REMARK  Name = BDB001965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.360   0.275  -0.177  0.00  0.00    +0.120 A 
ATOM      2  C   LIG    1       -4.536  -0.712  -0.730  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -3.178  -0.777  -0.397  0.00  0.00    -0.033 A 
ATOM      4  C   LIG    1       -2.302  -1.908  -0.937  0.00  0.00    +0.041 C 
ATOM      5  C   LIG    1       -0.777  -1.612  -0.992  0.00  0.00    +0.046 C 
ATOM      6  C   LIG    1       -0.352  -0.777   0.158  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -1.243   0.030   0.810  0.00  0.00    +0.171 A 
ATOM      8  O   LIG    1       -0.633   0.719   1.794  0.00  0.00    -0.354 OA
ATOM      9  N   LIG    1        0.715   0.365   1.810  0.00  0.00    -0.073 NA
ATOM     10  C   LIG    1        0.878  -0.535   0.813  0.00  0.00    +0.171 A 
ATOM     11  C   LIG    1       -2.652   0.157   0.527  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -3.472   1.137   1.082  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -4.825   1.196   0.728  0.00  0.00    +0.046 A 
ENDROOT
BRANCH  10  14
ATOM     14  C   LIG    1        2.189  -1.119   0.517  0.00  0.00    +0.266 C 
ATOM     15  N   LIG    1        3.197  -0.679   1.346  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1        2.955   0.062   1.997  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        2.367  -1.922  -0.394  0.00  0.00    -0.268 OA
BRANCH  15  18
ATOM     18  C   LIG    1        4.580  -1.030   1.148  0.00  0.00    +0.141 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.309   0.030   0.378  0.00  0.00    -0.012 A 
ATOM     20  C   LIG    1        6.099   0.976   1.022  0.00  0.00    +0.115 A 
ATOM     21  N   LIG    1        6.772   1.964   0.390  0.00  0.00    -0.263 NA
ATOM     22  C   LIG    1        6.647   2.019  -0.954  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1        5.881   1.132  -1.692  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        5.202   0.125  -1.013  0.00  0.00    +0.008 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  10  14
BRANCH   1  26
ATOM     25  C   LIG    1       -7.546   1.206  -0.067  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -6.662   0.226  -0.596  0.00  0.00    -0.495 OA
ENDBRANCH   1  26
TORSDOF 4