B5127.sdf
  ChemDraw07141715162D

130131  0  0  0  0  0  0  0  0999 V2000
   -1.3168   -2.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0689    2.9854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3856   -6.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3307   -2.9453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5514  -11.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1381   -3.1148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7802   -3.5597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2945  -11.1877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.0009  -12.5862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6430    9.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4502    6.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0644    0.4874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1935    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0007    5.5939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6149   -0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4588    1.2078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9270    6.9288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1198    9.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3950   -3.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0371   -4.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4872  -11.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1935  -12.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8356    8.8994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6428    6.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2570    0.3179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7157    0.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6701    6.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8629    9.0053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0009    8.6239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8081    5.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4223    0.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0093    1.8222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3765    7.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5693   10.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1014   -5.2972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1293  -11.4632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0650  -10.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7438   -8.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8721   -7.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3580   -3.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4772    3.2843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4863   -1.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8994    3.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1287   -5.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8445   -4.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9366  -11.6327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2851    9.5138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0923    6.6533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7065    0.9323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1652   -0.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2206    5.5303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4134    8.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5509   -5.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0277    2.6698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8081   -9.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9364   -8.6027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5506   -2.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6152   -6.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6792   -4.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5420   10.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2295   -1.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1563    4.5768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2208    8.5603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3492    7.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6422   -0.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0280    5.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9634    1.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7435   -5.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8351    2.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4223   -4.0047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3029    3.2207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0829    8.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2757   11.8022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5514    8.0095    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3586    5.1490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9728   -0.5720    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9915   10.9123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1103    3.0512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0460    4.0047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2755    8.7722    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3397    9.7257    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4683   11.6327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5326   12.5862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8724  -10.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7524    2.6062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6334    8.3272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8262   11.1877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0007   -9.5562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6795   -7.8187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6149   -3.8352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2937   -2.0977    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0920    3.6233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8078   -6.6957    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4777    9.3443    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4221   -0.9747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9637    4.7463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    6.4838    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8991    0.7628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1566    7.6068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7708    1.8858    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4866   -4.9582    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7341    4.0683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5782   -6.0176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3586   -9.1112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3859   -9.2171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0001   -3.4961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1657   -6.2507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3494   10.4674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7800   -0.5297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6058    5.1913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7713    7.9459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7987    8.0518    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1927   -0.6356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5785    5.0854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4129    2.3308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1930   -6.3566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3856    2.2249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9728   -3.3902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7024   -2.1851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6834    3.5360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3213   -5.2336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7346   10.1283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5418    7.2678    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1560    1.5468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3853   -0.8051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7711    4.9159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9640    7.7764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0004   -6.5262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5782    2.0554    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2297   -4.1742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  4  2  0      
  7  4  1  0      
  8  5  2  0      
  9  5  1  0      
 13 10  1  0      
 14 11  1  0      
 15 12  1  0      
 19  6  1  0      
 20  7  2  0      
 21  8  1  0      
 22  9  2  0      
 23 10  1  0      
 24 11  1  0      
 25 12  1  0      
 26 16  1  0      
 27 17  1  0      
 28 18  1  0      
 29 13  1  0      
 30 14  1  0      
 31 15  1  0      
 32 16  1  0      
 33 17  1  0      
 34 18  1  0      
 42  1  1  6      
 43  2  1  6      
 44  3  1  0      
 45 19  2  0      
 45 20  1  0      
 45 35  1  0      
 46 21  2  0      
 46 22  1  0      
 46 36  1  0      
 47 23  1  0      
 48 24  1  0      
 49 25  1  0      
 50 26  1  0      
 51 27  1  0      
 52 28  1  0      
 53 35  1  0      
 54 41  1  0      
 55 37  1  0      
 56 38  1  0      
 57 40  1  0      
 58 39  1  0      
 59 44  1  0      
 60 47  1  0      
 61 42  1  0      
 62 43  1  0      
 63 52  1  0      
 64 48  1  0      
 65 50  1  0      
 66 51  1  0      
 67 49  1  0      
 68 53  1  0      
 69 54  1  0      
 70 59  1  0      
 74 29  1  0      
 75 30  1  0      
 76 31  1  0      
 77 60  2  0      
 78 71  2  0      
 79 71  1  0      
 80 72  2  0      
 81 72  1  0      
 82 73  2  0      
 83 73  1  0      
 84 36  1  0      
 84 37  1  0      
 85 32  1  0      
 85 71  1  0      
 86 33  1  0      
 86 72  1  0      
 87 34  1  0      
 87 73  1  0      
 88 38  1  0      
 88 55  2  0      
 89 39  1  0      
 89 56  2  0      
 90 40  1  0      
 90 70  2  0      
 91 42  1  0      
 91 57  2  0      
 92 43  1  0      
 92 69  2  0      
 93 53  1  0      
 93 58  2  0      
 94 47  1  0      
 94 63  2  0      
 95 50  1  0      
 95 61  2  0      
 96 51  1  0      
 96 62  2  0      
 97 48  1  0      
 97 66  2  0      
 98 49  1  0      
 98 65  2  0      
 99 52  1  0      
 99 64  2  0      
100 54  1  0      
100 67  2  0      
101 59  1  0      
101 68  2  0      
102 41  1  0      
 44103  1  6      
104 55  1  0      
105 56  1  0      
106 57  1  0      
107 58  1  0      
108 60  1  0      
109 61  1  0      
110 62  1  0      
111 63  1  0      
112 64  1  0      
113 65  1  0      
114 66  1  0      
115 67  1  0      
116 68  1  0      
117 69  1  0      
118 70  1  0      
 42119  1  1      
 43120  1  1      
121 44  1  0      
 47122  1  1      
 48123  1  1      
 49124  1  1      
 50125  1  6      
 51126  1  6      
 52127  1  6      
 53128  1  6      
 54129  1  6      
 59130  1  1      
M  END
$$$$
