
     RDKit          2D

112116  0  0  0  0  0  0  0  0999 V2000
   18.4572   -0.9939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9600   -1.0856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2907   -2.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1320    0.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6348    0.0736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6025   -1.4261    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3238   -2.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7696   -3.2994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8063   -4.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0641   -5.6114    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1175   -6.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1990   -7.8144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9923   -7.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8879   -8.9702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2936  -10.3474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7192   -8.5601    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3328   -9.1329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7892  -10.5618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8712   -9.4697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3740   -9.5613    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8821   -9.4053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6034  -10.8791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4363   -9.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0759   -8.3738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1619   -7.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1085   -8.6901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2433   -6.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3685   -7.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7902   -7.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9154   -7.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3370   -7.5139    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4622   -8.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8839   -8.0273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1658   -9.9762    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1389   -5.2838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8243   -3.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2106   -4.5223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2806   -2.5206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6261   -3.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6726   -2.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9739   -0.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4956   -1.0361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4633    0.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9551    0.6196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1846    1.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6304    2.3369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0074    3.7888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1680    4.8461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4532    4.1882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8302    5.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2760    6.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3449    4.9872    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7907    5.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1677    6.8385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8596    4.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3054    4.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3742    3.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9973    2.2295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5515    1.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4826    2.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0662    1.1771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -16.5120    1.5766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6892   -0.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7581   -1.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3811   -2.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.4500   -3.8314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -17.8958   -3.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9646   -4.4843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -20.4105   -4.0849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -21.4793   -5.1373    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -20.7874   -2.6330    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -19.7186   -1.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.0955   -0.1288    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -18.2727   -1.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.2039   -0.9277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6530    7.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0988    7.8909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5841    8.5438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6671    3.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1570    3.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2695    4.5535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9249    4.6489    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9783    5.8125    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1469    6.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4201    7.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8064    8.1704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2681    8.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0531    9.9917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7653    8.5988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2571    8.4428    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7030    8.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2205    9.4512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0633    7.4113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3011    6.5640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3826    5.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5078    6.5165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2782    4.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9635    2.9870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4199    1.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8816    1.8949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5513    5.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8748    4.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5009    6.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8055    8.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3055    8.7239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0477   10.0093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7347    8.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5476   10.1925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7635    9.0055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1667   -4.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2995   -6.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3942   -4.0777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  6
  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  2  0
 11 13  1  0
 13 14  1  6
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  6
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 32 34  1  0
 27 35  1  0
 35 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  6
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  2  0
 43 45  1  0
 45 46  1  1
 46 47  1  0
 47 48  2  0
 47 49  1  0
 49 50  1  0
 51 50  1  6
 51 52  1  0
 52 53  1  0
 53 54  2  0
 53 55  1  0
 55 56  2  0
 56 57  1  0
 57 58  2  0
 58 59  1  0
 59 60  2  0
 58 61  1  0
 61 62  1  0
 61 63  1  0
 63 64  1  0
 64 65  2  0
 65 66  1  0
 66 67  2  0
 67 68  1  0
 68 69  2  0
 69 70  1  0
 69 71  1  0
 71 72  2  0
 72 73  1  0
 72 74  1  0
 74 75  2  0
 51 76  1  0
 76 77  1  0
 76 78  2  0
 45 79  1  0
 79 80  1  0
 79 81  1  0
 79 82  1  0
 82 83  1  0
 83 84  1  0
 84 85  1  0
 85 86  1  0
 86 87  1  0
 87 88  2  0
 87 89  1  0
 89 90  1  0
 90 91  1  0
 91 92  2  0
 91 93  1  0
 93 94  1  6
 94 95  1  0
 95 96  2  0
 95 97  1  0
 97 98  1  0
 98 99  1  0
 99100  2  0
 97101  1  6
101102  1  0
101103  1  0
 93104  1  0
104105  1  6
104106  1  0
 85107  1  1
107108  1  0
107109  2  0
  9110  1  6
110111  1  0
110112  1  0
 99  5  1  0
 42 38  1  0
 60 55  1  0
 75 64  1  0
 74 67  1  0
M  END
$$$$
