REMARK  Name = BDB012983
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.418   0.120   1.762  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        0.587   0.111   0.810  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        1.983   0.175   1.227  0.00  0.00    +0.135 C 
ATOM      4  C   LIG    1        2.774   0.255  -0.076  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1        1.889  -0.521  -1.054  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        0.483  -0.123  -0.622  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.126   0.113   2.959  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -3.860   0.214   0.491  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -4.029  -0.165   1.762  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -2.785  -0.181   2.263  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -2.652  -0.412   3.243  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -1.801   0.118   1.355  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -2.488   0.413   0.193  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -5.195   1.833  -0.882  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -5.050   0.385  -0.410  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -4.989  -0.566  -1.607  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        4.133  -0.227   0.015  0.00  0.00    -0.265 N 
ATOM     18  N   LIG    1        5.144   0.592  -0.347  0.00  0.00    -0.159 NA
ATOM     19  C   LIG    1        6.247  -0.150  -0.159  0.00  0.00    +0.176 A 
ATOM     20  C   LIG    1        5.927  -1.432   0.312  0.00  0.00    +0.073 A 
ATOM     21 BR   LIG    1        7.120  -2.813   0.712  0.00  0.00    -0.046 Br
ATOM     22  C   LIG    1        4.560  -1.464   0.413  0.00  0.00    +0.125 A 
BRANCH  19  23
ATOM     23  C   LIG    1        7.538   0.405  -0.443  0.00  0.00    +0.122 C 
ATOM     24  N   LIG    1        8.595   0.833  -0.669  0.00  0.00    -0.189 NA
ENDBRANCH  19  23
ENDBRANCH   4  17
TORSDOF 4