REMARK  Name = BDB003113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.883   0.212   0.246  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1        0.226  -0.163  -0.924  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -1.176  -0.266  -0.972  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -1.987   0.029   0.131  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -1.316   0.449   1.286  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.083   0.551   1.340  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -3.364  -0.076   0.078  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -4.048  -0.882  -0.945  0.00  0.00    +0.133 C 
ATOM      9  C   LIG    1       -5.405  -1.372  -0.410  0.00  0.00    +0.178 C 
ATOM     10  O   LIG    1       -6.298  -0.319  -0.023  0.00  0.00    -0.377 OA
ATOM     11  C   LIG    1       -5.619   0.866   0.417  0.00  0.00    +0.178 C 
ATOM     12  C   LIG    1       -4.240   0.603   1.046  0.00  0.00    +0.133 C 
ENDBRANCH   4   7
BRANCH   1  13
ATOM     13  N   LIG    1        2.264   0.398   0.342  0.00  0.00    -0.340 N 
ATOM     14  H   LIG    1        2.591   0.311   1.301  0.00  0.00    +0.146 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.145  -0.268  -0.606  0.00  0.00    +0.137 C 
BRANCH  15  20
ATOM     16  C   LIG    1        6.684  -0.792   0.648  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1        7.241   0.435   0.567  0.00  0.00    -0.263 NA
ATOM     18  C   LIG    1        6.454   1.429   0.105  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1        5.137   1.250  -0.286  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        4.579  -0.030  -0.201  0.00  0.00    -0.028 A 
ATOM     21  C   LIG    1        5.375  -1.071   0.283  0.00  0.00    +0.025 A 
ENDBRANCH  15  20
ENDBRANCH  13  15
ENDBRANCH   1  13
TORSDOF 4