REMARK  Name = BDB003118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.581   2.596   1.659  0.00  0.00    +0.114 C 
ATOM      2  C   LIG    1       -2.199   2.495   0.465  0.00  0.00    +0.034 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -2.369   1.310  -0.310  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -1.732   1.011  -1.549  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -2.159  -0.262  -1.924  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -1.714  -0.898  -3.089  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -0.799  -0.211  -3.892  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -0.352   1.061  -3.543  0.00  0.00    +0.001 A 
ATOM      9  N   LIG    1       -3.040  -0.698  -0.960  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1       -3.512  -1.592  -0.982  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -0.810   1.684  -2.377  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -3.179   0.244   0.033  0.00  0.00    +0.021 A 
ATOM     13  C   LIG    1       -4.067   0.004   1.200  0.00  0.00    +0.064 C 
ENDBRANCH   2   3
BRANCH   1  16
ATOM     14  N   LIG    1       -0.047   0.732   1.568  0.00  0.00    -0.304 N 
ATOM     15  H   LIG    1        0.062   0.966   0.590  0.00  0.00    +0.150 HD
ATOM     16  C   LIG    1       -0.930   1.443   2.342  0.00  0.00    +0.255 C 
ATOM     17  O   LIG    1       -1.154   1.198   3.522  0.00  0.00    -0.269 OA
BRANCH  14  18
ATOM     18  C   LIG    1        0.625  -0.466   2.040  0.00  0.00    +0.100 C 
ATOM     19  C   LIG    1       -0.334  -1.657   2.116  0.00  0.00    +0.033 C 
BRANCH  18  24
ATOM     20  C   LIG    1        5.249  -1.539  -1.367  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        4.059  -1.243  -0.503  0.00  0.00    -0.050 A 
ATOM     22  C   LIG    1        2.764  -1.359  -1.016  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        1.655  -1.115  -0.203  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        1.817  -0.760   1.146  0.00  0.00    -0.027 A 
ATOM     25  C   LIG    1        3.119  -0.652   1.657  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        4.227  -0.900   0.842  0.00  0.00    +0.004 A 
ENDBRANCH  18  24
ENDBRANCH  14  18
ENDBRANCH   1  16
BRANCH   1  27
ATOM     27  C   LIG    1       -1.569   3.839   2.350  0.00  0.00    +0.104 C 
ATOM     28  N   LIG    1       -1.570   4.882   2.860  0.00  0.00    -0.191 NA
ENDBRANCH   1  27
TORSDOF 5