REMARK  Name = BDB013863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.204   0.698  -1.887  0.00  0.00    -0.338 N 
ATOM      2  H   LIG    1       -1.651  -0.225  -1.961  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -2.168   0.531   0.402  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -1.524   1.247  -0.623  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -1.177   2.567  -0.321  0.00  0.00    +0.134 A 
ATOM      6  N   LIG    1       -1.382   3.180   0.869  0.00  0.00    -0.261 NA
ATOM      7  C   LIG    1       -1.990   2.453   1.824  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1       -2.400   1.147   1.641  0.00  0.00    +0.036 A 
BRANCH   3  10
ATOM      9  O   LIG    1       -3.128  -1.528   1.193  0.00  0.00    -0.245 OA
ATOM     10  C   LIG    1       -2.626  -0.878   0.292  0.00  0.00    +0.339 C 
BRANCH  10  11
ATOM     11  O   LIG    1       -2.463  -1.426  -0.928  0.00  0.00    -0.477 OA
ATOM     12  H   LIG    1       -2.803  -2.339  -0.804  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   3  10
ENDBRANCH   1   4
BRANCH   1  13
ATOM     13  C   LIG    1        0.239   0.553  -2.134  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1        0.921  -0.557  -1.403  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        1.585  -0.501  -0.138  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        2.033  -1.792   0.116  0.00  0.00    +0.135 A 
ATOM     17  C   LIG    1        2.730  -2.171   1.261  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        2.981  -1.166   2.200  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        2.550   0.145   1.986  0.00  0.00    +0.001 A 
ATOM     20  O   LIG    1        1.691  -2.622  -0.906  0.00  0.00    -0.463 OA
ATOM     21  C   LIG    1        1.851   0.495   0.822  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        1.022  -1.872  -1.817  0.00  0.00    +0.201 A 
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 5