REMARK  Name = BDB031128
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.075  -2.750  -0.755  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -0.970  -2.119  -0.174  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -2.214  -2.502  -0.516  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -2.452  -3.521  -1.427  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.370  -4.167  -2.017  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.081  -3.778  -1.675  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1        2.984   1.365   0.742  0.00  0.00    +0.161 A 
ATOM      8  C   LIG    1        1.586   1.341   0.326  0.00  0.00    +0.181 A 
ATOM      9  F   LIG    1        0.885   2.492   0.304  0.00  0.00    -0.200 F 
ATOM     10  C   LIG    1        1.000   0.192  -0.035  0.00  0.00    +0.135 A 
ATOM     11  N   LIG    1        1.739  -0.989  -0.006  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        3.086  -1.014   0.364  0.00  0.00    +0.142 A 
ATOM     13  N   LIG    1        3.595  -2.222   0.275  0.00  0.00    -0.235 NA
ATOM     14  C   LIG    1        2.561  -3.013  -0.146  0.00  0.00    +0.141 A 
ATOM     15  C   LIG    1        1.391  -2.294  -0.327  0.00  0.00    +0.092 A 
ATOM     16  C   LIG    1        3.696   0.215   0.754  0.00  0.00    +0.095 A 
BRANCH   7  17
ATOM     17  O   LIG    1        3.419   2.621   1.084  0.00  0.00    -0.486 OA
BRANCH  17  19
ATOM     18  C   LIG    1        5.701   2.995   0.360  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1        4.759   2.819   1.546  0.00  0.00    +0.167 C 
ATOM     20  C   LIG    1        4.747   4.086   2.399  0.00  0.00    +0.051 C 
ENDBRANCH  17  19
ENDBRANCH   7  17
ENDBRANCH   1  15
BRANCH   3  21
ATOM     21  N   LIG    1       -3.236  -1.808   0.120  0.00  0.00    -0.322 N 
ATOM     22  H   LIG    1       -2.770  -1.149   0.741  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.229  -1.138  -0.751  0.00  0.00    +0.119 C 
ATOM     24  C   LIG    1       -3.614  -0.024  -1.628  0.00  0.00    +0.189 C 
ATOM     25  F   LIG    1       -4.142  -0.119  -2.887  0.00  0.00    -0.243 F 
ATOM     26  C   LIG    1       -3.892   1.387  -1.119  0.00  0.00    +0.054 C 
ATOM     27  C   LIG    1       -3.851   1.434   0.401  0.00  0.00    +0.084 C 
ATOM     28  N   LIG    1       -4.848   0.561   1.024  0.00  0.00    -0.314 NA
ATOM     29  H   LIG    1       -4.476   0.173   1.891  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1       -5.323  -0.526   0.153  0.00  0.00    +0.106 C 
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 5