
     RDKit          3D

 75 78  0  0  0  0  0  0  0  0999 V2000
    8.5838   -1.0221   -0.8967 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9077    0.0978    0.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7801   -0.3755    1.5517 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1014    1.3465   -0.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7163    2.4337   -0.7504 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9347    3.4889   -0.9595 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4141    3.0929   -0.4379 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.7240    1.5243    0.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7487    0.6085    0.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3759    1.0732    0.5639 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6725    0.9503   -0.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1854    0.3183   -1.6432 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3129    1.5653   -0.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2088    0.5592   -0.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1846   -0.2533    0.5171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1130   -1.1154    0.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9792   -1.1597   -0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9802   -0.3188   -1.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1209    0.5214   -1.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1780   -0.2729   -2.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3565    0.3131   -1.5038 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1806    1.7730   -1.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7525    2.1670    0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2235    1.6172    1.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7521    1.9752    2.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8011    2.8960    2.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3223    3.4602    1.3849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8008    3.1002    0.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5798    0.0342   -2.2931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8343    0.2926   -1.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5705    1.2611   -1.8386 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2480   -0.5428   -0.4068 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3542   -1.3814    0.3949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0424   -2.7122   -0.3077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5974   -3.8171    0.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3794   -3.4643    1.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0829   -3.2488    0.7502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1015   -1.9676    0.1171 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2990   -1.8607   -0.7672 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6729   -0.6484   -1.9377 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5585   -1.4132   -0.7443 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9801    0.3594   -0.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5965   -1.0929    1.7875 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8181   -0.8957    1.7301 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8679    0.4841    2.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8377   -0.4273    0.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9835    0.6051    1.8274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9031    1.5490    1.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1839    2.3918   -0.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2464    2.0173   -1.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9870   -0.2050    1.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1232   -1.6909    1.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1102    1.1766   -2.3722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9483    0.2933   -3.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3872   -1.3206   -2.4981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6306    2.3730   -2.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1101    2.0635   -1.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4069    0.9066    1.1941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3452    1.5404    3.3852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2087    3.1724    3.5162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1297    4.1789    1.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2154    3.5470   -0.7565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5896    0.6405   -3.2271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6141   -1.0224   -2.6286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2203   -0.4043   -0.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4220   -0.8309    0.6251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8569   -1.5949    1.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2589   -2.5764   -1.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9605   -3.0694   -0.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3713   -4.7376    0.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4492   -4.0626    1.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2153   -4.3109    2.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5926   -2.5704    2.1622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2405   -3.3444    1.4626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9622   -4.0384   -0.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 21 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
  8  4  2  0
 19 14  1  0
 28 23  1  0
 38 17  1  0
  1 39  1  0
  1 40  1  0
  1 41  1  0
  2 42  1  0
  3 43  1  0
  3 44  1  0
  3 45  1  0
  9 46  1  0
  9 47  1  0
 10 48  1  0
 13 49  1  0
 13 50  1  0
 15 51  1  0
 16 52  1  0
 19 53  1  0
 20 54  1  0
 20 55  1  0
 22 56  1  0
 22 57  1  0
 24 58  1  0
 25 59  1  0
 26 60  1  0
 27 61  1  0
 28 62  1  0
 29 63  1  0
 29 64  1  0
 32 65  1  0
 33 66  1  0
 33 67  1  0
 34 68  1  0
 34 69  1  0
 35 70  1  0
 35 71  1  0
 36 72  1  0
 36 73  1  0
 37 74  1  0
 37 75  1  0
M  END
$$$$
