REMARK  Name = BDB041201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.447  -0.833   2.319  0.00  0.00    +0.178 A 
ATOM      2  C   LIG    1       -1.023  -0.600   1.008  0.00  0.00    +0.165 A 
ATOM      3  N   LIG    1       -1.890  -0.523  -0.019  0.00  0.00    -0.207 NA
ATOM      4  C   LIG    1       -3.190  -0.670   0.267  0.00  0.00    +0.181 A 
ATOM      5  N   LIG    1       -3.708  -0.878   1.485  0.00  0.00    -0.231 NA
ATOM      6  C   LIG    1       -2.811  -0.959   2.489  0.00  0.00    +0.162 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.112  -0.614  -0.848  0.00  0.00    +0.124 A 
ATOM      8  N   LIG    1       -5.348   0.002  -0.829  0.00  0.00    -0.257 N 
ATOM      9  N   LIG    1       -6.034  -0.134  -1.991  0.00  0.00    -0.177 NA
ATOM     10  C   LIG    1       -5.196  -0.809  -2.777  0.00  0.00    +0.155 A 
ATOM     11  C   LIG    1       -3.994  -1.125  -2.127  0.00  0.00    +0.089 A 
ATOM     12 CL   LIG    1       -2.720  -2.000  -2.829  0.00  0.00    -0.080 Cl
BRANCH   8  13
ATOM     13  C   LIG    1       -5.961   0.777   0.252  0.00  0.00    +0.102 C 
ATOM     14  C   LIG    1       -6.553   2.100  -0.247  0.00  0.00    +0.032 C 
ATOM     15  C   LIG    1       -7.016  -0.051   0.983  0.00  0.00    +0.032 C 
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     16  C   LIG    1       -0.925  -1.312   4.586  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -0.496  -0.883   3.300  0.00  0.00    -0.490 OA
ENDBRANCH   1  17
BRANCH   2  18
ATOM     18  N   LIG    1        0.359  -0.531   0.747  0.00  0.00    -0.322 N 
ATOM     19  H   LIG    1        0.818  -0.009   1.489  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        0.714  -0.057  -0.582  0.00  0.00    +0.138 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.217   0.086  -0.666  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1        2.818   1.347  -0.715  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1        4.211   1.466  -0.780  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        5.050   0.337  -0.799  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.430  -0.923  -0.734  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        3.037  -1.048  -0.669  0.00  0.00    +0.006 A 
BRANCH  24  27
ATOM     27  C   LIG    1        6.519   0.491  -0.875  0.00  0.00    +0.071 A 
ATOM     28  N   LIG    1        7.026   1.616  -0.304  0.00  0.00    -0.255 NA
ATOM     29  C   LIG    1        8.364   1.801  -0.344  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        9.247   0.918  -0.936  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        8.727  -0.224  -1.527  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        7.350  -0.442  -1.499  0.00  0.00    +0.028 A 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 7