
     RDKit          3D

 90 96  0  0  0  0  0  0  0  0999 V2000
    6.8576   -5.2748   -2.9260 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1241   -3.8985   -2.6635 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3195   -3.0673   -1.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1641   -3.5580   -1.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3770   -2.7216   -0.4359 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7293   -1.3750   -0.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9587   -0.4940    0.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7572   -0.9032    1.1013 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5707   -1.0785    0.3265 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5854   -1.9710    1.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7736   -1.5458    0.5102 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9295   -2.0047    1.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0353   -2.2596    0.8320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7742   -2.2792    2.7735 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6698   -1.2342    3.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8753   -1.2859    4.7419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1986   -0.8774    4.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4340    0.6411    4.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5514    1.0547    3.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4039    1.2119    1.8704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0754    1.0285    1.1677 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6595    2.2698    0.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0173    0.9802   -0.3618 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.3170    0.9150   -1.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0323   -0.1194   -1.0105 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7182    1.9950   -1.9585 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2775    2.0488   -2.7166 S   0  0  0  0  0  6  0  0  0  0  0  0
   -7.6960    3.4851   -2.8531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2864    1.3384   -1.8572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1701    1.3287   -4.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3820    0.5266   -4.7973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1027   -0.1888   -4.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9229    0.1429   -0.8684 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5416    0.5081   -0.8012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0985    1.3487   -1.6311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6621   -0.0204    0.3196 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8459    0.2505    0.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3814    0.7825    0.7043 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5248    1.2476    0.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9605    2.6487    0.3579 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2073    3.5146    1.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6310    4.8296    1.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8054    5.2963    0.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2181    6.5710    1.0243 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5595    4.4506   -0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1417    3.1337   -0.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2639    0.4159   -0.6505 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9002   -0.8764   -0.8714 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6850   -1.7124   -1.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9468   -1.1872   -2.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8839   -5.8567   -1.9809 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6379   -5.6694   -3.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8691   -5.3823   -3.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8631   -4.5905   -1.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5013   -3.1377    0.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8028   -1.5422   -0.6586 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6588   -1.7716    2.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7885   -3.0491    0.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8871   -2.0236   -0.4916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9159   -3.2681    3.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7470   -1.4086    4.3785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5876   -0.2339    3.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6765   -0.6307    5.6186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9726   -2.3261    5.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0403   -1.3755    4.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2269   -1.2402    3.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5111    1.2102    3.8870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7189    0.9125    5.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5259    1.2609    3.6347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2749    1.5217    1.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2309    0.5541    1.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4248    3.0734    0.3267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5851    2.5191    0.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0484    2.7737   -2.1462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5963    1.8404   -5.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2109    0.4224   -4.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5545    0.5248   -5.8929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5316   -0.6138   -5.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1875   -0.7102   -3.4005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1614   -0.7754   -1.3015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9627    0.4971    1.2529 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0937    0.6231   -0.9091 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1920    1.0114    0.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2937    3.1764    1.6458 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0489    5.4852    2.0360 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4703    4.8146   -0.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7464    2.5011   -0.8743 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8776   -0.0960   -2.5379 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292   -1.6808   -3.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8118   -1.3704   -1.6660 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  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  6
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  2  0
 27 30  1  0
 30 31  1  0
 31 32  1  0
 23 33  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  1  0
  7 38  2  0
 38 39  1  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 43 45  1  0
 45 46  2  0
 39 47  2  0
 47 48  1  0
 48 49  2  0
 49 50  1  0
 49  3  1  0
 48  6  1  0
 37  9  1  0
 46 40  1  0
 36 11  1  0
 23 21  1  0
 32 30  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  6
 14 60  1  0
 15 61  1  0
 15 62  1  0
 16 63  1  0
 16 64  1  0
 17 65  1  0
 17 66  1  0
 18 67  1  0
 18 68  1  0
 19 69  1  0
 20 70  1  0
 21 71  1  1
 22 72  1  0
 22 73  1  0
 26 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
 36 81  1  1
 37 82  1  0
 37 83  1  0
 41 84  1  0
 42 85  1  0
 45 86  1  0
 46 87  1  0
 50 88  1  0
 50 89  1  0
 50 90  1  0
M  END
$$$$
