REMARK  Name = BDB012765
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.470  -0.099  -1.247  0.00  0.00    +0.266 C 
ATOM      2  N   LIG    1        0.509   0.685  -0.656  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        1.779   0.910  -1.325  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.441   2.031  -0.519  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        1.863   1.861   0.883  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.433   1.407   0.606  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -0.241  -0.692  -2.304  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  10
ATOM      8  N   LIG    1       -3.854  -0.812  -0.167  0.00  0.00    -0.334 N 
ATOM      9  C   LIG    1       -2.816  -1.026  -1.027  0.00  0.00    +0.120 A 
ATOM     10  C   LIG    1       -1.787  -0.204  -0.597  0.00  0.00    +0.143 A 
ATOM     11  N   LIG    1       -2.213   0.509   0.514  0.00  0.00    -0.231 NA
ATOM     12  C   LIG    1       -3.446   0.120   0.743  0.00  0.00    +0.200 A 
BRANCH   8  14
ATOM     13  C   LIG    1       -5.066  -2.957   0.007  0.00  0.00    +0.030 C 
ATOM     14  C   LIG    1       -5.166  -1.446  -0.201  0.00  0.00    +0.082 C 
ATOM     15  C   LIG    1       -5.922  -1.109  -1.486  0.00  0.00    +0.030 C 
ENDBRANCH   8  14
ENDBRANCH   1  10
BRANCH   4  16
ATOM     16  N   LIG    1        3.886   2.133  -0.624  0.00  0.00    -0.311 N 
ATOM     17  H   LIG    1        4.246   2.905  -1.174  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        4.899   1.296  -0.249  0.00  0.00    +0.216 C 
ATOM     19  O   LIG    1        6.053   1.576  -0.560  0.00  0.00    -0.276 OA
BRANCH  18  20
ATOM     20  C   LIG    1        4.604   0.083   0.555  0.00  0.00    +0.075 C 
ATOM     21  C   LIG    1        4.899   0.088   2.039  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1        5.736  -0.749   1.121  0.00  0.00    +0.013 C 
ENDBRANCH  18  20
ENDBRANCH   4  16
TORSDOF 4