REMARK  Name = BDB012976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.797   0.522  -1.502  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.087   0.139  -0.510  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -1.485  -0.111  -0.838  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.118  -0.588   0.475  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.276   0.132   1.526  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.124   0.088   0.927  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.390   0.731  -2.646  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.320   0.804  -0.508  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        4.287   1.483  -1.658  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        3.012   1.372  -2.064  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        2.739   1.784  -2.951  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        2.195   0.697  -1.193  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        3.040   0.286  -0.181  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        5.513   1.293   1.643  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        5.609   0.665   0.251  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        6.047  -0.797   0.352  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -3.532  -0.293   0.591  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1       -3.817   0.596   0.979  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -4.457  -1.037  -0.102  0.00  0.00    +0.219 C 
ATOM     20  O   LIG    1       -4.181  -2.024  -0.770  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -5.851  -0.542   0.001  0.00  0.00    +0.111 C 
ATOM     22  C   LIG    1       -6.724  -0.582  -1.218  0.00  0.00    +0.179 C 
ATOM     23  F   LIG    1       -7.591   0.479  -1.403  0.00  0.00    -0.245 F 
ATOM     24  C   LIG    1       -7.013  -1.509  -0.081  0.00  0.00    +0.053 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4