REMARK  Name = BDB040476
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.111   1.466   0.550  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1       -0.994   1.429  -0.532  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -2.233   0.781  -0.430  0.00  0.00    +0.047 A 
ATOM      4 CL   LIG    1       -3.232   0.847  -1.844  0.00  0.00    -0.083 Cl
ATOM      5  C   LIG    1       -2.628   0.132   0.760  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.727   0.190   1.845  0.00  0.00    +0.047 A 
ATOM      7 CL   LIG    1       -2.081  -0.510   3.390  0.00  0.00    -0.083 Cl
ATOM      8  C   LIG    1       -0.489   0.839   1.738  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.963  -0.598   0.892  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -4.196  -1.644  -0.196  0.00  0.00    +0.227 C 
ATOM     11  O   LIG    1       -3.299  -2.349  -0.654  0.00  0.00    -0.275 OA
ATOM     12  N   LIG    1       -5.498  -1.831  -0.595  0.00  0.00    -0.256 N 
ATOM     13  H   LIG    1       -5.642  -2.536  -1.305  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1       -6.635  -1.350   0.002  0.00  0.00    +0.219 C 
ATOM     15  O   LIG    1       -7.746  -1.747  -0.338  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -6.440  -0.388   1.149  0.00  0.00    +0.097 C 
ATOM     17  C   LIG    1       -5.137   0.381   1.008  0.00  0.00    +0.027 C 
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1        1.233   2.128   0.417  0.00  0.00    +0.139 C 
BRANCH  18  20
ATOM     19  C   LIG    1        3.420   1.720  -0.608  0.00  0.00    +0.228 C 
ATOM     20  N   LIG    1        2.152   1.268  -0.288  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        2.028   0.266  -0.188  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        3.741   2.893  -0.422  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        5.704   1.352  -1.599  0.00  0.00    +0.030 C 
ATOM     24  C   LIG    1        4.362   0.682  -1.250  0.00  0.00    +0.117 C 
ATOM     25  C   LIG    1        3.742   0.136  -2.546  0.00  0.00    +0.030 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.585  -0.424  -0.256  0.00  0.00    +0.210 A 
ATOM     27  O   LIG    1        3.508  -1.232   0.029  0.00  0.00    -0.447 OA
ATOM     28  C   LIG    1        3.994  -2.135   0.924  0.00  0.00    +0.217 A 
ATOM     29  C   LIG    1        5.316  -1.847   1.142  0.00  0.00    +0.152 A 
ATOM     30  N   LIG    1        5.686  -0.762   0.389  0.00  0.00    -0.221 NA
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5