
     RDKit          3D

 98104  0  0  0  0  0  0  0  0999 V2000
    6.7722   -3.1983   -6.6506 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1110   -2.6445   -5.3820 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1890   -2.0649   -4.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8136   -1.9853   -4.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9298   -1.3952   -3.8825 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4069   -0.8648   -2.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5452   -0.2479   -1.7456 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1671   -0.1954   -2.0272 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1670    0.4329   -1.2198 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9396   -0.3392    0.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4827   -0.9026    0.0405 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2999   -0.4315    1.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5304   -1.2398    2.1505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7566    0.9296    1.3088 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1068    1.2584    1.7809 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1189    1.5855    0.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7109    1.6592   -0.4945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5059    1.8351    0.9691 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7177    1.6370   -0.2554 S   0  0  0  0  0  6  0  0  0  0  0  0
   -7.9617    1.0865    0.3830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2394    0.6511   -1.2868 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1079    3.1917   -1.0546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8809    3.1455   -2.3717 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1337    4.3450   -0.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4644    4.3270   -0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1302    2.2062    2.9750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4427    0.7239    3.1817 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8739    0.3946    3.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5578   -0.6326    2.9782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0962   -1.4240    1.7784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2194   -2.9336    2.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8436   -3.7282    0.7333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3229   -3.7293    0.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9533   -3.1319   -0.9349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2245   -1.6954   -0.9838 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3717   -0.7941   -1.7022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8136   -0.2417   -2.7465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0572   -0.4512   -1.2185 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1675    0.4202   -1.9666 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0871    0.2827   -0.5605 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4599    0.1549   -0.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0497    0.6369    0.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3522    0.4643    1.2765 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6589    0.9560    2.5076 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0539    0.8503    3.0659 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6271    2.2360    3.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0756   -0.0491    4.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5881    1.5293    3.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2276    1.4099    2.2163 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2651   -0.4492   -1.2102 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7859   -0.9497   -2.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6629   -1.5494   -3.2878 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0587   -4.0392   -6.5197 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3263   -2.4162   -7.3010 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6915   -3.5837   -7.1367 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4180   -2.3763   -5.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8778   -1.3475   -4.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4628    1.4852   -1.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0854    0.3460    0.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6701   -1.1717    0.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4274   -2.0121    0.0431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2252    1.6728    0.8028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8221    2.1670    1.9049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0952    4.1629   -2.7636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2827    2.5946   -3.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8434    2.6137   -2.2191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0990    5.0968   -1.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2576    4.1561   -0.2043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3596    4.1093    0.9773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2017    5.0652   -0.4866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0020    2.8892    3.0553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1302    2.5094    3.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6486    0.2282    3.7769 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3293    0.9377    4.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5602   -0.8265    3.3494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0494   -1.1946    1.5258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7325   -1.1297    0.9187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5752   -3.2463    2.8525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2735   -3.1731    2.2654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1678   -4.7792    0.8907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4330   -3.3564   -0.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7532   -3.2094    1.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9656   -4.7820    0.4459 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5315   -3.6420   -1.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8768   -3.3258   -1.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2268   -1.4111   -0.9194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448    0.0360   -3.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6001    1.4440   -2.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4479    0.7741    0.1580 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7064    0.3820    2.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6839    2.1476    3.7091 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0421    2.7351    4.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6007    2.8717    2.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6627   -1.0512    4.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4746    0.3963    5.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1202   -0.1869    4.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6220    1.9683    4.1838 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7204   -1.6093   -3.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  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  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  6
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  2  0
 19 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 15 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 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
  7 40  2  0
 40 41  1  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 45 47  1  0
 44 48  2  0
 48 49  1  0
 41 50  2  0
 50 51  1  0
 51 52  2  0
 52  3  1  0
 51  6  1  0
 39  9  1  0
 49 42  1  0
 38 11  1  0
 27 15  1  0
 25 22  1  0
  1 53  1  0
  1 54  1  0
  1 55  1  0
  4 56  1  0
  5 57  1  0
  9 58  1  1
 10 59  1  0
 10 60  1  0
 11 61  1  6
 14 62  1  0
 18 63  1  0
 23 64  1  0
 23 65  1  0
 23 66  1  0
 24 67  1  0
 24 68  1  0
 25 69  1  0
 25 70  1  0
 26 71  1  0
 26 72  1  0
 27 73  1  1
 28 74  1  0
 29 75  1  0
 30 76  1  0
 30 77  1  0
 31 78  1  0
 31 79  1  0
 32 80  1  0
 32 81  1  0
 33 82  1  0
 33 83  1  0
 34 84  1  0
 34 85  1  0
 35 86  1  0
 39 87  1  0
 39 88  1  0
 40 89  1  0
 45 90  1  0
 46 91  1  0
 46 92  1  0
 46 93  1  0
 47 94  1  0
 47 95  1  0
 47 96  1  0
 48 97  1  0
 52 98  1  0
M  END
$$$$
