REMARK  Name = BDB007751
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.554   0.597  -0.994  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.529  -0.235  -0.819  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.416  -1.240  -0.801  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.492   1.816  -0.881  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        4.247   0.004  -1.167  0.00  0.00    +0.120 A 
ATOM      6  N   LIG    1        4.336  -1.178  -1.807  0.00  0.00    -0.240 NA
ATOM      7  C   LIG    1        3.195  -1.778  -2.209  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        1.935  -1.261  -1.982  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        1.853  -0.055  -1.293  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        3.022   0.592  -0.887  0.00  0.00    +0.056 A 
BRANCH   5  11
ATOM     11  N   LIG    1        5.424   0.638  -0.711  0.00  0.00    -0.323 N 
ATOM     12  H   LIG    1        5.377   1.620  -0.973  0.00  0.00    +0.148 HD
BRANCH  11  17
ATOM     13  C   LIG    1       10.146  -0.044   1.607  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        9.162  -1.069   1.109  0.00  0.00    +0.213 C 
ATOM     15  N   LIG    1        8.297  -0.621   0.147  0.00  0.00    -0.298 N 
ATOM     16  C   LIG    1        7.843   0.731  -0.146  0.00  0.00    +0.131 C 
ATOM     17  C   LIG    1        6.726   0.077  -0.985  0.00  0.00    +0.106 C 
ATOM     18  C   LIG    1        7.026  -1.235  -0.231  0.00  0.00    +0.131 C 
ATOM     19  O   LIG    1        9.145  -2.216   1.548  0.00  0.00    -0.276 OA
ENDBRANCH  11  17
ENDBRANCH   5  11
ENDBRANCH   1   9
BRANCH   2  20
ATOM     20  C   LIG    1       -1.864   0.293  -0.556  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.015   0.821   0.880  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -1.727  -0.223   1.823  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -0.808  -0.487   1.644  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.410   1.436   1.144  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.575   0.661   0.662  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -5.787   1.508   0.732  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -7.069   0.775   0.400  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -7.145  -0.624   0.501  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -8.352  -1.279   0.223  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -9.486  -0.547  -0.129  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -9.420   0.842  -0.210  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.912  -1.418   0.843  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -8.219   1.501   0.056  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.796  -0.559   1.458  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8