REMARK  Name = BDB008912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.470   0.300  -0.672  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1        1.255  -0.246   0.600  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1        0.197  -1.130   0.828  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -0.670  -1.484  -0.213  0.00  0.00    -0.041 A 
ATOM      5  C   LIG    1       -0.442  -0.957  -1.493  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        0.615  -0.069  -1.720  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.618   1.262  -0.900  0.00  0.00    +0.119 C 
BRANCH   7  10
ATOM      8  C   LIG    1        5.232   2.205   0.591  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        5.052   1.545  -0.775  0.00  0.00    +0.054 C 
ATOM     10  N   LIG    1        3.926   0.601  -0.820  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1        4.187  -0.242  -1.995  0.00  0.00    +0.085 C 
ATOM     12  C   LIG    1        5.675  -0.521  -1.898  0.00  0.00    +0.017 C 
ATOM     13  C   LIG    1        6.252   0.662  -1.130  0.00  0.00    +0.020 C 
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   4  14
ATOM     14  C   LIG    1       -1.802  -2.454   0.031  0.00  0.00    +0.092 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.749  -2.011   1.141  0.00  0.00    +0.069 A 
ATOM     16  C   LIG    1       -3.737  -0.916   0.883  0.00  0.00    -0.016 A 
ATOM     17  C   LIG    1       -3.864  -0.288  -0.480  0.00  0.00    +0.037 C 
ATOM     18  C   LIG    1       -5.149   0.528  -0.652  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -5.400   1.407   0.567  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1       -5.535   0.555   1.833  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1       -4.509  -0.542   1.919  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -4.380  -1.226   3.229  0.00  0.00    +0.268 A 
ATOM     23  O   LIG    1       -5.077  -0.917   4.190  0.00  0.00    -0.266 OA
ATOM     24  N   LIG    1       -3.449  -2.227   3.293  0.00  0.00    -0.243 N 
ATOM     25  H   LIG    1       -3.344  -2.708   4.182  0.00  0.00    +0.192 HD
ATOM     26  N   LIG    1       -2.630  -2.621   2.283  0.00  0.00    -0.175 NA
ENDBRANCH  14  15
ENDBRANCH   4  14
TORSDOF 4