REMARK  Name = BDB032910
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.850   0.885   0.619  0.00  0.00    +0.250 C 
ATOM      2  N   LIG    1        1.273   0.425  -0.605  0.00  0.00    -0.261 N 
ATOM      3  H   LIG    1        0.640   0.415  -1.391  0.00  0.00    +0.157 HD
ATOM      4  O   LIG    1        1.495   1.026   1.647  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -1.630   0.369   0.474  0.00  0.00    -0.033 A 
ATOM      6  C   LIG    1       -0.575   1.294   0.617  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1       -0.824   2.668   0.740  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -2.130   3.147   0.688  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -3.185   2.256   0.515  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -2.939   0.883   0.412  0.00  0.00    +0.004 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -2.170  -1.875   1.520  0.00  0.00    +0.012 C 
ATOM     12  C   LIG    1       -1.397  -1.135   0.422  0.00  0.00    +0.014 C 
ATOM     13  C   LIG    1       -1.745  -1.700  -0.958  0.00  0.00    +0.012 C 
ENDBRANCH   5  12
ENDBRANCH   1   6
BRANCH   2  14
ATOM     14  C   LIG    1        2.548  -0.013  -0.824  0.00  0.00    +0.167 A 
ATOM     15  S   LIG    1        2.837  -0.520  -2.431  0.00  0.00    -0.030 S 
ATOM     16  C   LIG    1        4.443  -0.890  -1.995  0.00  0.00    +0.166 A 
ATOM     17  C   LIG    1        4.653  -0.608  -0.663  0.00  0.00    +0.152 A 
ATOM     18  N   LIG    1        3.553  -0.102   0.009  0.00  0.00    -0.231 NA
BRANCH  16  19
ATOM     19  N   LIG    1        5.422  -1.433  -2.946  0.00  0.00    -0.022 NA
ATOM     20  O   LIG    1        6.542  -1.651  -2.470  0.00  0.00    -0.143 OA
ENDBRANCH  16  19
ENDBRANCH   2  14
TORSDOF 4