
     RDKit          3D

 92 98  0  0  0  0  0  0  0  0999 V2000
    9.5115   -3.3722    2.6941 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1728   -2.1113    2.1261 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8984   -1.7692    1.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8247   -2.6823    1.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5740   -2.3333    1.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3699   -1.0642    0.6064 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1299   -0.6833    0.0675 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381   -1.5629    0.0956 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7746   -1.2684   -0.5047 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0603   -0.1145    0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2209   -0.6917    0.8269 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4512    0.0115    0.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6861    0.0435   -0.9164 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4124    0.5421    1.2481 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8234    0.6516    0.8897 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2648    1.9252    0.2240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6955    2.2845   -0.8397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3192    2.7219    0.7770 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1889    3.8697   -0.1888 S   0  0  0  0  0  6  0  0  0  0  0  0
   -7.6143    3.9384    0.2976 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1924    3.4236   -1.6275 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3807    5.4631   -0.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1701    6.5919   -0.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0637    6.5046    0.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7839   -0.1164    1.8003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4284   -0.6767    0.4262 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5473   -0.6350   -0.5794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4160   -1.6454   -0.7624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4622   -2.9184    0.0580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2208   -3.8294   -0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6401   -3.9248   -1.4709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3337   -4.7332   -1.5314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0951   -3.9385   -1.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9402   -3.9650    0.3887 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0919   -3.0522    1.1050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0808   -3.0887    2.3657 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2672   -2.0886    0.4247 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8532   -2.4821   -0.4124 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9893    0.5581   -0.4679 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0137    1.4518   -0.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8034    2.8129   -1.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.1651   -1.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3673    4.4548   -2.1195 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3834    5.4087   -2.0353 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6099    5.0719   -1.4599 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8219    3.7819   -0.9630 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2189    1.0965    0.0316 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4308   -0.1339    0.5755 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6947   -0.4767    1.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8441    0.5044    1.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8985   -3.5620    3.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3561   -4.1777    1.9505 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5797   -3.3631    2.9878 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9478   -3.6689    2.0993 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7652   -3.0522    1.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9300   -1.0084   -1.5729 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6948    0.3159    1.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8525    0.7002   -0.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1563   -0.6247    1.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1156    0.7977    2.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5970    2.6039    1.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2799    5.5419   -0.1974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1751    6.3309   -1.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5442    7.3880   -1.1891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3708    7.2490    1.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0057    6.1974    1.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3116   -0.6746    2.6372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8214    0.2720    1.8751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6944   -1.5009    0.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6266    0.2250   -1.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1616   -1.5313   -1.5465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3457   -3.5047   -0.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6302   -2.6533    1.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4628   -3.4887    0.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5095   -4.8473    0.2839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4492   -2.9190   -1.8972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3950   -4.4189   -2.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4338   -5.6838   -0.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1675   -5.0127   -2.5944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1911   -4.3970   -1.5181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1574   -2.8883   -1.4237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4706   -4.6704    0.9502 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4908   -2.7547   -1.4247 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3825   -3.3486    0.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7674    2.4451   -1.6986 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4163    4.7180   -2.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2219    6.4058   -2.4237 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    5.8112   -1.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7777    3.5501   -0.5075 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4826    1.5536    1.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3871    0.3711    0.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5579    0.3547    1.8791 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
 34 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  2  0
 44 45  1  0
 45 46  2  0
 40 47  2  0
 47 48  1  0
 48 49  2  0
 49 50  1  0
 49  3  1  0
 48  6  1  0
 38  9  1  0
 46 41  1  0
 37 11  1  0
 26 15  1  0
 24 22  1  0
  1 51  1  0
  1 52  1  0
  1 53  1  0
  4 54  1  0
  5 55  1  0
  9 56  1  6
 10 57  1  0
 10 58  1  0
 11 59  1  1
 14 60  1  0
 18 61  1  0
 22 62  1  0
 23 63  1  0
 23 64  1  0
 24 65  1  0
 24 66  1  0
 25 67  1  0
 25 68  1  0
 26 69  1  1
 27 70  1  0
 28 71  1  0
 29 72  1  0
 29 73  1  0
 30 74  1  0
 30 75  1  0
 31 76  1  0
 31 77  1  0
 32 78  1  0
 32 79  1  0
 33 80  1  0
 33 81  1  0
 34 82  1  0
 38 83  1  0
 38 84  1  0
 42 85  1  0
 43 86  1  0
 44 87  1  0
 45 88  1  0
 46 89  1  0
 50 90  1  0
 50 91  1  0
 50 92  1  0
M  END
$$$$
