REMARK  Name = BDB014574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.111  -2.765   2.143  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.636  -1.737   1.355  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        1.164  -1.537   0.501  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.828  -2.878   3.335  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        1.956  -3.815   1.413  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        2.731  -3.357   0.313  0.00  0.00    -0.481 OA
BRANCH   6  10
ATOM      7  C   LIG    1        5.042   0.775   0.025  0.00  0.00    +0.127 A 
ATOM      8  C   LIG    1        5.030  -0.534   0.524  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1        3.898  -1.290   0.198  0.00  0.00    +0.117 A 
ATOM     10  C   LIG    1        3.825  -2.603   0.682  0.00  0.00    +0.147 A 
ATOM     11  C   LIG    1        4.858  -3.179   1.430  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1        5.981  -2.425   1.746  0.00  0.00    +0.004 A 
ATOM     13  N   LIG    1        2.896  -0.784  -0.543  0.00  0.00    -0.232 NA
ATOM     14  C   LIG    1        3.043   0.465  -1.000  0.00  0.00    +0.224 A 
ATOM     15  C   LIG    1        6.068  -1.109   1.300  0.00  0.00    +0.013 A 
ATOM     16  N   LIG    1        4.067   1.283  -0.739  0.00  0.00    -0.221 NA
BRANCH   7  17
ATOM     17  N   LIG    1        6.103   1.652   0.279  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        6.261   1.763   1.274  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        5.867   2.538  -0.163  0.00  0.00    +0.144 HD
ENDBRANCH   7  17
ENDBRANCH   6  10
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  20
ATOM     20  C   LIG    1       -0.130  -0.660   1.953  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -0.833   0.249   0.927  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1        0.154   0.926   0.138  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        0.743   1.395   0.755  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -1.800  -0.557   0.023  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -2.759   0.183  -0.819  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -3.791   0.880  -0.039  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -4.764   1.666  -0.896  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -4.428   2.041  -2.210  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -5.330   2.794  -2.972  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -6.549   3.196  -2.426  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.877   2.844  -1.119  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.128   1.573  -2.816  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -5.989   2.085  -0.356  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -2.117   1.110  -1.758  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9