REMARK  Name = BDB012955
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.328  -0.732  -1.359  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.511   0.272  -0.910  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -1.754   0.547  -1.618  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.353   1.754  -0.892  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.824   1.610   0.532  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.419   1.059   0.311  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.010  -1.435  -2.313  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        3.538  -1.080   0.395  0.00  0.00    +0.092 A 
ATOM      9  N   LIG    1        3.422  -2.250  -0.245  0.00  0.00    -0.176 NA
ATOM     10  N   LIG    1        2.269  -2.141  -0.920  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        1.976  -2.906  -1.521  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        1.591  -0.968  -0.703  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        2.420  -0.245   0.133  0.00  0.00    +0.060 A 
BRANCH   8  14
ATOM     14  C   LIG    1        4.734  -0.756   1.259  0.00  0.00    +0.165 C 
ATOM     15  C   LIG    1        4.754  -1.619   2.519  0.00  0.00    +0.044 C 
BRANCH  14  17
ATOM     16  C   LIG    1        6.206  -0.048  -0.483  0.00  0.00    +0.194 C 
ATOM     17  O   LIG    1        6.004  -0.937   0.606  0.00  0.00    -0.374 OA
ENDBRANCH  14  17
ENDBRANCH   8  14
ENDBRANCH   1  12
BRANCH   4  18
ATOM     18  N   LIG    1       -3.783   1.955  -1.042  0.00  0.00    -0.311 N 
ATOM     19  H   LIG    1       -4.072   2.718  -1.644  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1       -4.865   1.215  -0.657  0.00  0.00    +0.216 C 
ATOM     21  O   LIG    1       -5.985   1.563  -1.018  0.00  0.00    -0.276 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -4.684   0.029   0.216  0.00  0.00    +0.075 C 
ATOM     23  C   LIG    1       -5.891  -0.670   0.809  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1       -4.993   0.139   1.694  0.00  0.00    +0.013 C 
ENDBRANCH  20  22
ENDBRANCH   4  18
TORSDOF 5