
     RDKit          2D

111116  0  0  0  0  0  0  0  0999 V2000
   -9.0060   11.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0605   10.4099    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6638    8.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7183    7.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3216    6.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3760    5.3831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9793    3.9365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5282    3.5567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0338    2.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6371    1.4230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6916    0.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2949   -1.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3493   -2.1572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9527   -3.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5015   -3.9836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4471   -2.9167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8438   -1.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1049   -5.4302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1593   -6.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7626   -7.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8171   -9.0104    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -9.6537   -5.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2570   -7.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8059   -7.6363    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -8.8704    6.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4738    4.6235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8160    7.1370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0593    8.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7268    9.3059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5008   10.7888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6599    8.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3331    6.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6443    5.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4539    4.3157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1460    5.5087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4572    4.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9588    4.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2700    2.7739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2283    2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9171    1.3717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4155    1.3019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1043   -0.0306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2251    2.5646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2668    2.9134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7652    2.9832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5780    1.5809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3876    0.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6988   -1.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2005   -1.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5117   -2.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0133   -2.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6755   -3.8189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8860    0.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5748    1.7204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6956   -0.8748    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0068   -2.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5239   -2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2806   -3.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9402   -4.5866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6870   -3.7624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8529   -6.0841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5125   -6.7573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1800   -6.0685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8869   -7.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3670   -6.8797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8964   -5.4762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3178   -8.0398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7979   -7.7965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4711   -6.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9540   -6.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0084   -5.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6117   -4.1687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4595   -5.9950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5140   -4.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2707   -3.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6032   -2.7593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8292   -1.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6580   -0.3392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2264   -0.7307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4524    0.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8496    1.2979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0756    2.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4728    3.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6988    4.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0960    5.3551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2812    1.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8840    1.1436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5072    3.1722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3360    4.1094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5620    5.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3908    6.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6168    8.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4456    8.9495    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6716   10.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5004   11.3695    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0688   10.9781    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9388    3.5637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7676    4.5008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7128    2.0808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6700   -3.8137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1502   -3.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9969   -5.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1973   -8.1622    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5377   -8.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8647   -8.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2137   -8.4634    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9025   -9.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2692   -8.2374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6132   -4.6022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8392   -6.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6800   -3.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 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
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 18 22  1  0
 22 23  1  0
 23 24  1  0
  5 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  6
 29 31  1  0
 31 32  1  0
 32 33  1  1
 33 34  2  0
 33 35  1  0
 35 36  1  0
 36 37  1  1
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 41 43  1  0
 36 44  1  0
 44 45  2  0
 44 46  1  0
 46 47  1  0
 47 48  1  1
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 47 53  1  0
 53 54  2  0
 53 55  1  0
 55 56  1  0
 56 57  1  0
 57 58  2  0
 58 59  1  0
 59 60  2  0
 59 61  1  0
 61 62  1  0
 62 63  1  0
 63 64  2  0
 64 65  1  0
 65 66  2  0
 65 67  1  0
 67 68  1  0
 68 69  1  0
 69 70  2  0
 70 71  1  0
 71 72  2  0
 71 73  1  0
 73 74  1  0
 74 75  1  0
 75 76  2  0
 76 77  1  0
 77 78  2  0
 77 79  1  0
 79 80  1  0
 80 81  1  6
 81 82  1  0
 82 83  1  0
 83 84  1  0
 84 85  1  0
 80 86  1  0
 86 87  2  0
 86 88  1  0
 88 89  1  0
 89 90  1  6
 90 91  1  0
 91 92  1  0
 92 93  1  0
 93 94  2  0
 94 95  1  0
 94 96  1  0
 89 97  1  0
 97 98  1  0
 97 99  2  0
 76100  1  0
100101  1  0
100102  1  0
 70103  1  0
103104  1  0
103105  1  0
 64106  1  0
106107  1  0
106108  1  0
 58109  1  0
109110  1  0
109111  1  0
 17 12  1  0
 32 27  1  0
111 56  2  0
108 62  2  0
105 68  2  0
102 74  2  0
M  END
$$$$
