REMARK  Name = BDB012318
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.080  -1.039  -1.058  0.00  0.00    +0.220 A 
ATOM      2  N   LIG    1       -2.234  -0.280  -1.272  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1       -2.380   0.044  -2.594  0.00  0.00    -0.170 NA
ATOM      4  C   LIG    1       -1.309  -0.476  -3.188  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1       -0.474  -1.157  -2.294  0.00  0.00    +0.088 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -3.207   0.148  -0.306  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1       -3.054  -0.204   1.001  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1       -3.974   0.219   1.893  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1       -5.077   0.972   1.551  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -5.232   1.308   0.208  0.00  0.00    +0.064 A 
ATOM     11  C   LIG    1       -4.286   0.913  -0.737  0.00  0.00    +0.063 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -6.378   2.124  -0.236  0.00  0.00    +0.337 C 
ATOM     13  O   LIG    1       -6.269   3.077  -0.985  0.00  0.00    -0.245 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -7.553   1.680   0.255  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -7.512   0.808   0.693  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  O   LIG    1       -0.753  -1.480   0.164  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1        0.469  -2.205   0.305  0.00  0.00    +0.266 C 
BRANCH  17  25
ATOM     18  C   LIG    1        7.178   0.438  -0.680  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1        5.804   0.209  -0.302  0.00  0.00    -0.273 N 
ATOM     20  N   LIG    1        5.192  -0.923  -0.713  0.00  0.00    -0.171 NA
ATOM     21  C   LIG    1        3.949  -0.839  -0.210  0.00  0.00    +0.093 A 
ATOM     22  C   LIG    1        3.818   0.388   0.531  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        2.697   0.849   1.205  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        1.627  -0.064   1.082  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        1.690  -1.302   0.344  0.00  0.00    -0.008 A 
ATOM     26  C   LIG    1        2.870  -1.732  -0.318  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        5.020   1.034   0.453  0.00  0.00    +0.116 A 
ENDBRANCH  17  25
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6