REMARK  Name = BDB004912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.742   1.993   1.905  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -0.325   2.288   1.398  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -0.067   2.192  -0.100  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1       -0.995   1.633  -0.999  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.730   1.567  -2.370  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        0.487   2.067  -2.850  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1        1.421   2.622  -1.977  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.146   2.683  -0.613  0.00  0.00    +0.005 A 
BRANCH   5   9
ATOM      9  N   LIG    1       -1.613   1.016  -3.324  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1       -1.277   1.023  -4.275  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -2.872   0.486  -3.111  0.00  0.00    +0.251 C 
ATOM     12  O   LIG    1       -3.452   0.426  -2.033  0.00  0.00    -0.270 OA
BRANCH  11  13
ATOM     13  C   LIG    1       -3.515  -0.022  -4.322  0.00  0.00    +0.075 A 
ATOM     14  C   LIG    1       -4.791  -0.555  -4.335  0.00  0.00    +0.207 A 
ATOM     15  O   LIG    1       -5.147  -0.952  -5.582  0.00  0.00    -0.470 OA
ATOM     16  C   LIG    1       -4.097  -0.681  -6.394  0.00  0.00    +0.195 A 
ATOM     17  C   LIG    1       -3.070  -0.111  -5.676  0.00  0.00    +0.054 A 
ENDBRANCH  11  13
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   2  18
ATOM     18  N   LIG    1        0.700   1.583   2.187  0.00  0.00    -0.322 N 
ATOM     19  H   LIG    1        0.630   1.831   3.169  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        0.831   0.185   2.089  0.00  0.00    +0.130 A 
ATOM     21  C   LIG    1        1.886  -0.458   2.770  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1        1.958  -1.860   2.651  0.00  0.00    +0.088 A 
ATOM     23  C   LIG    1        3.001  -2.520   3.336  0.00  0.00    +0.063 A 
ATOM     24  C   LIG    1        3.943  -1.806   4.101  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1        3.874  -0.426   4.198  0.00  0.00    +0.002 A 
ATOM     26  N   LIG    1        1.055  -2.529   1.900  0.00  0.00    -0.235 NA
ATOM     27  C   LIG    1        0.110  -1.816   1.277  0.00  0.00    +0.223 A 
ATOM     28  C   LIG    1        2.854   0.242   3.535  0.00  0.00    +0.013 A 
ATOM     29  N   LIG    1       -0.044  -0.497   1.342  0.00  0.00    -0.220 NA
BRANCH  23  30
ATOM     30  C   LIG    1        3.192  -4.005   3.304  0.00  0.00    +0.244 C 
ATOM     31  O   LIG    1        4.116  -4.547   3.903  0.00  0.00    -0.270 OA
ATOM     32  N   LIG    1        2.309  -4.761   2.592  0.00  0.00    -0.325 N 
ATOM     33  H   LIG    1        2.438  -5.761   2.552  0.00  0.00    +0.145 HD
ATOM     34  H   LIG    1        1.551  -4.325   2.075  0.00  0.00    +0.145 HD
ENDBRANCH  23  30
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 6