REMARK  Name = BDB061245
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.105   2.809  -0.137  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -2.340   2.214  -0.468  0.00  0.00    +0.151 A 
ATOM      3  C   LIG    1       -3.193   2.791  -1.418  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1       -4.471   2.101  -1.719  0.00  0.00    +0.197 A 
ATOM      5  C   LIG    1       -4.715   0.829  -1.019  0.00  0.00    +0.098 A 
ATOM      6  C   LIG    1       -3.815   0.377  -0.139  0.00  0.00    +0.139 A 
ATOM      7  O   LIG    1       -5.318   2.511  -2.501  0.00  0.00    -0.287 OA
ATOM      8  C   LIG    1       -2.810   3.982  -2.047  0.00  0.00    +0.135 A 
ATOM      9  C   LIG    1       -1.594   4.591  -1.729  0.00  0.00    +0.092 A 
ATOM     10  O   LIG    1       -2.652   1.044   0.187  0.00  0.00    -0.454 OA
ATOM     11  C   LIG    1       -0.756   4.004  -0.781  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -4.005  -0.890   0.592  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1       -4.446  -2.054  -0.060  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -4.601  -3.253   0.643  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -4.311  -3.292   2.002  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1       -3.867  -2.156   2.666  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -3.711  -0.960   1.962  0.00  0.00    +0.015 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -4.446  -4.438   2.726  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1       -4.746  -5.147   2.134  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH   6  12
BRANCH   8  20
ATOM     20  O   LIG    1       -3.614   4.572  -2.980  0.00  0.00    -0.506 OA
ATOM     21  H   LIG    1       -3.213   5.388  -3.318  0.00  0.00    +0.292 HD
ENDBRANCH   8  20
BRANCH  11  22
ATOM     22  O   LIG    1        0.425   4.613  -0.457  0.00  0.00    -0.506 OA
ATOM     23  H   LIG    1        0.609   5.326  -1.089  0.00  0.00    +0.292 HD
ENDBRANCH  11  22
BRANCH   1  24
ATOM     24  C   LIG    1       -0.170   2.170   0.872  0.00  0.00    +0.127 C 
BRANCH  24  30
ATOM     25  O   LIG    1        3.195  -2.912  -1.055  0.00  0.00    -0.275 OA
ATOM     26  C   LIG    1        3.505  -2.049  -0.223  0.00  0.00    +0.219 C 
ATOM     27  N   LIG    1        2.675  -0.943  -0.001  0.00  0.00    -0.299 N 
ATOM     28  C   LIG    1        3.122   0.267   0.690  0.00  0.00    +0.123 C 
ATOM     29  C   LIG    1        1.951   1.084   1.267  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1        0.917   1.383   0.256  0.00  0.00    -0.295 NA
ATOM     31  C   LIG    1        0.426   0.111  -0.317  0.00  0.00    +0.103 C 
ATOM     32  C   LIG    1        1.557  -0.740  -0.923  0.00  0.00    +0.123 C 
BRANCH  26  33
ATOM     33  C   LIG    1        4.806  -2.149   0.630  0.00  0.00    +0.075 C 
ATOM     34  C   LIG    1        6.042  -1.342   0.144  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1        6.547  -2.625  -0.539  0.00  0.00    +0.001 C 
ATOM     36  C   LIG    1        5.687  -3.420   0.457  0.00  0.00    +0.013 C 
ENDBRANCH  26  33
ENDBRANCH  24  30
ENDBRANCH   1  24
TORSDOF 7