5460183
 OpenBabel05082101102D

179185  0  0  1  0  0  0  0  0999 V2000
    7.2438    1.8817    0.0000 Co  0  0  0  0  0  0  0  0  0  0  0  0
    4.8914   -5.9248    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.2166    2.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8026    1.8720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6082   -4.7945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9632    5.8987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3168   -3.1586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1602   -4.3119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2258    6.9665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3500   -5.9238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4772   -1.2516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3516    3.8513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3326   -6.7191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1460   -5.3482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3345   -6.7554    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.8244   -6.9225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3511    2.7265    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2696    0.9555    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
    8.1233    2.8092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0613    1.0577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3603   -1.6098    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3532   -3.1346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5760    4.2550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374    0.8060    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5513    6.5900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6538   -2.9040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5149    6.6972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4772   -2.3987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1184    5.5676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4857    2.6028    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4455    1.0381    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0748    3.3854    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0334    0.2957    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4544    3.6128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4141    0.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6510   -0.3219    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6923    4.0030    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9994    3.6334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9581    0.1304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9474    1.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5118    2.3758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9474    2.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2372    4.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1753   -0.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7615    4.0649    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3583    0.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7408   -0.2393    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3789    3.4474    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2900    4.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2429    2.8305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3790    1.9232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0432    0.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5244   -1.2557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5368    4.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7034   -0.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2551   -1.9052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8028   -2.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3559    4.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1871    5.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9996   -1.2052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1352   -1.2798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3698    3.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1804    4.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2466    0.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0697   -0.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2508   -2.8475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3609    3.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6524   -1.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6036    5.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4277    0.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0733   -1.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0579   -4.0295    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2925   -1.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7487    4.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9568    5.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0647   -3.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8873   -1.9127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5258   -2.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4481    6.3380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8829   -2.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1602   -4.3166    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2963   -1.8252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7396    4.6421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1559   -5.2589    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0508   -5.5543    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7556   -1.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7466   -3.3591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3554   -6.5068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5272   -3.8379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2726   -4.4144    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0683   -3.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6254    1.2617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6825    0.8067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1944    4.3667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3711    2.9797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9080    2.2352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6525    1.7720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2649   -0.6366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5770    4.0349    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7529    4.4176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641    4.5326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8988    3.3463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7271    2.4865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5869    2.3147    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9990    1.9180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4956   -0.1342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2346   -0.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6562   -1.8615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1439   -1.2310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1567    4.9794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6557    5.5994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5052   -0.0540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1160   -0.8397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9016   -1.2290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1829   -2.3668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7829    4.4195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8728    5.2115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8063    5.0536    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1560    5.6417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5679    4.9915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3553   -1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5615   -0.9432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5157   -1.2550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1104   -1.8993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7548   -1.3046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3453    2.9625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9757    3.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6850    5.2390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8202    5.3834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6758    4.5185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5314    0.2870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7973    1.1225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9617    1.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6340   -0.7656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5108   -0.7603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5055    0.1165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5205   -1.0071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0329   -1.6376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9837    5.3615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4847    4.7416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0762   -0.8178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8980   -3.9004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0975   -2.5008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8202   -2.2378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7731    5.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1428    4.6392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0618   -3.9425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.0258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655    4.8686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9714   -3.7260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2050    0.2312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0558    1.2947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3127   -6.0944    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6627   -5.6541    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3038    7.1585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1673    6.5201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0631   -1.9551    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2939   -1.1092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4480   -0.8783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1634   -2.5247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4342   -3.8946    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2821   -3.6715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0591   -2.8236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4184    7.3097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0326    6.3075    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8478   -4.8474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7411   -6.5902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3310   -7.1263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9153   -2.1366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5313   -3.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7328    5.6510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7390    6.0579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9366   -3.6492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2388   -4.3867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8876   -4.3358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5215   -7.3097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4438   -4.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5616   -3.4332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6928   -3.3154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  2  0  0  0  0
  3 67  2  0  0  0  0
  4 70  2  0  0  0  0
  5 72  1  0  0  0  0
  5 85  1  0  0  0  0
  6 75  2  0  0  0  0
  7 78  2  0  0  0  0
  8166  1  0  0  0  0
  9 79  2  0  0  0  0
 10 84  1  0  0  0  0
 11 82  2  0  0  0  0
 12 83  2  0  0  0  0
 13 88  1  0  0  0  0
 13176  1  0  0  0  0
 14 90  1  0  0  0  0
 17 30  1  0  0  0  0
 17 34  2  0  0  0  0
 18 31  1  0  0  0  0
 18 35  1  0  0  0  0
 19 38  1  0  0  0  0
 19 42  2  0  0  0  0
 20 39  2  0  0  0  0
 20 40  1  0  0  0  0
 21 56  1  0  0  0  0
 21 57  2  0  0  0  0
 22 57  1  0  0  0  0
 22 66  1  0  0  0  0
 22 72  1  0  0  0  0
 23 67  1  0  0  0  0
 23148  1  0  0  0  0
 23149  1  0  0  0  0
 24 70  1  0  0  0  0
 24151  1  0  0  0  0
 24152  1  0  0  0  0
 25 75  1  0  0  0  0
 25155  1  0  0  0  0
 25156  1  0  0  0  0
 26 78  1  0  0  0  0
 26 89  1  0  0  0  0
 26160  1  0  0  0  0
 27 79  1  0  0  0  0
 27164  1  0  0  0  0
 27165  1  0  0  0  0
 28 82  1  0  0  0  0
 28169  1  0  0  0  0
 28170  1  0  0  0  0
 29 83  1  0  0  0  0
 29171  1  0  0  0  0
 29172  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 41  1  6  0  0  0
 31 33  1  0  0  0  0
 31 92  1  1  0  0  0
 32 37  1  0  0  0  0
 32 49  1  1  0  0  0
 32 50  1  0  0  0  0
 33 36  1  0  0  0  0
 33 52  1  0  0  0  0
 33 93  1  6  0  0  0
 34 37  1  0  0  0  0
 34 43  1  0  0  0  0
 35 36  1  0  0  0  0
 35 44  2  0  0  0  0
 36 53  1  6  0  0  0
 36 55  1  0  0  0  0
 37 54  1  0  0  0  0
 37 94  1  1  0  0  0
 38 43  2  0  0  0  0
 38 45  1  0  0  0  0
 39 44  1  0  0  0  0
 39 47  1  0  0  0  0
 40 46  1  0  0  0  0
 40 51  2  0  0  0  0
 41 95  1  0  0  0  0
 41 96  1  0  0  0  0
 41 97  1  0  0  0  0
 42 48  1  0  0  0  0
 42 51  1  0  0  0  0
 43 59  1  0  0  0  0
 44 61  1  0  0  0  0
 45 48  1  0  0  0  0
 45 58  1  1  0  0  0
 45 63  1  0  0  0  0
 46 47  1  0  0  0  0
 46 64  1  0  0  0  0
 46 65  1  0  0  0  0
 47 60  1  0  0  0  0
 47 98  1  1  0  0  0
 48 62  1  0  0  0  0
 48 99  1  1  0  0  0
 49 67  1  0  0  0  0
 49100  1  0  0  0  0
 49101  1  0  0  0  0
 50102  1  0  0  0  0
 50103  1  0  0  0  0
 50104  1  0  0  0  0
 51105  1  0  0  0  0
 52 70  1  0  0  0  0
 52106  1  0  0  0  0
 52107  1  0  0  0  0
 53 68  1  0  0  0  0
 53108  1  0  0  0  0
 53109  1  0  0  0  0
 54 69  1  0  0  0  0
 54110  1  0  0  0  0
 54111  1  0  0  0  0
 55112  1  0  0  0  0
 55113  1  0  0  0  0
 55114  1  0  0  0  0
 56 66  2  0  0  0  0
 56 71  1  0  0  0  0
 57115  1  0  0  0  0
 58 75  1  0  0  0  0
 58116  1  0  0  0  0
 58117  1  0  0  0  0
 59118  1  0  0  0  0
 59119  1  0  0  0  0
 59120  1  0  0  0  0
 60 73  1  0  0  0  0
 60121  1  0  0  0  0
 60122  1  0  0  0  0
 61123  1  0  0  0  0
 61124  1  0  0  0  0
 61125  1  0  0  0  0
 62 74  1  0  0  0  0
 62126  1  0  0  0  0
 62127  1  0  0  0  0
 63128  1  0  0  0  0
 63129  1  0  0  0  0
 63130  1  0  0  0  0
 64131  1  0  0  0  0
 64132  1  0  0  0  0
 64133  1  0  0  0  0
 65134  1  0  0  0  0
 65135  1  0  0  0  0
 65136  1  0  0  0  0
 66 76  1  0  0  0  0
 68 78  1  0  0  0  0
 68137  1  0  0  0  0
 68138  1  0  0  0  0
 69 79  1  0  0  0  0
 69139  1  0  0  0  0
 69140  1  0  0  0  0
 71 77  2  0  0  0  0
 71141  1  0  0  0  0
 72 81  1  0  0  0  0
 72142  1  6  0  0  0
 73 82  1  0  0  0  0
 73143  1  0  0  0  0
 73144  1  0  0  0  0
 74 83  1  0  0  0  0
 74145  1  0  0  0  0
 74146  1  0  0  0  0
 76 80  2  0  0  0  0
 76147  1  0  0  0  0
 77 80  1  0  0  0  0
 77 86  1  0  0  0  0
 80 87  1  0  0  0  0
 81  8  1  0  0  0  0
 81 84  1  0  0  0  0
 81150  1  6  0  0  0
 84 85  1  0  0  0  0
 84153  1  6  0  0  0
 85 88  1  0  0  0  0
 85154  1  1  0  0  0
 86157  1  0  0  0  0
 86158  1  0  0  0  0
 86159  1  0  0  0  0
 87161  1  0  0  0  0
 87162  1  0  0  0  0
 87163  1  0  0  0  0
 88167  1  0  0  0  0
 88168  1  0  0  0  0
 89 90  1  0  0  0  0
 89173  1  0  0  0  0
 89174  1  0  0  0  0
 90 91  1  0  0  0  0
 90175  1  6  0  0  0
 91177  1  0  0  0  0
 91178  1  0  0  0  0
 91179  1  0  0  0  0
M  CHG  2  15  -1  18  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
5460183

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
3150

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
19

>  <PUBCHEM_CACTVS_HBOND_DONOR>
9

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
16

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB//AIAAAAQAAAAAAAAAAAAAWLFiRAwQIEAAAAQAFgB8AAAHgAQCCAAD7zhngY30LfMFxCoQyVzdICCgC0xEqAB2KE4dJiLeLLAmZGeYAhvlgLbyCf8ucKfiAAAQAAQACAQAACAACAAQAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
cobalt;[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(1R)-1-methyl-2-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxo-ethyl)-7,12,17-tris(3-amino-3-oxo-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]ethyl] phosphate

>  <PUBCHEM_IUPAC_CAS_NAME>
cobalt;[(2R,3S,4R,5S)-5-(5,6-dimethyl-1-benzimidazolyl)-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl] [(2R)-1-[[1-oxo-3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propyl]amino]propan-2-yl] phosphate

>  <PUBCHEM_IUPAC_NAME_MARKUP>
cobalt;[(2<I>R</I>,3<I>S</I>,4<I>R</I>,5<I>S</I>)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2<I>R</I>)-1-[3-[(1<I>R</I>,2<I>R</I>,3<I>R</I>,4<I>Z</I>,7<I>S</I>,9<I>Z</I>,12<I>S</I>,13<I>S</I>,14<I>Z</I>,17<I>S</I>,18<I>S</I>,19<I>R</I>)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1<I>H</I>-corrin-21-id-3-yl]propanoylamino]propan-2-yl] phosphate

>  <PUBCHEM_IUPAC_NAME>
cobalt;[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl] phosphate

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cobalt;[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-azanyl-2-oxidanylidene-ethyl)-7,12,17-tris(3-azanyl-3-oxidanylidene-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl] phosphate

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cobalt;[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] [(1R)-1-methyl-2-[3-[(1R,2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-keto-ethyl)-7,12,17-tris(3-amino-3-keto-propyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]ethyl] phosphate

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1

>  <PUBCHEM_IUPAC_INCHIKEY>
FEZWOUWWJOYMLT-DSRCUDDDSA-L

>  <PUBCHEM_EXACT_MASS>
1328.564325

>  <PUBCHEM_MOLECULAR_FORMULA>
C62H88CoN13O14P-2

>  <PUBCHEM_MOLECULAR_WEIGHT>
1329.3

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)([O-])OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co]

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co]

>  <PUBCHEM_CACTVS_TPSA>
452

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
1328.564325

>  <PUBCHEM_TOTAL_CHARGE>
-2

>  <PUBCHEM_HEAVY_ATOM_COUNT>
91

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
14

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
3

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
2

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

>  <PUBCHEM_NONSTANDARDBOND>
1  17  6
1  18  6
1  19  6
1  20  6
1  21  6

>  <PUBCHEM_COORDINATE_TYPE>
1
5
255

>  <PUBCHEM_BONDANNOTATIONS>
21  56  8
21  57  8
22  57  8
22  66  8
30  41  6
31  92  5
32  50  6
33  52  5
36  55  5
37  54  6
45  63  6
47  60  6
48  62  6
56  66  8
56  71  8
66  76  8
71  77  8
72  142  6
76  80  8
77  80  8
81  8  5
84  153  6
85  88  6
90  91  5

$$$$
