REMARK  Name = BDB012947
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.107  -0.158  -1.012  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1        0.327   0.296  -0.702  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1        1.105  -0.184  -1.839  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1        2.426   0.097  -2.148  0.00  0.00    +0.266 C 
ATOM      5  O   LIG    1        2.947  -0.377  -3.161  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        0.333  -1.106  -2.652  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1       -0.896  -1.440  -1.817  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        3.202   0.969  -1.249  0.00  0.00    +0.143 A 
ATOM      9  N   LIG    1        2.738   1.593  -0.099  0.00  0.00    -0.231 NA
ATOM     10  C   LIG    1        3.758   2.255   0.394  0.00  0.00    +0.197 A 
ATOM     11  N   LIG    1        4.872   2.104  -0.380  0.00  0.00    -0.350 N 
ATOM     12  H   LIG    1        5.778   2.515  -0.203  0.00  0.00    +0.166 HD
ATOM     13  C   LIG    1        4.537   1.296  -1.427  0.00  0.00    +0.117 A 
ENDBRANCH   4   8
BRANCH   1  16
ATOM     14  O   LIG    1       -0.826  -1.849   1.312  0.00  0.00    -0.276 OA
ATOM     15  C   LIG    1       -1.788  -1.102   1.197  0.00  0.00    +0.216 C 
ATOM     16  N   LIG    1       -2.006  -0.276   0.120  0.00  0.00    -0.311 N 
ATOM     17  H   LIG    1       -2.817   0.324   0.136  0.00  0.00    +0.149 HD
BRANCH  15  18
ATOM     18  C   LIG    1       -2.807  -1.064   2.285  0.00  0.00    +0.075 C 
ATOM     19  C   LIG    1       -3.485   0.217   2.714  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1       -4.279  -0.852   2.017  0.00  0.00    +0.013 C 
ENDBRANCH  15  18
ENDBRANCH   1  16
TORSDOF 3