
     RDKit          3D

110114  0  0  0  0  0  0  0  0999 V2000
   -7.3315   -0.7986   -1.7597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5292   -1.4148   -1.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7793   -0.9552   -1.3006 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5808   -1.7040   -0.5922 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9050   -2.6072    0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5204   -3.6020    0.9987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5687   -2.4898   -0.2411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2339   -3.4993    0.3015 S   0  0  0  0  0  6  0  0  0  0  0  0
   -7.7767   -4.8081    0.8048 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3233   -3.8156   -0.8540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3870   -2.7235    1.6064 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7042   -1.4744    1.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9527   -0.4124    2.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3722    0.8278    2.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5194    1.0239    0.9515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1940   -0.0797    0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8000   -1.3194    0.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4197    0.1121   -1.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0839    0.3724   -2.1436 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9813   -0.1272   -1.1704 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2815    0.1405   -2.4598 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5930    1.5341   -3.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5565   -0.9841   -3.4741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7347   -2.0806   -3.2021 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4340   -1.1761   -0.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0667   -1.0295    0.1212 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4895   -2.3131    0.8805 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4517    0.2381    0.9716 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0118    0.4652    0.9177 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3813    1.6635    0.1258 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.4272   -1.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6246    2.3190    0.5902 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8363    1.4108    0.5769 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5661    1.2034   -0.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8101    0.5593   -0.5676 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3640    0.1793    0.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7697   -0.2224    0.7385 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6572    0.6695    0.8530 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1303   -1.6009    0.5813 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4815   -2.0462    0.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8184   -2.9220    1.7441 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1448   -3.3307    1.9126 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1416   -2.8680    1.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8013   -2.0307    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4728   -1.6278   -0.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1555   -0.7868   -1.3296 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6312    0.3588    1.8334 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3680    0.9520    1.7963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2870    1.3869    0.5808 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0074    2.5070    1.4171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2776    3.2295    1.7967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8531    4.0279    0.6178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2337    4.6093    0.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3272    3.5318    1.2166 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.6631    3.9785    0.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9493    2.2707    0.6586 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6270   -0.2635   -2.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5723   -1.5618   -2.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8838   -0.0566   -1.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4986   -4.6149    0.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9714   -3.6142    1.9590 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5657   -3.3180    1.2033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6475   -3.0200    2.5738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6422   -0.5267    3.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6344    1.6349    2.7185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5832   -2.1576   -0.2921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1996    0.1543   -2.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8105    1.8302   -3.7695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5706    1.5499   -3.5633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6172    2.2804   -2.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6184   -1.2965   -3.4426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3695   -0.6053   -4.5005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8554   -2.6834   -3.9759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0434   -1.2683    0.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5355   -2.1521   -0.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6738   -1.0228   -0.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7232   -3.1211    0.1646 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3490   -2.1356    1.5571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3379   -2.6746    1.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1519    0.0293    2.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5527   -0.4389    0.5271 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3475    0.6035    1.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9217    2.2037   -1.8787 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7831    0.4290   -1.6083 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3173    1.5256   -1.6739 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8498    3.2304   -0.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625    2.7093    1.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1870    1.5612   -1.5675 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3960    0.4640   -1.4771 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3738   -2.3147    0.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0415   -3.2503    2.4367 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3896   -3.9964    2.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1721   -3.1862    1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5780   -1.7005   -0.6711 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9083   -0.3305   -1.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1462   -0.6310   -1.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0544    0.0802    2.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8388    1.1155    2.7212 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6912    3.2020    0.8628 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4927    2.2061    2.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0357    3.9595    2.6271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0134    2.4776    2.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1580    4.8557    0.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9489    3.4322   -0.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5243    5.2851    0.1136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1271    5.2454    1.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4159    3.4497    2.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4544    3.2403    0.8531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9521    4.9772    0.9874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5808    4.0611   -0.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 20 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  2  0
 45 46  1  0
 36 47  1  0
 47 48  2  0
 28 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  1  0
 53 54  1  0
 54 55  1  0
 54 56  1  0
  7  2  1  0
 17 12  1  0
 48 33  1  0
 56 15  1  0
 45 40  1  0
  1 57  1  0
  1 58  1  0
  1 59  1  0
  6 60  1  0
  6 61  1  0
  6 62  1  0
 11 63  1  0
 13 64  1  0
 14 65  1  0
 17 66  1  0
 21 67  1  1
 22 68  1  0
 22 69  1  0
 22 70  1  0
 23 71  1  0
 23 72  1  0
 24 73  1  0
 25 74  1  0
 25 75  1  0
 26 76  1  6
 27 77  1  0
 27 78  1  0
 27 79  1  0
 28 80  1  1
 29 81  1  0
 29 82  1  0
 31 83  1  0
 31 84  1  0
 31 85  1  0
 32 86  1  0
 32 87  1  0
 34 88  1  0
 35 89  1  0
 39 90  1  0
 41 91  1  0
 42 92  1  0
 43 93  1  0
 44 94  1  0
 46 95  1  0
 46 96  1  0
 47 97  1  0
 48 98  1  0
 50 99  1  0
 50100  1  0
 51101  1  0
 51102  1  0
 52103  1  0
 52104  1  0
 53105  1  0
 53106  1  0
 54107  1  1
 55108  1  0
 55109  1  0
 55110  1  0
M  END
$$$$
