REMARK  Name = BDB002154
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.109  -0.431  -1.922  0.00  0.00    +0.173 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -1.311  -0.526  -3.338  0.00  0.00    -0.387 OA
ATOM      3  H   LIG    1       -2.278  -0.503  -3.498  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        0.401  -0.365  -1.664  0.00  0.00    +0.262 C 
BRANCH   4   5
ATOM      5  O   LIG    1        0.635  -0.350  -0.256  0.00  0.00    -0.489 OA
BRANCH   5   9
ATOM      6  C   LIG    1        4.512  -0.144   1.284  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1        4.345  -0.179  -0.105  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        3.061  -0.249  -0.663  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        1.935  -0.283   0.160  0.00  0.00    +0.121 A 
ATOM     10  C   LIG    1        2.103  -0.250   1.545  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        3.380  -0.180   2.107  0.00  0.00    +0.015 A 
BRANCH   6  13
ATOM     12  C   LIG    1        7.085  -0.062   1.052  0.00  0.00    +0.091 C 
ATOM     13  C   LIG    1        5.858  -0.069   1.926  0.00  0.00    +0.160 C 
ATOM     14  O   LIG    1        5.950  -0.014   3.151  0.00  0.00    -0.292 OA
ENDBRANCH   6  13
ENDBRANCH   5   9
ENDBRANCH   4   5
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1       -1.819   0.802  -1.353  0.00  0.00    +0.180 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -3.251   0.587  -1.270  0.00  0.00    -0.241 N 
ATOM     17  C   LIG    1       -4.030   0.428  -0.157  0.00  0.00    +0.089 A 
ATOM     18  C   LIG    1       -5.295   0.212  -0.694  0.00  0.00    +0.113 A 
ATOM     19  C   LIG    1       -6.385   0.004   0.162  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1       -6.161   0.018   1.545  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -4.880   0.232   2.061  0.00  0.00    +0.002 A 
ATOM     22  N   LIG    1       -5.227   0.241  -2.062  0.00  0.00    -0.129 NA
ATOM     23  C   LIG    1       -3.781   0.442   1.220  0.00  0.00    +0.029 A 
ATOM     24  N   LIG    1       -3.967   0.467  -2.407  0.00  0.00    -0.064 NA
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 7