REMARK  Name = BDB040520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.002   1.202  -1.664  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.424   1.360  -1.211  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        1.468   0.810  -1.959  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        2.797   0.905  -1.522  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        3.979   0.148  -2.539  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1        3.128   1.556  -0.313  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.057   2.077   0.444  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        2.284   2.823   1.992  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        0.730   1.984  -0.001  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1        4.566   1.674   0.188  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1        5.527   2.273  -0.838  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1        5.216   3.199  -1.587  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1        6.813   1.789  -0.829  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1        7.441   2.201  -1.506  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        7.405   1.006   0.130  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        8.614   0.796   0.122  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        6.509   0.502   1.235  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1        5.078   0.343   0.749  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1       -1.858  -1.111  -1.943  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1       -1.538  -0.032  -1.149  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -1.867  -0.053  -0.186  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1       -1.693  -1.081  -3.162  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1       -2.706  -3.455  -2.229  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1       -2.333  -2.377  -1.191  0.00  0.00    +0.101 C 
ATOM     25  C   LIG    1       -1.163  -2.914  -0.343  0.00  0.00    +0.029 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -3.507  -2.062  -0.265  0.00  0.00    +0.144 A 
ATOM     27  N   LIG    1       -3.361  -1.031   0.603  0.00  0.00    -0.236 NA
ATOM     28  C   LIG    1       -4.367  -0.762   1.467  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1       -5.508  -1.542   1.488  0.00  0.00    +0.043 A 
ATOM     30  C   LIG    1       -5.566  -2.584   0.593  0.00  0.00    +0.114 A 
ATOM     31  N   LIG    1       -4.586  -2.865  -0.282  0.00  0.00    -0.239 NA
BRANCH  28  32
ATOM     32  C   LIG    1       -4.191   0.394   2.422  0.00  0.00    +0.038 C 
ATOM     33  C   LIG    1       -3.833   1.762   1.881  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1       -5.197   1.522   2.461  0.00  0.00    +0.010 C 
ENDBRANCH  28  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 6