
     RDKit          2D

118125  0  0  0  0  0  0  0  0999 V2000
  -17.0684    3.5572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.6410    4.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5282    3.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3264    5.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8989    5.9455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7861    4.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3586    5.4005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0440    6.8672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1568    7.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5843    7.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6165    7.3280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3019    8.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5037    6.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8183    4.8556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0763    6.7831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9634    5.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5360    6.2381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4231    5.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9957    5.6932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6811    7.1598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8829    4.6874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5446    5.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6574    4.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0849    4.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1977    3.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8831    2.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4556    1.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3428    2.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2781    4.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7055    3.8498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1652    3.3048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4798    1.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9073    1.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2219   -0.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6494   -0.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7622    0.4557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9640   -2.0167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3915   -2.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7061   -3.9442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1335   -4.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4482   -5.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3353   -6.8775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9079   -6.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5933   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3670    0.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9396    1.2933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6816   -0.6342    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5688   -1.6400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8834   -3.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7706   -4.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0852   -5.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5127   -6.0399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9724   -6.5848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2870   -8.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1742   -9.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4888  -10.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3760  -11.5297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0515  -11.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3661   -9.6022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2532   -8.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414   -1.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8267    0.2875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0285   -2.1849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3989   -1.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5117   -2.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9392   -2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0520   -3.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3919   -4.6218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4795   -2.8140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5923   -3.8198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0198   -3.3589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1326   -4.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5600   -3.9039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8747   -2.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7618   -1.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3344   -1.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7135   -0.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3993    0.7483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1410    0.2034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2538   -0.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9392   -2.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0520   -3.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7374   -4.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8502   -5.7473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -5.2023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9953   -6.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5679   -7.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2532   -8.5964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1742   -9.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2870   -8.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9724   -6.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5450   -6.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6813   -0.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7941   -1.3474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9959    1.1251    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4234    1.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7380    3.0525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1654    3.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4801    4.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3672    5.9858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9075    5.4409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2221    6.9075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6496    7.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7624    6.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1899    6.8234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5045    8.2900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3917    9.2958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9642    8.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5362    0.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2216   -0.8865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9636    1.0410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0765    0.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5039    0.4960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6168   -0.5098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0442   -0.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3588    1.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2460    2.4235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8185    1.9626    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
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  1
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 16 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  6
 33 34  1  0
 34 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  2  0
 32 45  1  0
 45 46  2  0
 45 47  1  0
 47 48  1  0
 48 49  1  6
 49 50  1  0
 50 51  1  0
 51 52  2  0
 51 53  1  0
 53 54  1  0
 54 55  1  0
 55 56  2  0
 56 57  1  0
 57 58  2  0
 58 59  1  0
 59 60  2  0
 48 61  1  0
 61 62  2  0
 61 63  1  0
 63 64  1  0
 64 65  1  6
 65 66  1  0
 66 67  1  0
 67 68  2  0
 67 69  1  0
 69 70  1  0
 70 71  1  0
 71 72  2  0
 72 73  1  0
 73 74  2  0
 74 75  1  0
 75 76  2  0
 64 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  2  0
 83 85  1  0
 85 86  1  0
 86 87  1  0
 87 88  2  0
 88 89  1  0
 89 90  2  0
 90 91  1  0
 91 92  2  0
 80 93  1  0
 93 94  2  0
 93 95  1  0
 95 96  1  0
 96 97  1  1
 97 98  1  0
 98 99  1  0
 99100  2  0
 99101  1  0
101102  1  0
102103  1  0
103104  2  0
104105  1  0
105106  2  0
106107  1  0
107108  2  0
 96109  1  0
109110  2  0
109111  1  0
111112  1  0
112113  1  0
113114  2  0
114115  1  0
115116  2  0
116117  1  0
117118  2  0
 10  5  1  0
 28 23  1  0
 44 39  1  0
 60 55  1  0
 76 71  1  0
 92 87  1  0
108103  1  0
118113  1  0
M  END
$$$$
