
 Bam 22P

385393  0  0  0  0  0  0  0  0999 V2000
  -11.8070   15.6307    3.2301 C   0  0  0  0  0
  -10.3928   15.8560    3.7747 C   0  0  0  0  0
   -9.8134   17.1320    3.1469 C   0  0  0  0  0
  -10.3821   15.9522    5.3190 C   0  0  0  0  0
  -11.1240   14.7894    6.0311 C   0  0  0  0  0
  -12.1779   15.0404    6.6257 O   0  0  0  0  0
  -10.6466   13.5159    6.0325 N   0  0  0  0  0
   -9.3228   13.1062    5.6287 C   0  0  0  0  0
   -9.0411   11.6154    5.7552 C   0  0  0  0  0
   -9.7896   10.8531    6.3658 O   0  0  0  0  0
   -7.8638   11.1309    5.2427 N   0  0  0  0  0
   -7.0631   11.6780    4.1327 C   0  0  0  0  0
   -7.8257   11.6692    2.7946 C   0  0  0  0  0
   -8.0932   10.2430    2.3012 C   0  0  0  0  0
   -8.8231   10.2341    0.9601 C   0  0  0  0  0
   -8.9384    8.8775    0.4664 N   0  0  0  0  0
   -9.9061    8.0007    0.8026 C   0  0  0  0  0
  -10.8056    8.0924    1.7074 N   0  0  0  0  0
   -9.8424    6.8864    0.0497 N   0  0  0  0  0
   -6.4569   13.0815    4.4389 C   0  0  0  0  0
   -7.0878   14.1148    4.1821 O   0  0  0  0  0
   -5.2553   13.1512    5.1096 N   0  0  0  0  0
   -4.6900   14.4363    5.4872 C   0  0  0  0  0
   -3.2643   14.1260    5.9140 C   0  0  0  0  0
   -3.3633   12.6966    6.4373 C   0  0  0  0  0
   -4.3617   12.0472    5.4775 C   0  0  0  0  0
   -3.6721   11.4688    4.2192 C   0  0  0  0  0
   -4.0198   11.7753    3.0794 O   0  0  0  0  0
   -2.7309   10.4936    4.4571 N   0  0  0  0  0
   -2.2725    9.6131    3.3818 C   0  0  0  0  0
   -0.8084    9.8701    3.0201 C   0  0  0  0  0
   -0.6682   11.0789    2.0972 C   0  0  0  0  0
    0.6173   11.0337    1.3220 C   0  0  0  0  0
    1.6343   11.6529    1.5831 O   0  0  0  0  0
    0.5526   10.2071    0.2580 O   0  0  0  0  0
   -2.4765    8.1686    3.8761 C   0  0  0  0  0
   -2.3490    7.8975    5.0749 O   0  0  0  0  0
   -2.7461    7.1547    3.0000 N   0  0  0  0  0
   -3.3885    7.2426    1.6714 C   0  0  0  0  0
   -4.8211    7.8070    1.7176 C   0  0  0  0  0
   -5.7870    6.9169    2.4452 C   0  0  0  0  0
   -6.4544    5.8327    1.9067 C   0  0  0  0  0
   -7.2794    5.3142    2.8678 N   0  0  0  0  0
   -7.1539    6.0261    4.0366 C   0  0  0  0  0
   -7.7999    5.8550    5.2667 C   0  0  0  0  0
   -7.4723    6.7359    6.3006 C   0  0  0  0  0
   -6.5346    7.7459    6.1099 C   0  0  0  0  0
   -5.9080    7.9084    4.8693 C   0  0  0  0  0
   -6.2184    7.0343    3.8070 C   0  0  0  0  0
   -2.5066    8.0269    0.6883 C   0  0  0  0  0
   -2.8921    9.0713    0.1580 O   0  0  0  0  0
   -1.2197    7.6404    0.4348 N   0  0  0  0  0
   -0.7272    6.2789    0.1488 C   0  0  0  0  0
   -0.8655    5.2339    1.2619 C   0  0  0  0  0
   -0.0104    4.0178    1.0332 C   0  0  0  0  0
   -0.4430    2.7909    0.5674 C   0  0  0  0  0
    0.6298    1.9418    0.5220 N   0  0  0  0  0
    1.7706    2.5963    0.9226 C   0  0  0  0  0
    3.0897    2.1352    1.0142 C   0  0  0  0  0
    4.0602    3.0354    1.4630 C   0  0  0  0  0
    3.7214    4.3401    1.8119 C   0  0  0  0  0
    2.3966    4.7820    1.7213 C   0  0  0  0  0
    1.3988    3.8979    1.2631 C   0  0  0  0  0
   -1.4467    5.8642   -1.1454 C   0  0  0  0  0
   -2.6245    5.4901   -1.1288 O   0  0  0  0  0
   -0.8693    6.0561   -2.3668 N   0  0  0  0  0
    0.4957    6.4549   -2.7444 C   0  0  0  0  0
    0.8055    7.9143   -2.3817 C   0  0  0  0  0
    1.9801    8.4682   -3.1899 C   0  0  0  0  0
    2.3597   10.1572   -2.6102 S   0  0  0  0  0
    3.7322   10.5183   -3.7344 C   0  0  0  0  0
    1.5108    5.4568   -2.1566 C   0  0  0  0  0
    2.4677    5.8387   -1.4789 O   0  0  0  0  0
    1.3733    4.1098   -2.3434 N   0  0  0  0  0
    1.0263    3.3838   -3.5816 C   0  0  0  0  0
   -0.3097    3.7031   -4.2319 C   0  0  0  0  0
   -0.6616    2.6480   -5.2398 C   0  0  0  0  0
   -0.0488    2.3969   -6.2633 O   0  0  0  0  0
   -1.7787    1.9719   -4.9181 O   0  0  0  0  0
    2.2049    3.6396   -4.5318 C   0  0  0  0  0
    2.3536    4.7485   -5.0566 O   0  0  0  0  0
    3.1901    2.7158   -4.7084 N   0  0  0  0  0
    3.3138    1.3062   -4.2845 C   0  0  0  0  0
    3.3972    1.1293   -2.7578 C   0  0  0  0  0
    3.9407   -0.2253   -2.3596 C   0  0  0  0  0
    5.3235   -0.4384   -2.2693 C   0  0  0  0  0
    5.8263   -1.6970   -1.9308 C   0  0  0  0  0
    4.9443   -2.7437   -1.6851 C   0  0  0  0  0
    3.5716   -2.5515   -1.7700 C   0  0  0  0  0
    3.0691   -1.2945   -2.1070 C   0  0  0  0  0
    5.3921   -3.9894   -1.3585 O   0  0  0  0  0
    2.1743    0.5049   -4.9377 C   0  0  0  0  0
    1.1419    0.2289   -4.3154 O   0  0  0  0  0
    2.1875    0.1955   -6.2621 N   0  0  0  0  0
    3.2641    0.0878   -7.2541 C   0  0  0  0  0
    4.1116    1.3435   -7.4677 C   0  0  0  0  0
    4.8974    1.2664   -8.7799 C   0  0  0  0  0
    5.8995    2.3908   -8.8756 C   0  0  0  0  0
    5.7496    3.3730   -9.5906 O   0  0  0  0  0
    6.9955    2.2565   -8.0757 N   0  0  0  0  0
    4.1126   -1.1357   -6.8669 C   0  0  0  0  0
    5.0965   -1.0186   -6.1284 O   0  0  0  0  0
    3.7525   -2.4007   -7.2236 N   0  0  0  0  0
    2.8521   -2.9037   -8.2750 C   0  0  0  0  0
    1.3850   -2.4905   -8.1021 C   0  0  0  0  0
    0.4340   -3.3715   -8.9228 C   0  0  0  0  0
   -1.0172   -2.9128   -8.7497 C   0  0  0  0  0
   -1.9737   -3.7468   -9.5993 C   0  0  0  0  0
   -3.3402   -3.2699   -9.4264 N   0  0  0  0  0
    3.4489   -2.4918   -9.6349 C   0  0  0  0  0
    3.1857   -1.3986  -10.1451 O   0  0  0  0  0
    4.4024   -3.2328  -10.2608 N   0  0  0  0  0
    4.8754   -4.6101  -10.0672 C   0  0  0  0  0
    5.4660   -4.8708   -8.6742 C   0  0  0  0  0
    6.4718   -6.0254   -8.7020 C   0  0  0  0  0
    7.0336   -6.3165   -7.3109 C   0  0  0  0  0
    8.0788   -7.3049   -7.4128 N   0  0  0  0  0
    9.3718   -7.0896   -7.7175 C   0  0  0  0  0
    9.9932   -5.9741   -7.8102 N   0  0  0  0  0
   10.0351   -8.2353   -7.9579 N   0  0  0  0  0
    3.7273   -5.5677  -10.4422 C   0  0  0  0  0
    2.9444   -5.9913   -9.5856 O   0  0  0  0  0
    3.4336   -5.8739  -11.7376 N   0  0  0  0  0
    4.2238   -5.7835  -12.9795 C   0  0  0  0  0
    4.7503   -4.3867  -13.3417 C   0  0  0  0  0
    5.1228   -4.2878  -14.8044 C   0  0  0  0  0
    4.1697   -3.8928  -15.7538 C   0  0  0  0  0
    4.4972   -3.8525  -17.1107 C   0  0  0  0  0
    5.7786   -4.2095  -17.5171 C   0  0  0  0  0
    6.7379   -4.5953  -16.5898 C   0  0  0  0  0
    6.4126   -4.6339  -15.2339 C   0  0  0  0  0
    6.1356   -4.1970  -18.8330 O   0  0  0  0  0
    5.3502   -6.8290  -12.8851 C   0  0  0  0  0
    6.4125   -6.5830  -12.3080 O   0  0  0  0  0
    5.1346   -8.1102  -13.3011 N   0  0  0  0  0
    4.0013   -8.6630  -14.0251 C   0  0  0  0  0
    4.1492   -8.4519  -15.5211 C   0  0  0  0  0
    3.9158   -7.4178  -16.1217 O   0  0  0  0  0
    4.6912   -9.5139  -16.1494 O   0  0  0  0  0
   -9.0231   16.1122    5.8484 N   0  0  0  0  0
   -8.5762   16.6682    7.0080 C   0  0  0  0  0
   -7.3685   16.5718    7.2585 O   0  0  0  0  0
   -9.4949   17.4228    8.0091 C   0  0  0  0  0
  -10.1136   18.6880    7.3965 C   0  0  0  0  0
  -10.5531   19.6811    8.4744 C   0  0  0  0  0
  -11.1193   20.9670    7.8766 C   0  0  0  0  0
  -11.5370   21.8539    8.9464 N   0  0  0  0  0
  -12.1878   23.0166    8.7270 C   0  0  0  0  0
  -12.2105   23.7200    7.6574 N   0  0  0  0  0
  -12.8803   23.4163    9.8075 N   0  0  0  0  0
  -10.4964   16.5420    8.6150 N   0  0  0  0  0
  -10.1613   15.6175    9.5751 C   0  0  0  0  0
  -10.3579   14.4252    9.3413 O   0  0  0  0  0
   -9.5169   16.0681   10.9075 C   0  0  0  0  0
   -7.9994   15.8280   10.8660 C   0  0  0  0  0
   -7.3775   15.8851   12.2652 C   0  0  0  0  0
   -5.8781   15.5914   12.2251 C   0  0  0  0  0
   -5.3243   15.6476   13.5640 N   0  0  0  0  0
   -5.3274   14.6222   14.4428 C   0  0  0  0  0
   -5.9485   13.5058   14.3767 N   0  0  0  0  0
   -4.5611   14.8891   15.5165 N   0  0  0  0  0
   -9.8300   17.4574   11.2443 N   0  0  0  0  0
  -10.9487   18.0593   11.7094 C   0  0  0  0  0
  -10.9075   19.3001   11.7044 O   0  0  0  0  0
  -12.1751   17.3663   12.3618 C   0  0  0  0  0
  -12.4389   15.8842   12.1153 C   0  0  0  0  0
  -13.8634   15.4916   12.5171 C   0  0  0  0  0
  -14.1338   13.7206   12.2113 S   0  0  0  0  0
  -15.9078   13.6577   12.5670 C   0  0  0  0  0
  -12.0719   17.6464   13.7987 N   0  0  0  0  0
  -12.5944   18.6780   14.5211 C   0  0  0  0  0
  -12.0452   18.9477   15.5940 O   0  0  0  0  0
  -13.8052   19.5119   14.0464 C   0  0  0  0  0
  -13.3850   20.5714   13.0175 C   0  0  0  0  0
  -14.3764   21.7095   12.9356 C   0  0  0  0  0
  -14.3089   22.7715   13.8483 C   0  0  0  0  0
  -15.2359   23.8127   13.7894 C   0  0  0  0  0
  -16.2377   23.8016   12.8212 C   0  0  0  0  0
  -16.3128   22.7508   11.9096 C   0  0  0  0  0
  -15.3874   21.7083   11.9656 C   0  0  0  0  0
  -14.8922   18.6516   13.5650 N   0  0  0  0  0
  -15.8135   17.9669   14.3038 C   0  0  0  0  0
  -16.6712   17.3106   13.7106 O   0  0  0  0  0
  -15.8207   18.1006   15.8267 C   0  0  0  0  0
  -16.7776   19.1254   16.2086 N   0  0  0  0  0
  -18.0553   18.9460   16.6606 C   0  0  0  0  0
  -18.7912   19.9296   16.7480 O   0  0  0  0  0
  -18.5023   17.5328   17.0534 C   0  0  0  0  0
  -19.7449   17.5706   17.8085 N   0  0  0  0  0
  -21.0139   17.2818   17.4143 C   0  0  0  0  0
  -21.9324   17.5345   18.2012 O   0  0  0  0  0
  -21.3197   16.6508   16.0455 C   0  0  0  0  0
  -21.1387   17.6745   14.9124 C   0  0  0  0  0
  -21.9432   17.3108   13.6830 C   0  0  0  0  0
  -23.3130   17.6104   13.6227 C   0  0  0  0  0
  -24.0716   17.2432   12.5096 C   0  0  0  0  0
  -23.4582   16.5744   11.4558 C   0  0  0  0  0
  -22.1021   16.2726   11.4965 C   0  0  0  0  0
  -21.3431   16.6404   12.6086 C   0  0  0  0  0
  -24.1629   16.1916   10.3528 O   0  0  0  0  0
  -20.5369   15.4055   15.8504 N   0  0  0  0  0
  -12.2123   14.6694    3.5607 H   0  0  0  0  0
  -11.8042   15.6210    2.1347 H   0  0  0  0  0
  -12.4895   16.4219    3.5586 H   0  0  0  0  0
   -9.7693   15.0232    3.4372 H   0  0  0  0  0
  -10.3853   18.0170    3.4464 H   0  0  0  0  0
   -9.8347   17.0708    2.0534 H   0  0  0  0  0
   -8.7707   17.2841    3.4441 H   0  0  0  0  0
  -10.9385   16.8512    5.5870 H   0  0  0  0  0
  -11.1600   12.8680    6.6263 H   0  0  0  0  0
   -8.5989   13.6266    6.2597 H   0  0  0  0  0
   -9.2334   13.3913    4.5882 H   0  0  0  0  0
   -7.8277   10.1211    5.3516 H   0  0  0  0  0
   -6.2375   10.9720    4.0250 H   0  0  0  0  0
   -7.2301   12.1991    2.0401 H   0  0  0  0  0
   -8.7766   12.2055    2.8713 H   0  0  0  0  0
   -8.6773    9.6893    3.0452 H   0  0  0  0  0
   -7.1392    9.7152    2.1950 H   0  0  0  0  0
   -8.2493   10.8186    0.2315 H   0  0  0  0  0
   -9.8085   10.7067    1.0412 H   0  0  0  0  0
   -8.6313    8.7675   -0.4940 H   0  0  0  0  0
  -10.7093    8.9806    2.1994 H   0  0  0  0  0
   -8.9071    6.5010    0.0323 H   0  0  0  0  0
  -10.5006    6.2082    0.4211 H   0  0  0  0  0
   -5.2803   14.8273    6.3227 H   0  0  0  0  0
   -4.7363   15.1468    4.6562 H   0  0  0  0  0
   -2.5959   14.1584    5.0451 H   0  0  0  0  0
   -2.8869   14.8296    6.6609 H   0  0  0  0  0
   -2.3859   12.2088    6.4789 H   0  0  0  0  0
   -3.7811   12.7105    7.4517 H   0  0  0  0  0
   -4.9316   11.2451    5.9573 H   0  0  0  0  0
   -2.5817   10.1423    5.3997 H   0  0  0  0  0
   -2.9129    9.7802    2.5197 H   0  0  0  0  0
   -0.3750    8.9830    2.5464 H   0  0  0  0  0
   -0.2109   10.0345    3.9265 H   0  0  0  0  0
   -0.6966   12.0106    2.6734 H   0  0  0  0  0
   -1.4866   11.1423    1.3710 H   0  0  0  0  0
    1.3984   10.3546   -0.2277 H   0  0  0  0  0
   -2.9310    6.2922    3.5021 H   0  0  0  0  0
   -3.4608    6.2192    1.2958 H   0  0  0  0  0
   -5.1935    7.9435    0.6930 H   0  0  0  0  0
   -4.8386    8.8029    2.1729 H   0  0  0  0  0
   -6.4210    5.3961    0.9170 H   0  0  0  0  0
   -7.8991    4.5250    2.7471 H   0  0  0  0  0
   -8.5333    5.0696    5.4193 H   0  0  0  0  0
   -7.9583    6.6278    7.2682 H   0  0  0  0  0
   -6.2878    8.4109    6.9338 H   0  0  0  0  0
   -5.1798    8.6985    4.7350 H   0  0  0  0  0
   -0.7761    8.3603   -0.1310 H   0  0  0  0  0
    0.3371    6.4144   -0.0382 H   0  0  0  0  0
   -1.8979    4.8911    1.3724 H   0  0  0  0  0
   -0.5736    5.6792    2.2208 H   0  0  0  0  0
   -1.4277    2.4472    0.2771 H   0  0  0  0  0
    0.5955    0.9722    0.2383 H   0  0  0  0  0
    3.3573    1.1161    0.7525 H   0  0  0  0  0
    5.0952    2.7115    1.5454 H   0  0  0  0  0
    4.4913    5.0268    2.1554 H   0  0  0  0  0
    2.1504    5.8050    1.9892 H   0  0  0  0  0
   -1.5252    5.8919   -3.1206 H   0  0  0  0  0
    0.5418    6.3710   -3.8340 H   0  0  0  0  0
    1.0410    7.9976   -1.3168 H   0  0  0  0  0
   -0.0845    8.5301   -2.5670 H   0  0  0  0  0
    1.7223    8.5044   -4.2533 H   0  0  0  0  0
    2.8736    7.8498   -3.0675 H   0  0  0  0  0
    4.1071   11.5252   -3.5334 H   0  0  0  0  0
    3.3944   10.4736   -4.7730 H   0  0  0  0  0
    4.5470    9.8061   -3.5807 H   0  0  0  0  0
    2.0920    3.6506   -1.7911 H   0  0  0  0  0
    0.9947    2.3434   -3.2742 H   0  0  0  0  0
   -0.3283    4.6574   -4.7636 H   0  0  0  0  0
   -1.0985    3.7187   -3.4727 H   0  0  0  0  0
   -1.8821    1.3078   -5.6319 H   0  0  0  0  0
    3.9197    3.0708   -5.3156 H   0  0  0  0  0
    4.2610    0.9576   -4.7005 H   0  0  0  0  0
    2.4294    1.2623   -2.2659 H   0  0  0  0  0
    4.0483    1.9043   -2.3318 H   0  0  0  0  0
    6.0205    0.3730   -2.4683 H   0  0  0  0  0
    6.9006   -1.8405   -1.8715 H   0  0  0  0  0
    2.8941   -3.3787   -1.5784 H   0  0  0  0  0
    1.9914   -1.1614   -2.1808 H   0  0  0  0  0
    6.3616   -3.9643   -1.3035 H   0  0  0  0  0
    1.3089   -0.2269   -6.5330 H   0  0  0  0  0
    2.7529   -0.0979   -8.1955 H   0  0  0  0  0
    4.8173    1.4929   -6.6471 H   0  0  0  0  0
    3.4657    2.2296   -7.4989 H   0  0  0  0  0
    4.2206    1.3276   -9.6395 H   0  0  0  0  0
    5.4409    0.3181   -8.8642 H   0  0  0  0  0
    7.2116    1.4019   -7.5802 H   0  0  0  0  0
    7.7126    2.9672   -8.1490 H   0  0  0  0  0
    4.3844   -3.0806   -6.8198 H   0  0  0  0  0
    2.8862   -3.9877   -8.1758 H   0  0  0  0  0
    1.2197   -1.4555   -8.4104 H   0  0  0  0  0
    1.1085   -2.5627   -7.0428 H   0  0  0  0  0
    0.5293   -4.4166   -8.6053 H   0  0  0  0  0
    0.7084   -3.3263   -9.9834 H   0  0  0  0  0
   -1.1013   -1.8556   -9.0325 H   0  0  0  0  0
   -1.2979   -2.9853   -7.6912 H   0  0  0  0  0
   -1.9160   -4.8027   -9.3141 H   0  0  0  0  0
   -1.7007   -3.6702  -10.6572 H   0  0  0  0  0
   -3.6301   -3.3930   -8.4570 H   0  0  0  0  0
   -3.9732   -3.8401   -9.9863 H   0  0  0  0  0
    4.7262   -2.7634  -11.0985 H   0  0  0  0  0
    5.6883   -4.7326  -10.7821 H   0  0  0  0  0
    4.6895   -5.1088   -7.9414 H   0  0  0  0  0
    5.9848   -3.9709   -8.3211 H   0  0  0  0  0
    7.2906   -5.7737   -9.3878 H   0  0  0  0  0
    5.9961   -6.9309   -9.0989 H   0  0  0  0  0
    6.2369   -6.7042   -6.6656 H   0  0  0  0  0
    7.4033   -5.4020   -6.8342 H   0  0  0  0  0
    7.8209   -8.2604   -7.2008 H   0  0  0  0  0
    9.3582   -5.2100   -7.5845 H   0  0  0  0  0
    9.5642   -8.8276   -8.6286 H   0  0  0  0  0
   10.9676   -8.0081   -8.2919 H   0  0  0  0  0
    2.6389   -6.5012  -11.7784 H   0  0  0  0  0
    3.5229   -6.0813  -13.7650 H   0  0  0  0  0
    5.6324   -4.1065  -12.7587 H   0  0  0  0  0
    3.9850   -3.6313  -13.1238 H   0  0  0  0  0
    3.1620   -3.6224  -15.4461 H   0  0  0  0  0
    3.7421   -3.5515  -17.8296 H   0  0  0  0  0
    7.7355   -4.8681  -16.9218 H   0  0  0  0  0
    7.1739   -4.9418  -14.5191 H   0  0  0  0  0
    5.3736   -3.8960  -19.3546 H   0  0  0  0  0
    5.9573   -8.6973  -13.2174 H   0  0  0  0  0
    3.0638   -8.2093  -13.6931 H   0  0  0  0  0
    3.9472   -9.7338  -13.8056 H   0  0  0  0  0
    4.8253   -9.2092  -17.0734 H   0  0  0  0  0
   -8.2769   15.6461    5.3307 H   0  0  0  0  0
   -8.8132   17.7457    8.8019 H   0  0  0  0  0
  -10.9900   18.4488    6.7889 H   0  0  0  0  0
   -9.3842   19.1720    6.7354 H   0  0  0  0  0
   -9.7062   19.9250    9.1276 H   0  0  0  0  0
  -11.3221   19.2124    9.0985 H   0  0  0  0  0
  -11.9761   20.7317    7.2345 H   0  0  0  0  0
  -10.3561   21.4575    7.2621 H   0  0  0  0  0
  -11.9087   21.3618    9.7538 H   0  0  0  0  0
  -11.6208   23.2799    6.9517 H   0  0  0  0  0
  -12.3551   23.3838   10.6716 H   0  0  0  0  0
  -13.2548   24.3476    9.6549 H   0  0  0  0  0
  -11.1114   16.0910    7.9419 H   0  0  0  0  0
   -9.9416   15.4348   11.6872 H   0  0  0  0  0
   -7.5069   16.5651   10.2216 H   0  0  0  0  0
   -7.7958   14.8431   10.4267 H   0  0  0  0  0
   -7.8841   15.1648   12.9187 H   0  0  0  0  0
   -7.5409   16.8755   12.7082 H   0  0  0  0  0
   -5.3793   16.3486   11.6090 H   0  0  0  0  0
   -5.6737   14.6198   11.7610 H   0  0  0  0  0
   -4.4653   16.1857   13.6199 H   0  0  0  0  0
   -6.4845   13.4559   13.5114 H   0  0  0  0  0
   -4.7663   15.7913   15.9264 H   0  0  0  0  0
   -4.6923   14.1541   16.2061 H   0  0  0  0  0
   -9.1766   18.1533   10.9053 H   0  0  0  0  0
  -13.0266   17.9122   11.9473 H   0  0  0  0  0
  -11.7319   15.2752   12.6897 H   0  0  0  0  0
  -12.3103   15.6647   11.0521 H   0  0  0  0  0
  -14.5879   16.0658   11.9310 H   0  0  0  0  0
  -14.0313   15.6844   13.5806 H   0  0  0  0  0
  -16.2622   12.6306   12.4464 H   0  0  0  0  0
  -16.4574   14.2986   11.8727 H   0  0  0  0  0
  -16.1017   13.9753   13.5948 H   0  0  0  0  0
  -11.2510   17.2675   14.2609 H   0  0  0  0  0
  -14.1799   20.0224   14.9422 H   0  0  0  0  0
  -13.2792   20.1354   12.0184 H   0  0  0  0  0
  -12.4020   20.9866   13.2747 H   0  0  0  0  0
  -13.5333   22.7970   14.6111 H   0  0  0  0  0
  -15.1783   24.6338   14.4995 H   0  0  0  0  0
  -16.9606   24.6121   12.7754 H   0  0  0  0  0
  -17.0922   22.7444   11.1515 H   0  0  0  0  0
  -15.4624   20.9029   11.2390 H   0  0  0  0  0
  -15.0435   18.5702   12.5673 H   0  0  0  0  0
  -14.8442   18.3832   16.2212 H   0  0  0  0  0
  -16.0777   17.1277   16.2523 H   0  0  0  0  0
  -16.5974   20.0802   15.9163 H   0  0  0  0  0
  -17.7570   17.1000   17.7270 H   0  0  0  0  0
  -18.5829   16.9253   16.1540 H   0  0  0  0  0
  -19.7259   18.0766   18.6853 H   0  0  0  0  0
  -22.3744   16.3470   16.0936 H   0  0  0  0  0
  -20.0830   17.7828   14.6364 H   0  0  0  0  0
  -21.4508   18.6726   15.2482 H   0  0  0  0  0
  -23.7966   18.1301   14.4479 H   0  0  0  0  0
  -25.1295   17.4842   12.4862 H   0  0  0  0  0
  -21.6366   15.7520   10.6646 H   0  0  0  0  0
  -20.2819   16.4000   12.6331 H   0  0  0  0  0
  -25.0845   16.4770   10.4632 H   0  0  0  0  0
  -20.8501   14.9748   14.9790 H   0  0  0  0  0
  -20.7984   14.7528   16.5905 H   0  0  0  0  0
  1  2  1  0  0  0
  1202  1  0  0  0
  1203  1  0  0  0
  1204  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2205  1  0  0  0
  3206  1  0  0  0
  3207  1  0  0  0
  3208  1  0  0  0
  4140  1  0  0  0
  4  5  1  0  0  0
  4209  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7210  1  0  0  0
  8  9  1  0  0  0
  8211  1  0  0  0
  8212  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11213  1  0  0  0
 12 20  1  0  0  0
 12 13  1  0  0  0
 12214  1  0  0  0
 13 14  1  0  0  0
 13215  1  0  0  0
 13216  1  0  0  0
 14 15  1  0  0  0
 14217  1  0  0  0
 14218  1  0  0  0
 15 16  1  0  0  0
 15219  1  0  0  0
 15220  1  0  0  0
 16 17  1  0  0  0
 16221  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 18222  1  0  0  0
 19223  1  0  0  0
 19224  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 26  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 23225  1  0  0  0
 23226  1  0  0  0
 24 25  1  0  0  0
 24227  1  0  0  0
 24228  1  0  0  0
 25 26  1  0  0  0
 25229  1  0  0  0
 25230  1  0  0  0
 26 27  1  0  0  0
 26231  1  0  0  0
 27 29  1  0  0  0
 27 28  2  0  0  0
 29 30  1  0  0  0
 29232  1  0  0  0
 30 36  1  0  0  0
 30 31  1  0  0  0
 30233  1  0  0  0
 31 32  1  0  0  0
 31234  1  0  0  0
 31235  1  0  0  0
 32 33  1  0  0  0
 32236  1  0  0  0
 32237  1  0  0  0
 33 35  1  0  0  0
 33 34  2  0  0  0
 35238  1  0  0  0
 36 38  1  0  0  0
 36 37  2  0  0  0
 38 39  1  0  0  0
 38239  1  0  0  0
 39 50  1  0  0  0
 39 40  1  0  0  0
 39240  1  0  0  0
 40 41  1  0  0  0
 40241  1  0  0  0
 40242  1  0  0  0
 41 49  1  0  0  0
 41 42  2  0  0  0
 42 43  1  0  0  0
 42243  1  0  0  0
 43 44  1  0  0  0
 43244  1  0  0  0
 44 49  1  0  0  0
 44 45  2  0  0  0
 45 46  1  0  0  0
 45245  1  0  0  0
 46 47  2  0  0  0
 46246  1  0  0  0
 47 48  1  0  0  0
 47247  1  0  0  0
 48 49  2  0  0  0
 48248  1  0  0  0
 50 52  1  0  0  0
 50 51  2  0  0  0
 52 53  1  0  0  0
 52249  1  0  0  0
 53 64  1  0  0  0
 53 54  1  0  0  0
 53250  1  0  0  0
 54 55  1  0  0  0
 54251  1  0  0  0
 54252  1  0  0  0
 55 63  1  0  0  0
 55 56  2  0  0  0
 56 57  1  0  0  0
 56253  1  0  0  0
 57 58  1  0  0  0
 57254  1  0  0  0
 58 63  1  0  0  0
 58 59  2  0  0  0
 59 60  1  0  0  0
 59255  1  0  0  0
 60 61  2  0  0  0
 60256  1  0  0  0
 61 62  1  0  0  0
 61257  1  0  0  0
 62 63  2  0  0  0
 62258  1  0  0  0
 64 66  1  0  0  0
 64 65  2  0  0  0
 66 67  1  0  0  0
 66259  1  0  0  0
 67 72  1  0  0  0
 67 68  1  0  0  0
 67260  1  0  0  0
 68 69  1  0  0  0
 68261  1  0  0  0
 68262  1  0  0  0
 69 70  1  0  0  0
 69263  1  0  0  0
 69264  1  0  0  0
 70 71  1  0  0  0
 71265  1  0  0  0
 71266  1  0  0  0
 71267  1  0  0  0
 72 74  1  0  0  0
 72 73  2  0  0  0
 74 75  1  0  0  0
 74268  1  0  0  0
 75 80  1  0  0  0
 75 76  1  0  0  0
 75269  1  0  0  0
 76 77  1  0  0  0
 76270  1  0  0  0
 76271  1  0  0  0
 77 79  1  0  0  0
 77 78  2  0  0  0
 79272  1  0  0  0
 80 82  1  0  0  0
 80 81  2  0  0  0
 82 83  1  0  0  0
 82273  1  0  0  0
 83 92  1  0  0  0
 83 84  1  0  0  0
 83274  1  0  0  0
 84 85  1  0  0  0
 84275  1  0  0  0
 84276  1  0  0  0
 85 86  2  0  0  0
 85 90  1  0  0  0
 86 87  1  0  0  0
 86277  1  0  0  0
 87 88  2  0  0  0
 87278  1  0  0  0
 88 89  1  0  0  0
 88 91  1  0  0  0
 89 90  2  0  0  0
 89279  1  0  0  0
 90280  1  0  0  0
 91281  1  0  0  0
 92 94  1  0  0  0
 92 93  2  0  0  0
 94 95  1  0  0  0
 94282  1  0  0  0
 95101  1  0  0  0
 95 96  1  0  0  0
 95283  1  0  0  0
 96 97  1  0  0  0
 96284  1  0  0  0
 96285  1  0  0  0
 97 98  1  0  0  0
 97286  1  0  0  0
 97287  1  0  0  0
 98100  1  0  0  0
 98 99  2  0  0  0
100288  1  0  0  0
100289  1  0  0  0
101103  1  0  0  0
101102  2  0  0  0
103104  1  0  0  0
103290  1  0  0  0
104110  1  0  0  0
104105  1  0  0  0
104291  1  0  0  0
105106  1  0  0  0
105292  1  0  0  0
105293  1  0  0  0
106107  1  0  0  0
106294  1  0  0  0
106295  1  0  0  0
107108  1  0  0  0
107296  1  0  0  0
107297  1  0  0  0
108109  1  0  0  0
108298  1  0  0  0
108299  1  0  0  0
109300  1  0  0  0
109301  1  0  0  0
110112  1  0  0  0
110111  2  0  0  0
112113  1  0  0  0
112302  1  0  0  0
113121  1  0  0  0
113114  1  0  0  0
113303  1  0  0  0
114115  1  0  0  0
114304  1  0  0  0
114305  1  0  0  0
115116  1  0  0  0
115306  1  0  0  0
115307  1  0  0  0
116117  1  0  0  0
116308  1  0  0  0
116309  1  0  0  0
117118  1  0  0  0
117310  1  0  0  0
118120  1  0  0  0
118119  2  0  0  0
119311  1  0  0  0
120312  1  0  0  0
120313  1  0  0  0
121123  1  0  0  0
121122  2  0  0  0
123124  1  0  0  0
123314  1  0  0  0
124133  1  0  0  0
124125  1  0  0  0
124315  1  0  0  0
125126  1  0  0  0
125316  1  0  0  0
125317  1  0  0  0
126127  2  0  0  0
126131  1  0  0  0
127128  1  0  0  0
127318  1  0  0  0
128129  2  0  0  0
128319  1  0  0  0
129130  1  0  0  0
129132  1  0  0  0
130131  2  0  0  0
130320  1  0  0  0
131321  1  0  0  0
132322  1  0  0  0
133135  1  0  0  0
133134  2  0  0  0
135136  1  0  0  0
135323  1  0  0  0
136137  1  0  0  0
136324  1  0  0  0
136325  1  0  0  0
137139  1  0  0  0
137138  2  0  0  0
139326  1  0  0  0
140141  1  0  0  0
140327  1  0  0  0
141143  1  0  0  0
141142  2  0  0  0
143151  1  0  0  0
143144  1  0  0  0
143328  1  0  0  0
144145  1  0  0  0
144329  1  0  0  0
144330  1  0  0  0
145146  1  0  0  0
145331  1  0  0  0
145332  1  0  0  0
146147  1  0  0  0
146333  1  0  0  0
146334  1  0  0  0
147148  1  0  0  0
147335  1  0  0  0
148150  1  0  0  0
148149  2  0  0  0
149336  1  0  0  0
150337  1  0  0  0
150338  1  0  0  0
151152  1  0  0  0
151339  1  0  0  0
152154  1  0  0  0
152153  2  0  0  0
154162  1  0  0  0
154155  1  0  0  0
154340  1  0  0  0
155156  1  0  0  0
155341  1  0  0  0
155342  1  0  0  0
156157  1  0  0  0
156343  1  0  0  0
156344  1  0  0  0
157158  1  0  0  0
157345  1  0  0  0
157346  1  0  0  0
158159  1  0  0  0
158347  1  0  0  0
159161  1  0  0  0
159160  2  0  0  0
160348  1  0  0  0
161349  1  0  0  0
161350  1  0  0  0
162163  1  0  0  0
162351  1  0  0  0
163165  1  0  0  0
163164  2  0  0  0
165170  1  0  0  0
165166  1  0  0  0
165352  1  0  0  0
166167  1  0  0  0
166353  1  0  0  0
166354  1  0  0  0
167168  1  0  0  0
167355  1  0  0  0
167356  1  0  0  0
168169  1  0  0  0
169357  1  0  0  0
169358  1  0  0  0
169359  1  0  0  0
170171  1  0  0  0
170360  1  0  0  0
171173  1  0  0  0
171172  2  0  0  0
173181  1  0  0  0
173174  1  0  0  0
173361  1  0  0  0
174175  1  0  0  0
174362  1  0  0  0
174363  1  0  0  0
175176  2  0  0  0
175180  1  0  0  0
176177  1  0  0  0
176364  1  0  0  0
177178  2  0  0  0
177365  1  0  0  0
178179  1  0  0  0
178366  1  0  0  0
179180  2  0  0  0
179367  1  0  0  0
180368  1  0  0  0
181182  1  0  0  0
181369  1  0  0  0
182184  1  0  0  0
182183  2  0  0  0
184185  1  0  0  0
184370  1  0  0  0
184371  1  0  0  0
185186  1  0  0  0
185372  1  0  0  0
186188  1  0  0  0
186187  2  0  0  0
188189  1  0  0  0
188373  1  0  0  0
188374  1  0  0  0
189190  1  0  0  0
189375  1  0  0  0
190192  1  0  0  0
190191  2  0  0  0
192201  1  0  0  0
192193  1  0  0  0
192376  1  0  0  0
193194  1  0  0  0
193377  1  0  0  0
193378  1  0  0  0
194195  2  0  0  0
194199  1  0  0  0
195196  1  0  0  0
195379  1  0  0  0
196197  2  0  0  0
196380  1  0  0  0
197198  1  0  0  0
197200  1  0  0  0
198199  2  0  0  0
198381  1  0  0  0
199382  1  0  0  0
200383  1  0  0  0
201384  1  0  0  0
201385  1  0  0  0
M  END

>  <Chemical Name>
Bam 22P

>  <PubChem CID>
16132339

>  <Formula>
C130H184N38O31S2

>  <Molecular Weight>
2839.257000

>  <IUPAC Name>


>  <XlogP>
-7.0

>  <Hydrogen Bond Donors>
43

>  <Hydrogen Bond Acceptors>
39

>  <Canonical SMILES>
CC(C)C(C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC6=CC=C(C=C6)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC7=CC=C(C=C7)O)C(=O)NCC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCSC)NC(=O)C(CC8=CC=CC=C8)NC(=O)CNC(=O)CNC(=O)C(CC9=CC=C(C=C9)O)N

>  <Isomeric SMILES>
CC(C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC7=CC=C(C=C7)O)C(=O)NCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)CNC(=O)CNC(=O)[C@H](CC9=CC=C(C=C9)O)N

>  <InChI Std. ID>
InChI=1S/C130H184N38O31S2/c1-70(2)108(167-118(191)88(28-16-52-144-129(138)139)157-112(185)86(26-14-50-142-127(134)135)156-116(189)91(47-55-200-3)159-119(192)95(58-71-19-6-5-7-20-71)153-103(174)67-148-102(173)66-149-109(182)82(132)57-72-31-37-77(169)38-32-72)125(198)150-68-104(175)152-93(29-17-53-145-130(140)141)126(199)168-54-18-30-100(168)124(197)161-90(44-46-105(176)177)115(188)164-98(62-76-65-147-84-24-11-9-22-81(76)84)122(195)165-97(61-75-64-146-83-23-10-8-21-80(75)83)121(194)160-92(48-56-201-4)117(190)166-99(63-106(178)179)123(196)163-96(60-74-35-41-79(171)42-36-74)120(193)158-89(43-45-101(133)172)114(187)154-85(25-12-13-49-131)111(184)155-87(27-15-51-143-128(136)137)113(186)162-94(110(183)151-69-107(180)181)59-73-33-39-78(170)40-34-73/h5-11,19-24,31-42,64-65,70,82,85-100,108,146-147,169-171H,12-18,25-30,43-63,66-69,131-132H2,1-4H3,(H2,133,172)(H,148,173)(H,149,182)(H,150,198)(H,151,183)(H,152,175)(H,153,174)(H,154,187)(H,155,184)(H,156,189)(H,157,185)(H,158,193)(H,159,192)(H,160,194)(H,161,197)(H,162,186)(H,163,196)(H,164,188)(H,165,195)(H,166,190)(H,167,191)(H,176,177)(H,178,179)(H,180,181)(H4,134,135,142)(H4,136,137,143)(H4,138,139,144)(H4,140,141,145)/t82-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,108-/m0/s1

>  <InChI Key>
QYDAFJUKVGVEKO-PKOVDKIBSA-N

