REMARK  Name = BDB012764
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.751   1.142  -1.294  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.210   0.276  -0.806  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1       -1.556   0.300  -1.366  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -2.256  -0.899  -0.719  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -1.611  -0.947   0.666  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.161  -0.571   0.376  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.473   1.929  -2.200  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.101   0.883   0.190  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        4.159   2.055  -0.461  0.00  0.00    -0.175 NA
ATOM     10  N   LIG    1        2.945   2.166  -1.026  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        2.739   2.976  -1.604  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        2.086   1.133  -0.743  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        2.832   0.269   0.034  0.00  0.00    +0.060 A 
BRANCH   8  15
ATOM     14  C   LIG    1        5.008   0.232   2.442  0.00  0.00    +0.048 C 
ATOM     15  C   LIG    1        5.314   0.388   0.951  0.00  0.00    +0.104 C 
ATOM     16  C   LIG    1        5.833  -0.931   0.372  0.00  0.00    +0.048 C 
BRANCH  15  17
ATOM     17  O   LIG    1        6.394   1.334   0.850  0.00  0.00    -0.383 OA
ATOM     18  H   LIG    1        6.028   2.054   0.292  0.00  0.00    +0.211 HD
ENDBRANCH  15  17
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  19
ATOM     19  N   LIG    1       -3.705  -0.877  -0.722  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1       -4.194  -1.620  -1.205  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1       -4.462   0.112  -0.147  0.00  0.00    +0.216 C 
ATOM     22  O   LIG    1       -4.026   1.093   0.433  0.00  0.00    -0.276 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -5.926  -0.077  -0.310  0.00  0.00    +0.075 C 
ATOM     24  C   LIG    1       -6.605  -1.363   0.103  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1       -6.810  -0.118   0.914  0.00  0.00    +0.013 C 
ENDBRANCH  21  23
ENDBRANCH   4  19
TORSDOF 5