
     RDKit          2D

 75 80  0  0  0  0  0  0  0  0999 V2000
    6.3316   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5816    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3316    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0816    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8060    1.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2047    2.0163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0164    2.7498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8193    3.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3766    4.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5150    5.5578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8777    6.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1020    5.3181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0161    7.6784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7918    8.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9302   10.0386    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2929   10.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4313   12.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7940   12.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0183   11.9195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8799   10.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5172    9.7989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3788    8.3053    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1170    3.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5275    5.3686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4597    3.2572    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4703    2.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7456    2.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0121    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4866    1.0256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0121   -0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4866   -1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4703   -2.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4597   -3.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1170   -3.9258    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.3766   -4.0642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8193   -3.6537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0164   -2.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1249   -3.7603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8060   -1.4745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2047   -2.0163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3612   -5.0524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8357   -4.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3612   -6.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8357   -6.8281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8193   -7.9512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0947   -8.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8088   -9.0597    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5339   -9.7283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1234  -11.1710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0275   -9.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1659  -11.3603    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5286  -11.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7529  -11.1206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6670  -13.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4428  -14.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5812  -15.8411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9439  -16.4680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0823  -17.9616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4450  -18.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6692  -17.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5308  -16.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1681  -15.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0297  -14.1078    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4703   -9.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6673   -8.5522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4570   -7.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8557   -7.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7326   -5.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2326   -5.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9826   -4.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9826   -7.1015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4570   -4.3280    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8557   -3.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6673   -3.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7758   -2.0421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  4  2  1  6
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  6
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
  9 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  6
 26 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  1
 37 38  2  0
 37 39  1  0
 39 40  1  0
 36 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  2  0
 43 45  1  0
 45 46  1  6
 45 47  1  0
 47 48  1  0
 48 49  2  0
 48 50  1  0
 50 51  1  6
 51 52  1  0
 52 53  2  0
 52 54  1  0
 54 55  2  0
 55 56  1  0
 56 57  2  0
 57 58  1  0
 58 59  2  0
 59 60  1  0
 60 61  2  0
 61 62  1  0
 62 63  2  0
 50 64  1  0
 64 65  1  0
 65 66  1  0
 66 67  2  0
 66 68  1  0
 68 69  1  6
 69 70  1  0
 69 71  1  0
 68 72  1  0
 72 73  1  0
 72 74  1  0
 74 75  2  0
 39  4  1  0
 63 54  1  0
 22 13  1  0
 32 74  1  1
 21 16  1  0
 62 57  1  0
M  END
