REMARK  Name = BDB008938
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.985  -1.333  -1.207  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1       -1.837  -0.668  -0.172  0.00  0.00    -0.016 A 
ATOM      3  C   LIG    1       -1.259  -0.246   1.150  0.00  0.00    +0.037 C 
ATOM      4  C   LIG    1       -2.179   0.683   1.949  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1       -3.625   0.206   1.898  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -4.129   0.139   0.455  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -3.129  -0.474  -0.487  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -3.641  -0.882  -1.819  0.00  0.00    +0.268 A 
ATOM      9  O   LIG    1       -4.810  -0.706  -2.146  0.00  0.00    -0.266 OA
ATOM     10  N   LIG    1       -2.728  -1.460  -2.659  0.00  0.00    -0.243 N 
ATOM     11  H   LIG    1       -3.060  -1.752  -3.572  0.00  0.00    +0.192 HD
ATOM     12  N   LIG    1       -1.420  -1.699  -2.377  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1        0.485  -1.616  -0.908  0.00  0.00    +0.092 C 
BRANCH  13  18
ATOM     14  C   LIG    1        3.195   1.027  -0.535  0.00  0.00    +0.148 A 
ATOM     15  N   LIG    1        3.140   1.700  -1.714  0.00  0.00    -0.248 NA
ATOM     16  C   LIG    1        2.232   1.286  -2.621  0.00  0.00    +0.112 A 
ATOM     17  C   LIG    1        1.357   0.232  -2.410  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        1.398  -0.445  -1.188  0.00  0.00    -0.038 A 
ATOM     19  C   LIG    1        2.351  -0.045  -0.242  0.00  0.00    +0.039 A 
BRANCH  14  20
ATOM     20  C   LIG    1        4.229   1.515   0.440  0.00  0.00    +0.357 C 
ATOM     21  O   LIG    1        5.008   2.433   0.234  0.00  0.00    -0.243 OA
BRANCH  20  23
ATOM     22  C   LIG    1        5.129   1.189   2.574  0.00  0.00    +0.280 C 
ATOM     23  O   LIG    1        4.171   0.788   1.591  0.00  0.00    -0.463 OA
ENDBRANCH  20  23
ENDBRANCH  14  20
ENDBRANCH  13  18
ENDBRANCH   1  13
TORSDOF 4