B5382.sdf
  ChemDraw07171710282D

 78 81  0  0  0  0  0  0  0  0999 V2000
    5.8199   -1.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0003   -1.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6722   -1.0003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8526   -0.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3440   -0.2433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3612   -1.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6893   -2.3256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5416   -1.4744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0501   -2.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2305   -2.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7391   -2.7054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9024   -1.2858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0828   -1.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4087   -1.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2283   -1.7599    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6337   -1.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4424   -1.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5366   -2.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7863   -2.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2403   -2.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0489   -3.1496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5029   -3.7681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8575   -3.3132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1202   -4.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9288   -4.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1914   -5.0410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4748   -3.6404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2834   -3.8040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8294   -3.1855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6380   -3.3491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5667   -2.4035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3828   -4.8774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5742   -4.7138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7655   -4.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2196   -5.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4109   -5.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1350   -5.6235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0805   -2.6111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7368   -1.0972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2454   -0.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0650   -0.3403    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3931    0.4166    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9017    1.0793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0821    0.9850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4094    1.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0812    2.4046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2290    1.5534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7204    2.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5400    2.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0315    2.7844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8682    1.3648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6878    1.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0159    0.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8355    0.4193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5245   -0.1491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3596    2.0274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1792    1.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9988    1.8389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4902    2.5015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3098    2.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6380    1.6503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1465    0.9877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3269    1.0820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2119    2.8787    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    2.9729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8837    3.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7033    3.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1948    4.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8666    4.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3581    5.6235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0470    5.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5556    4.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5587   -2.7997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4767   -3.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2963   -3.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7877   -2.5527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6244   -3.9722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5089   -2.4199    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      
  4  5  1  6      
  4  6  1  0      
  6  7  1  0      
  6  8  2  0      
  8  9  1  0      
  9 10  1  0      
 10 11  1  0      
 10 12  2  0      
 12 13  1  0      
 13 14  1  0      
 14 15  1  0      
 15 16  1  0      
 16 17  1  0      
 17 18  1  0      
 18 19  1  0      
 15 19  1  0      
 19 20  1  1      
 19 21  1  6      
 21 22  1  0      
 21 23  2  0      
 23 24  1  0      
 24 25  1  0      
 25 26  1  0      
 25 27  2  0      
 27 28  1  0      
 28 29  1  0      
 29 30  1  0      
 29 31  2  0      
 24 32  1  6      
 24 33  1  0      
 33 34  1  0      
 34 35  1  0      
 35 36  1  0      
 36 37  1  0      
 14 38  2  0      
 13 39  1  1      
 13 40  1  0      
 40 41  1  0      
 41 42  1  0      
 42 43  1  0      
 43 44  1  0      
 44 45  1  0      
 45 46  1  0      
 45 47  2  0      
 47 48  1  0      
 48 49  1  0      
 49 50  1  0      
 49 51  2  0      
 51 52  1  0      
 52 53  1  0      
 53 54  1  0      
 53 55  2  0      
  4 55  1  0      
 52 56  1  6      
 52 57  1  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      
 58 63  1  0      
 48 64  1  6      
 48 65  1  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      
 66 72  1  0      
  9 73  1  6      
  9 74  1  0      
 74 75  1  0      
 75 76  1  0      
 75 77  2  0      
  2 78  1  0      
M  END
$$$$
