REMARK  Name = BDB011275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.136  -1.013  -0.218  0.00  0.00    +0.057 A 
ATOM      2  N   LIG    1        1.362   0.122   0.069  0.00  0.00    -0.338 N 
ATOM      3  C   LIG    1        0.058  -0.277   0.075  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1       -1.279   0.330   0.305  0.00  0.00    +0.154 C 
ATOM      5  N   LIG    1       -2.110  -0.903   0.222  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -1.375  -2.064  -0.054  0.00  0.00    +0.249 C 
ATOM      7  O   LIG    1       -1.772  -3.209  -0.178  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -0.011  -1.625  -0.138  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1        1.278  -2.105  -0.348  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -1.708   1.353  -0.728  0.00  0.00    -0.021 A 
ATOM     11  C   LIG    1       -2.197   2.603  -0.312  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -2.614   3.554  -1.248  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -2.551   3.262  -2.608  0.00  0.00    +0.041 A 
ATOM     14 CL   LIG    1       -3.064   4.434  -3.758  0.00  0.00    -0.084 Cl
ATOM     15  C   LIG    1       -2.080   2.026  -3.042  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -1.663   1.076  -2.107  0.00  0.00    +0.007 A 
ENDBRANCH   4  10
BRANCH   1  18
ATOM     17  C   LIG    1        4.478  -0.935   0.717  0.00  0.00    +0.228 A 
ATOM     18  C   LIG    1        3.593  -1.022  -0.345  0.00  0.00    +0.078 A 
ATOM     19  C   LIG    1        4.201  -1.151  -1.575  0.00  0.00    +0.129 A 
ATOM     20  N   LIG    1        5.538  -1.167  -1.759  0.00  0.00    -0.222 NA
ATOM     21  C   LIG    1        6.290  -1.047  -0.663  0.00  0.00    +0.216 A 
ATOM     22  N   LIG    1        5.820  -0.945   0.581  0.00  0.00    -0.179 NA
BRANCH  21  23
ATOM     23  N   LIG    1        7.658  -1.073  -0.829  0.00  0.00    -0.327 N 
ATOM     24  H   LIG    1        7.886  -1.544  -1.693  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        8.103  -1.410   0.013  0.00  0.00    +0.145 HD
ENDBRANCH  21  23
BRANCH  17  27
ATOM     26  C   LIG    1        4.913  -0.798   3.022  0.00  0.00    +0.279 C 
ATOM     27  O   LIG    1        3.937  -0.807   1.986  0.00  0.00    -0.479 OA
ENDBRANCH  17  27
ENDBRANCH   1  18
BRANCH   5  28
ATOM     28  C   LIG    1       -3.541  -0.886   0.522  0.00  0.00    +0.082 C 
ATOM     29  C   LIG    1       -3.882  -1.674   1.790  0.00  0.00    +0.050 C 
ATOM     30  C   LIG    1       -5.382  -1.624   2.042  0.00  0.00    +0.161 C 
ATOM     31  O   LIG    1       -6.108  -2.105   0.912  0.00  0.00    -0.380 OA
ATOM     32  C   LIG    1       -5.869  -1.337  -0.266  0.00  0.00    +0.161 C 
ATOM     33  C   LIG    1       -4.396  -1.372  -0.651  0.00  0.00    +0.050 C 
ENDBRANCH   5  28
BRANCH   2  34
ATOM     34  C   LIG    1        1.894   1.465   0.308  0.00  0.00    +0.081 C 
ATOM     35  C   LIG    1        1.796   2.351  -0.932  0.00  0.00    +0.030 C 
ATOM     36  C   LIG    1        1.306   2.144   1.545  0.00  0.00    +0.030 C 
ENDBRANCH   2  34
TORSDOF 6