REMARK  Name = BDB013872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.144   0.201   0.486  0.00  0.00    -0.341 N 
ATOM      2  H   LIG    1        0.765  -0.104  -0.417  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1        3.307  -0.442  -0.485  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1        2.540   0.269   0.460  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1        3.283   0.923   1.447  0.00  0.00    +0.134 A 
ATOM      6  N   LIG    1        4.637   0.965   1.526  0.00  0.00    -0.261 NA
ATOM      7  C   LIG    1        5.319   0.284   0.589  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1        4.708  -0.432  -0.420  0.00  0.00    +0.036 A 
BRANCH   3  10
ATOM      9  O   LIG    1        3.327  -2.070  -2.256  0.00  0.00    -0.245 OA
ATOM     10  C   LIG    1        2.727  -1.238  -1.598  0.00  0.00    +0.339 C 
BRANCH  10  11
ATOM     11  O   LIG    1        1.447  -0.930  -1.890  0.00  0.00    -0.477 OA
ATOM     12  H   LIG    1        1.231  -1.542  -2.627  0.00  0.00    +0.295 HD
ENDBRANCH  10  11
ENDBRANCH   3  10
ENDBRANCH   1   4
BRANCH   1  13
ATOM     13  C   LIG    1        0.353   1.228   1.160  0.00  0.00    +0.109 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.133   1.214   0.714  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1       -1.847  -0.132   0.808  0.00  0.00    -0.040 A 
ATOM     16  C   LIG    1       -2.808  -0.515  -0.152  0.00  0.00    -0.044 A 
ATOM     17  C   LIG    1       -3.466  -1.751  -0.029  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -3.204  -2.593   1.049  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -2.281  -2.210   2.014  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -3.123   0.341  -1.355  0.00  0.00    +0.035 C 
ATOM     21  C   LIG    1       -2.693   1.792  -1.182  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -1.614  -0.989   1.898  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -1.256   1.853  -0.685  0.00  0.00    +0.010 C 
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 5