REMARK  Name = BDB012973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.973   1.420   1.001  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.050   0.645   0.485  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -1.435   0.934   0.840  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.255  -0.172   0.161  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.410  -0.483  -1.073  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.015  -0.370  -0.551  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.716   2.399   1.704  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.387   0.339   0.191  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        4.570   1.598   0.601  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        3.337   2.013   0.932  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        3.216   2.947   1.312  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        2.346   1.093   0.702  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        3.017  -0.025   0.246  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        5.753  -1.709   0.669  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        5.561  -0.493  -0.240  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        5.434  -0.930  -1.701  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -3.610   0.205  -0.183  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1       -3.975  -0.059  -1.094  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -4.535   0.480   0.794  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -4.272   0.563   1.985  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -5.926   0.694   0.333  0.00  0.00    +0.111 C 
ATOM     22  C   LIG    1       -6.470   0.172  -0.962  0.00  0.00    +0.179 C 
ATOM     23  F   LIG    1       -5.623  -0.535  -1.797  0.00  0.00    -0.245 F 
ATOM     24  C   LIG    1       -6.878  -0.484   0.316  0.00  0.00    +0.053 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4