0  0
153154  1  0  0  0
153453  1  0  0  0
154155  2  0  0  0
154454  1  0  0  0
155156  1  0  0  0
155158  1  0  0  0
156157  2  0  0  0
156455  1  0  0  0
157456  1  0  0  0
158457  1  0  0  0
159160  1  0  0  0
159458  1  0  0  0
160162  1  0  0  0
160161  2  0  0  0
162170  1  0  0  0
162163  1  0  0  0
162459  1  0  0  0
163164  1  0  0  0
163460  1  0  0  0
163461  1  0  0  0
164165  1  0  0  0
164462  1  0  0  0
164463  1  0  0  0
165166  1  0  0  0
165464  1  0  0  0
165465  1  0  0  0
166167  1  0  0  0
166466  1  0  0  0
167169  1  0  0  0
167168  2  0  0  0
168467  1  0  0  0
169468  1  0  0  0
169469  1  0  0  0
170171  1  0  0  0
170470  1  0  0  0
171173  1  0  0  0
171172  2  0  0  0
173175  1  0  0  0
173174  1  0  0  0
173471  1  0  0  0
174472  1  0  0  0
174473  1  0  0  0
174474  1  0  0  0
175176  1  0  0  0
175475  1  0  0  0
176178  1  0  0  0
176177  2  0  0  0
178183  1  0  0  0
178179  1  0  0  0
178476  1  0  0  0
179180  1  0  0  0
179477  1  0  0  0
179478  1  0  0  0
180182  1  0  0  0
180181  1  0  0  0
180479  1  0  0  0
181480  1  0  0  0
181481  1  0  0  0
181482  1  0  0  0
182483  1  0  0  0
182484  1  0  0  0
182485  1  0  0  0
183184  1  0  0  0
183486  1  0  0  0
184186  1  0  0  0
184185  2  0  0  0
186191  1  0  0  0
186187  1  0  0  0
186487  1  0  0  0
187188  1  0  0  0
187488  1  0  0  0
187489  1  0  0  0
188190  1  0  0  0
188189  2  0  0  0
190490  1  0  0  0
191192  1  0  0  0
191491  1  0  0  0
192194  1  0  0  0
192193  2  0  0  0
194200  1  0  0  0
194195  1  0  0  0
194492  1  0  0  0
195196  1  0  0  0
195493  1  0  0  0
195494  1  0  0  0
196197  1  0  0  0
196495  1  0  0  0
196496  1  0  0  0
197199  1  0  0  0
197198  2  0  0  0
199497  1  0  0  0
200201  1  0  0  0
200498  1  0  0  0
201203  1  0  0  0
201202  2  0  0  0
203205  1  0  0  0
203204  1  0  0  0
203499  1  0  0  0
204500  1  0  0  0
204501  1  0  0  0
204502  1  0  0  0
205206  1  0  0  0
205503  1  0  0  0
206208  1  0  0  0
206207  2  0  0  0
208212  1  0  0  0
208209  1  0  0  0
208504  1  0  0  0
209210  1  0  0  0
209505  1  0  0  0
209506  1  0  0  0
210211  1  0  0  0
210507  1  0  0  0
210508  1  0  0  0
211212  1  0  0  0
211509  1  0  0  0
211510  1  0  0  0
212213  1  0  0  0
213215  1  0  0  0
213214  2  0  0  0
215217  1  0  0  0
215216  1  0  0  0
215511  1  0  0  0
216512  1  0  0  0
216513  1  0  0  0
216514  1  0  0  0
217218  1  0  0  0
217515  1  0  0  0
218220  1  0  0  0
218219  2  0  0  0
220225  1  0  0  0
220221  1  0  0  0
220516  1  0  0  0
221222  1  0  0  0
221517  1  0  0  0
221518  1  0  0  0
222224  1  0  0  0
222223  2  0  0  0
224519  1  0  0  0
225226  1  0  0  0
225520  1  0  0  0
226228  1  0  0  0
226227  2  0  0  0
228234  1  0  0  0
228229  1  0  0  0
228521  1  0  0  0
229230  1  0  0  0
229522  1  0  0  0
229523  1  0  0  0
230231  1  0  0  0
230524  1  0  0  0
230525  1  0  0  0
231233  1  0  0  0
231232  2  0  0  0
233526  1  0  0  0
234235  1  0  0  0
234527  1  0  0  0
235237  1  0  0  0
235236  2  0  0  0
237238  1  0  0  0
237528  1  0  0  0
237529  1  0  0  0
238239  1  0  0  0
238530  1  0  0  0
239241  1  0  0  0
239240  2  0  0  0
241245  1  0  0  0
241242  1  0  0  0
241531  1  0  0  0
242243  1  0  0  0
242532  1  0  0  0
242533  1  0  0  0
243244  1  0  0  0
243534  1  0  0  0
243535  1  0  0  0
244245  1  0  0  0
244536  1  0  0  0
244537  1  0  0  0
245246  1  0  0  0
246248  1  0  0  0
246247  2  0  0  0
248253  1  0  0  0
248249  1  0  0  0
248538  1  0  0  0
249250  1  0  0  0
249539  1  0  0  0
249540  1  0  0  0
250252  1  0  0  0
250251  2  0  0  0
252541  1  0  0  0
252542  1  0  0  0
253254  1  0  0  0
253543  1  0  0  0
254256  1  0  0  0
254255  2  0  0  0
256261  1  0  0  0
256257  1  0  0  0
256544  1  0  0  0
257258  1  0  0  0
257545  1  0  0  0
257546  1  0  0  0
258260  1  0  0  0
258259  2  0  0  0
260547  1  0  0  0
261262  1  0  0  0
261548  1  0  0  0
262264  1  0  0  0
262263  2  0  0  0
264268  1  0  0  0
264265  1  0  0  0
264549  1  0  0  0
265266  1  0  0  0
265550  1  0  0  0
265551  1  0  0  0
266267  1  0  0  0
266552  1  0  0  0
266553  1  0  0  0
267268  1  0  0  0
267554  1  0  0  0
267555  1  0  0  0
268269  1  0  0  0
269271  1  0  0  0
269270  2  0  0  0
271277  1  0  0  0
271272  1  0  0  0
271556  1  0  0  0
272273  1  0  0  0
272557  1  0  0  0
272558  1  0  0  0
273274  1  0  0  0
273559  1  0  0  0
273560  1  0  0  0
274275  1  0  0  0
274561  1  0  0  0
274562  1  0  0  0
275276  1  0  0  0
275563  1  0  0  0
275564  1  0  0  0
276565  1  0  0  0
276566  1  0  0  0
277278  1  0  0  0
277567  1  0  0  0
278280  1  0  0  0
278279  2  0  0  0
280283  1  0  0  0
280281  1  0  0  0
280568  1  0  0  0
281282  1  0  0  0
281569  1  0  0  0
281570  1  0  0  0
282571  1  0  0  0
283284  1  0  0  0
283572  1  0  0  0
284286  1  0  0  0
284285  2  0  0  0
286290  1  0  0  0
286287  1  0  0  0
286573  1  0  0  0
287288  1  0  0  0
287574  1  0  0  0
287575  1  0  0  0
288289  1  0  0  0
288576  1  0  0  0
288577  1  0  0  0
289290  1  0  0  0
289578  1  0  0  0
289579  1  0  0  0
290291  1  0  0  0
291293  1  0  0  0
291292  2  0  0  0
293302  1  0  0  0
293294  1  0  0  0
293580  1  0  0  0
294295  1  0  0  0
294581  1  0  0  0
294582  1  0  0  0
295296  2  0  0  0
295300  1  0  0  0
296297  1  0  0  0
296583  1  0  0  0
297298  2  0  0  0
297584  1  0  0  0
298299  1  0  0  0
298301  1  0  0  0
299300  2  0  0  0
299585  1  0  0  0
300586  1  0  0  0
301587  1  0  0  0
302588  1  0  0  0
302589  1  0  0  0
M  END

>  <Chemical Name>
Nucleopeptide Y

>  <PubChem CID>
16132350

>  <Formula>
C190H287N55O57

>  <Molecular Weight>
4253.714000

>  <IUPAC Name>
(4S)-5-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-[[2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-5-oxopentanoic acid

>  <XlogP>
-15.5

>  <Hydrogen Bond Donors>
63

>  <Hydrogen Bond Acceptors>
64

>  <Canonical SMILES>
CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(C(C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CN=CN3)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C6CCCN6C(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)CNC(=O)C7CCCN7C(=O)C(CC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C8CCCN8C(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C9CCCN9C(=O)C(CC1=CC=C(C=C1)O)N

>  <Isomeric SMILES>
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]7CCCN7C(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]8CCCN8C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]9CCCN9C(=O)[C@H](CC1=CC=C(C=C1)O)N

>  <InChI Std. ID>
InChI=1S/C190H287N55O57/c1-16-94(9)149(180(296)235-129(81-141(194)255)169(285)227-124(74-93(7)8)172(288)240-150(95(10)17-2)181(297)241-151(100(15)248)182(298)222-116(32-23-67-209-190(203)204)156(272)221-118(57-60-140(193)254)161(277)219-114(30-21-65-207-188(199)200)157(273)224-121(152(196)268)76-102-39-49-108(250)50-40-102)239-173(289)127(79-105-45-55-111(253)56-46-105)230-168(284)128(80-106-86-205-90-211-106)231-159(275)115(31-22-66-208-189(201)202)220-165(281)123(73-92(5)6)225-155(271)97(12)213-174(290)134(88-246)237-167(283)126(78-104-43-53-110(252)54-44-104)229-166(282)125(77-103-41-51-109(251)52-42-103)228-158(274)113(29-20-64-206-187(197)198)217-153(269)96(11)212-163(279)122(72-91(3)4)226-170(286)131(84-147(264)265)233-162(278)119(59-62-145(260)261)218-154(270)98(13)214-177(293)137-34-25-68-242(137)183(299)99(14)215-164(280)130(83-146(262)263)232-160(276)117(58-61-144(258)259)216-143(257)87-210-176(292)136-33-24-70-244(136)186(302)133(82-142(195)256)236-171(287)132(85-148(266)267)234-178(294)139-36-27-71-245(139)185(301)120(28-18-19-63-191)223-175(291)135(89-247)238-179(295)138-35-26-69-243(138)184(300)112(192)75-101-37-47-107(249)48-38-101/h37-56,86,90-100,112-139,149-151,246-253H,16-36,57-85,87-89,191-192H2,1-15H3,(H2,193,254)(H2,194,255)(H2,195,256)(H2,196,268)(H,205,211)(H,210,292)(H,212,279)(H,213,290)(H,214,293)(H,215,280)(H,216,257)(H,217,269)(H,218,270)(H,219,277)(H,220,281)(H,221,272)(H,222,298)(H,223,291)(H,224,273)(H,225,271)(H,226,286)(H,227,285)(H,228,274)(H,229,282)(H,230,284)(H,231,275)(H,232,276)(H,233,278)(H,234,294)(H,235,296)(H,236,287)(H,237,283)(H,238,295)(H,239,289)(H,240,288)(H,241,297)(H,258,259)(H,260,261)(H,262,263)(H,264,265)(H,266,267)(H4,197,198,206)(H4,199,200,207)(H4,201,202,208)(H4,203,204,209)/t94-,95-,96-,97-,98-,99-,100+,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,149-,150-,151-/m0/s1

>  <InChI Key>
URPYMXQQVHTUDU-OFGSCBOVSA-N

