B5048.sdf
  ChemDraw07141709402D

152152  0  0  0  0  0  0  0  0999 V2000
    1.8902    2.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6716   -5.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0114   -5.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7976    7.6342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0371    6.2255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7917   -4.9933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6915   -4.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4946    0.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5436   -5.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4167    2.2450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2101    4.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7366    3.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2602  -11.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3968    3.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4934  -10.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4304    4.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7309    6.9426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0315    9.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7957   -1.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8054   -6.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0963    1.2513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4713   -3.9996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9432   -9.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7173    4.9805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0178    7.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3184   10.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5088   -2.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0923   -7.7289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9096    1.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2846   -4.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5990  -10.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5499    3.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7866  -10.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7718   -6.7352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6974    6.7224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6324   -9.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6443   -1.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4850   -5.9616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5107    6.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5049   -4.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1298    1.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1995   -6.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8704    4.6220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2692   -0.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9568    3.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2574    6.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3319   -6.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5698    1.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9448   -4.6348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4659   -9.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5580    9.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2454   -7.3704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1709    7.3576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5459  -10.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1908    5.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4914    8.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7919   11.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1691   -1.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3456   -8.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0353   -2.8930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5658   -8.3641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4360    0.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8111   -3.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0763  -11.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.6768   -6.8424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0313   -3.5846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6563    0.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1572    5.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7702    3.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0450   -5.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8567    2.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0707    6.4457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5561   -0.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1315   -4.4965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4321   -7.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4578    8.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7326   -9.9676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3327   -7.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7444   -2.8111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4696    0.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6496   -9.1347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3713    9.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0764    2.9931    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3775    5.4774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6780    8.2130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9786   10.9485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3497   -6.3651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4457   -9.1941    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9311   -2.6728    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4559   -0.9874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5322   -8.1439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0570    4.4837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9705    5.5339    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6700    2.7983    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2317   -5.4083    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1452   -6.4585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7565    1.7481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8100   -8.2651    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2711    8.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3576    7.2192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8446   -3.7230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3694    0.0628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3452   -9.9015    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5266   -6.6468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4777    6.3893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7782    9.1248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0788   11.8604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6955   -2.3961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8720   -7.6470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8486   -2.7547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7484   -3.6665    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7525   -8.2258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8527   -9.1376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1492   -0.0191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2494    0.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5242   -2.7292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6244   -3.6411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7322  -11.8604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8977  -11.0337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6308    6.0307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2966    3.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5715   -4.9115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3302    3.2952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5972    5.8105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0297    0.5596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6050   -5.1317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9056   -7.8672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9313    8.7663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2061  -10.6028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5113   -7.6691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2709   -2.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9961    0.3394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1046   -8.5153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8977    8.5461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6581    9.9548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3563    1.7583    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4497   -5.8253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3439    5.2572    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7428   -0.2139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4833    2.9366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7839    5.6722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8583   -5.6850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0433    2.5217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4184   -5.2700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1217   -9.7647    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0844    8.4077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7189   -8.0056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6445    7.9928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2591   -9.3324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4266   -7.1865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5578   -2.9494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1827    0.2011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  1  1  0      
 12 11  1  0      
 14 11  1  0      
 15 13  1  0      
 24 16  1  0      
 25 17  1  0      
 26 18  1  0      
 27 19  1  0      
 28 20  1  0      
 29 21  1  0      
 30 22  1  0      
 31 23  1  0      
 32 12  1  0      
 33 13  1  0      
 38  2  1  0      
 38  3  1  0      
 38 34  1  0      
 39  4  1  0      
 39  5  1  0      
 39 35  1  0      
 40  6  1  0      
 40  7  1  0      
 41  8  1  1      
 41 10  1  0      
 42  9  1  0      
 43 14  1  0      
 44 19  1  0      
 45 16  1  0      
 46 17  1  0      
 47 20  1  0      
 48 21  1  0      
 49 22  1  0      
 50 23  1  0      
 51 18  1  0      
 52 34  1  0      
 53 35  1  0      
 54 15  1  0      
 55 24  1  0      
 56 25  1  0      
 57 26  1  0      
 58 37  1  0      
 59 36  1  0      
 60 27  1  0      
 61 28  1  0      
 62 29  1  0      
 63 30  1  0      
 64 31  1  0      
 65 42  1  0      
 66 40  1  0      
 67 41  1  0      
 68 43  1  0      
 69 45  1  0      
 70 47  1  0      
 71 48  1  0      
 72 46  1  0      
 73 44  1  0      
 74 49  1  0      
 75 52  1  0      
 76 53  1  0      
 54 77  1  6      
 78 65  1  0      
 79 66  1  0      
 80 67  1  0      
 81 50  1  0      
 82 51  1  0      
 83 32  1  0      
 84 55  2  0      
 85 56  2  0      
 86 57  2  0      
 65 87  1  1      
 88 36  1  0      
 88 77  2  0      
 89 37  1  0      
 89 79  2  0      
 90 44  1  0      
 90 58  2  0      
 91 52  1  0      
 91 59  2  0      
 92 43  1  0      
 92 69  2  0      
 93 46  1  0      
 93 68  2  0      
 94 45  1  0      
 94 71  2  0      
 95 49  1  0      
 95 70  2  0      
 96 47  1  0      
 96 75  2  0      
 97 48  1  0      
 97 80  2  0      
 98 50  1  0      
 98 78  2  0      
 99 51  1  0      
 99 76  2  0      
100 53  1  0      
100 72  2  0      
101 66  1  0      
101 74  2  0      
102 67  1  0      
102 73  2  0      
103 33  1  0      
103 54  1  0      
103 81  1  0      
 42104  1  1      
105 55  1  0      
106 56  1  0      
107 57  1  0      
108 58  1  0      
109 59  1  0      
110 60  2  0      
111 60  1  0      
112 61  2  0      
113 61  1  0      
114 62  2  0      
115 62  1  0      
116 63  2  0      
117 63  1  0      
118 64  2  0      
119 64  1  0      
120 68  1  0      
121 69  1  0      
122 70  1  0      
123 71  1  0      
124 72  1  0      
125 73  1  0      
126 74  1  0      
127 75  1  0      
128 76  1  0      
129 77  1  0      
130 78  1  0      
131 79  1  0      
132 80  1  0      
133 81  2  0      
134 82  2  0      
135 82  1  0      
 41136  1  6      
 42137  1  6      
 43138  1  1      
 44139  1  1      
 45140  1  6      
 46141  1  6      
 47142  1  1      
 48143  1  1      
 49144  1  6      
 50145  1  1      
 51146  1  6      
 52147  1  6      
 53148  1  1      
 54149  1  1      
 65150  1  6      
 66151  1  1      
 67152  1  6      
M  END
$$$$
