B5310.sdf
  ChemDraw07151715492D

 82 86  0  0  0  0  0  0  0  0999 V2000
    3.3351    3.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1220    3.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3010    2.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6930    2.3855    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9060    2.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7271    3.4386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2980    2.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0850    1.8279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4770    1.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690    0.7126    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0479   -0.0928    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4399   -0.6504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6345   -0.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6188   -1.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4058   -1.7035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5847   -2.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9767   -3.0665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3716   -2.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770   -2.5776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6194   -1.9696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5506   -3.5619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375   -3.8097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5164   -4.6150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9455   -3.2520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2268   -0.8981    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0108   -2.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1898   -2.8188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2239   -1.7657    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3841   -2.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1710   -2.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7790   -2.6332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3500   -1.2702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1369   -1.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3158   -0.2172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1027    0.0306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7078    0.3405    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8867    1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2788    1.7035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4577    2.5088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4918    1.4558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1162    2.0134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9031    1.7657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0820    0.9603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5111    2.3233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7242    2.5710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0628    2.8188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5452    3.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3322    3.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9402    3.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7612    4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3692    5.0493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9743    4.7394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3663    4.1818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4947    0.5882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6737    1.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8526    2.1989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6395    2.4467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9580   -1.8279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7449   -1.5802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5318   -1.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7939   -0.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6189   -0.5578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8666   -1.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6172   -1.6872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6959   -2.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0240   -2.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2735   -2.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1948   -1.8235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9921   -2.8810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2052   -3.1287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8132   -3.6863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6001   -3.4386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2081   -3.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0292   -4.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2422   -5.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6342   -4.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8823   -0.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4799    2.1378    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0879    2.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2668    1.8901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6959    3.2531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7300    4.3062    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  2  0      
  5  6  1  0      
  5  7  1  0      
  7  8  1  1      
  7  9  1  0      
  9 10  1  0      
 10 11  1  0      
 11 12  1  0      
 12 13  1  0      
 12 14  1  0      
 14 15  1  0      
 15 16  2  0      
 16 17  1  0      
 16 18  1  0      
 18 19  1  1      
 18 20  1  6      
 18 21  1  0      
 21 22  1  0      
 22 23  1  0      
 22 24  2  0      
 14 25  1  1      
 14 26  1  0      
 26 27  1  0      
 26 28  2  0      
 28 29  1  0      
 29 30  1  0      
 30 31  1  0      
 30 32  2  0      
 32 33  1  0      
 33 34  1  0      
 34 35  1  0      
 34 36  2  0      
 36 37  1  0      
 37 38  1  0      
 38 39  1  0      
 38 40  2  0      
 40 41  1  0      
 41 42  1  0      
 42 43  1  0      
 42 44  2  0      
  7 44  1  0      
 41 45  1  6      
 41 46  1  0      
 46 47  1  0      
 47 48  2  0      
 48 49  1  0      
 49 50  2  0      
 50 51  1  0      
 50 52  1  0      
 52 53  2  0      
 47 53  1  0      
 37 54  1  6      
 37 55  1  0      
 55 56  1  0      
 56 57  1  0      
 33 58  1  1      
 33 59  1  0      
 59 60  1  0      
 60 61  2  0      
 61 62  1  0      
 62 63  1  0      
 63 64  2  0      
 64 65  1  0      
 65 66  2  0      
 66 67  1  0      
 67 68  2  0      
 60 68  1  0      
 63 68  1  0      
 29 69  1  6      
 29 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      
 71 76  1  0      
 12 77  1  0      
  3 78  1  6      
  3 79  1  0      
 79 80  1  0      
 79 81  2  0      
  2 82  1  0      
M  END
$$$$
