
     RDKit          3D

137142  0  0  0  0  0  0  0  0999 V2000
   -3.2934    4.7514   -0.4646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8322    4.2680   -0.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2731    4.6188    0.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6463    2.7478   -0.7105 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7505    1.8896   -0.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7946    1.6900    1.1175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7741    1.4039   -0.9581 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0183    0.9137   -0.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9189   -0.5542    0.0114 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.2492   -1.0296    0.4015 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9619   -0.4978    1.5275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3235    0.0136    2.4861 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4403   -0.5664    1.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0945   -0.7144    2.8377 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5055   -0.7644    2.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2849   -0.6381    1.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6266   -0.4773    0.5361 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1904   -0.2886   -0.6666 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1671   -0.1290   -1.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9470   -0.2093   -0.8772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2539   -0.4436    0.4526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3720   -1.4529   -1.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4353   -1.0773   -2.2853 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9467   -2.7959   -0.8157 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3673   -3.2533    0.4537 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4285   -4.0079    1.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1582   -4.1175    0.1582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1909   -5.3620    0.3787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0114   -3.5530   -0.5111 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7827   -3.9720   -1.9034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1048   -2.5652    0.1125 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6858   -1.1412    0.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6351    0.1135    0.1704 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2292    0.0195   -1.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7942    1.2041   -2.4561 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7191    1.3007   -2.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3350    0.3619   -3.1536 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4544    2.4740   -2.1539 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3011    3.0969   -3.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4536    2.5016   -2.1607 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2134    3.6351   -3.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3605    2.7029   -1.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8875    3.0248    0.0671 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8720    2.6417   -1.2106 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4392    3.8611   -1.9394 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2934    1.4169   -1.8936 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0139    0.3284   -1.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6322   -0.4777   -2.0209 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0664    0.1208    0.2226 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3884    0.5241    0.7127 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6420    1.7586    1.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7102    2.3448    2.0204 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0039    2.3294    1.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5195    2.8925    2.6319 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8388    3.3965    2.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6565    3.3632    1.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1252    2.8213    0.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7272    2.7381   -0.8273 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8162    2.1923   -1.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6277    1.9327   -0.9916 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8450    2.3293    0.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8057   -1.3450    0.5995 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6524   -1.8291   -0.0835 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1703   -3.1281    0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0372   -3.8578   -0.9404 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512   -3.6267    1.4450 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5585   -5.1726    1.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5141   -5.6113    3.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448   -5.7470    0.8058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6246   -2.8410    2.0036 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8526   -1.9866    3.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2673   -2.9288    1.5336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6482   -3.1744    2.3681 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3273    5.8526   -0.3317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7616    4.5181   -1.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9098    4.2972    0.3448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2352    4.8556   -1.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8491    4.1002    1.7996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2042    4.3247    1.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3415    5.7170    1.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7188    2.4378   -0.1962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7673    0.9858   -1.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3862    1.5729    0.3643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2456   -0.5894    0.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7187   -1.7710   -0.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5176   -0.8118    3.7532 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9876   -0.8843    3.8735 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3632   -0.6601    1.8044 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2120   -0.2469   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2972    0.0651   -2.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9710   -0.0810   -1.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0517   -3.5014   -1.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0284   -2.4066    1.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2177   -3.3007    1.5877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8919   -4.8027    0.6447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9764   -4.4676    2.1708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6083   -5.0706   -1.9508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6733   -3.7143   -2.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0952   -3.4594   -2.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8270   -2.5589   -0.4727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3990   -0.9578    0.8608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2328   -1.0017   -0.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3231   -0.0491   -1.5375 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8920   -0.9181   -2.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1494    0.9186   -3.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3622    2.8138   -3.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9924    2.7779   -4.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1985    4.2042   -3.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7511    4.4707   -2.4871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5317    3.3510   -3.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1574    3.9892   -3.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3126    2.6793   -0.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3094    3.7705   -3.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5370    3.9317   -1.7449 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9530    4.7939   -1.5772 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0840    1.3320   -2.9141 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2703    0.7163    0.7236 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2125   -0.0601    0.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9111    2.9236    3.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2209    3.8153    3.5992 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6644    3.7567    1.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6920    3.0565   -1.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9971    2.0105   -2.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7186    1.5418   -1.4272 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6806   -1.9729    0.3279 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6598   -1.4040    1.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6515   -3.4410    2.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4557   -5.6500    1.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6141   -5.1955    3.5408 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792   -6.7190    3.0973 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220   -5.2607    3.5587 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3866   -5.4845    1.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3049   -5.4024   -0.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3989   -6.8560    0.7914 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9284   -1.8265    3.3756 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3904   -0.9922    3.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3821   -2.4493    4.0694 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
  5  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  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
  9 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 35 40  1  0
 40 41  1  0
 40 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  1  0
 44 46  1  0
 46 47  1  0
 47 48  2  0
 47 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  2  0
 51 53  1  0
 53 54  2  0
 54 55  1  0
 55 56  2  0
 56 57  1  0
 57 58  1  0
 58 59  1  0
 59 60  2  0
 60 61  1  0
 49 62  1  0
 62 63  1  0
 63 64  1  0
 64 65  2  0
 64 66  1  0
 66 67  1  0
 67 68  1  0
 67 69  1  0
 66 70  1  0
 70 71  1  0
 70 72  1  0
 72 73  2  0
 38  4  1  0
 61 53  1  0
 21 13  1  0
 72 31  1  0
 21 17  2  0
 61 57  2  0
  1 74  1  0
  1 75  1  0
  1 76  1  0
  2 77  1  0
  3 78  1  0
  3 79  1  0
  3 80  1  0
  4 81  1  1
  8 82  1  0
  8 83  1  0
  9 84  1  1
 10 85  1  0
 14 86  1  0
 15 87  1  0
 16 88  1  0
 18 89  1  0
 19 90  1  0
 20 91  1  0
 24 92  1  0
 25 93  1  1
 26 94  1  0
 26 95  1  0
 26 96  1  0
 30 97  1  0
 30 98  1  0
 30 99  1  0
 31100  1  6
 32101  1  0
 32102  1  0
 34103  1  0
 34104  1  0
 35105  1  6
 39106  1  0
 39107  1  0
 39108  1  0
 41109  1  0
 41110  1  0
 41111  1  0
 44112  1  1
 45113  1  0
 45114  1  0
 45115  1  0
 46116  1  0
 49117  1  1
 50118  1  0
 54119  1  0
 55120  1  0
 56121  1  0
 58122  1  0
 59123  1  0
 60124  1  0
 62125  1  0
 62126  1  0
 66127  1  1
 67128  1  0
 68129  1  0
 68130  1  0
 68131  1  0
 69132  1  0
 69133  1  0
 69134  1  0
 71135  1  0
 71136  1  0
 71137  1  0
M  END
$$$$
