
     RDKit          3D

 96102  0  0  0  0  0  0  0  0999 V2000
    7.0237   -5.6665    0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1161   -4.2556    0.1769 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0553   -3.3581   -0.0207 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7684   -3.7945   -0.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7341   -2.8759   -0.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9640   -1.5021   -0.3929 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9331   -0.5584   -0.5605 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6538   -1.0139   -0.9225 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4461   -0.2488   -0.9040 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0007   -0.0012    0.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7065   -1.2904    0.9340 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6606   -1.1193    2.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6360   -1.9663    3.0276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5464    0.0041    2.2148 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6850    0.2237    1.3234 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5883    1.3867    0.3723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9345    1.2534   -0.6951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1972    2.6482    0.6954 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1262    4.0169   -0.3695 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.9415    3.5593   -1.7894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9673    4.8918    0.0261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6811    4.9006   -0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5805    6.4076   -0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9677    5.5174    1.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0316    0.0519    2.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5725   -0.9924    1.0317 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.3556   -0.9862   -0.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1564   -1.9932   -0.6431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3813   -3.2598    0.1443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7297   -4.4767   -0.5293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1909   -4.5026   -0.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4941   -3.8222   -1.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0400   -4.0151   -1.5295 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4009   -5.0767   -2.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2545   -3.3313   -0.5327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3765   -3.9792    0.1009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625   -1.8266   -0.3581 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6677   -1.0929   -1.5179 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2142    0.8054   -0.3646 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5140    1.2084   -0.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8589    2.6269    0.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1019    3.0382    0.5182 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1846    4.3904    0.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4832    5.0683    0.9963 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9552    5.9791   -0.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3491    5.8540    2.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9940    5.0759    0.3943 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8133    3.9391    0.0252 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.4847    0.2715    0.1405 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2544   -1.0572   -0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2941   -1.9847    0.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9061   -1.4305    0.6026 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0091   -6.1195    0.2565 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2657   -6.0779    0.7140 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7599   -5.9159   -1.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5553   -4.8441   -0.5284 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7568   -3.2486   -0.8519 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5689    0.6981   -1.4754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6909    0.8664    0.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8554    0.2180    1.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1048   -1.9753    1.2674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5252    0.5449    3.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6830    2.7661    1.6142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5730    4.5252   -0.8262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4326    6.9857   -0.5123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5617    6.8404   -0.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1710    5.4051    1.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0453    5.5592    1.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8756    0.6842    1.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9854   -0.3072    3.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2065   -1.9417    1.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2760   -0.1369   -0.9334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6593   -1.9098   -1.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4793   -3.4350    0.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0538   -3.1789    1.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0634   -4.5595   -1.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1147   -5.3812   -0.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8486   -4.0545    0.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8695   -5.5681   -0.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8771   -4.2646   -2.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7344   -2.7437   -1.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3346   -6.0024   -1.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3814   -4.7603   -2.6191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9740   -5.2937   -3.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4252   -1.5359   -0.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3956   -0.4281   -2.0351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2618   -1.7891   -2.2872 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4392    1.5457   -0.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2594    4.2858    1.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2368    6.8105   -0.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0579    5.3933   -1.0816 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9474    6.4091    0.1048 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0224    5.1759    3.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3296    6.2931    2.5869 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6095    6.6772    2.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8524    6.1471    0.4280 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
 23 24  1  0
 15 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
  7 39  2  0
 39 40  1  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 44 46  1  0
 43 47  2  0
 47 48  1  0
 40 49  2  0
 49 50  1  0
 50 51  2  0
 51 52  1  0
 51  3  1  0
 50  6  1  0
 38  9  1  0
 48 41  1  0
 37 11  1  0
 26 15  1  0
 24 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  6
 10 59  1  0
 10 60  1  0
 11 61  1  1
 14 62  1  0
 18 63  1  0
 22 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  1
 27 72  1  0
 28 73  1  0
 29 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
 34 82  1  0
 34 83  1  0
 34 84  1  0
 37 85  1  1
 38 86  1  0
 38 87  1  0
 39 88  1  0
 44 89  1  0
 45 90  1  0
 45 91  1  0
 45 92  1  0
 46 93  1  0
 46 94  1  0
 46 95  1  0
 47 96  1  0
M  END
$$$$
