REMARK  Name = BDB042675
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.780   1.284   0.857  0.00  0.00    +0.073 C 
ATOM      2  C   LIG    1        2.603   1.052  -0.642  0.00  0.00    +0.037 C 
ATOM      3  C   LIG    1        1.149   1.300  -1.060  0.00  0.00    +0.086 C 
ATOM      4  N   LIG    1        0.463   2.323  -0.250  0.00  0.00    -0.302 NA
ATOM      5  C   LIG    1        1.399   3.344   0.225  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1        2.400   2.733   1.211  0.00  0.00    +0.037 C 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        4.170   1.044   1.266  0.00  0.00    -0.341 N 
ATOM      8  H   LIG    1        4.824   1.711   0.863  0.00  0.00    +0.146 HD
BRANCH   7  12
ATOM      9  C   LIG    1        5.942  -2.764   1.715  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1        6.721  -1.611   1.615  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1        6.106  -0.364   1.454  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        4.711  -0.237   1.363  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        3.947  -1.400   1.506  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        4.552  -2.654   1.666  0.00  0.00    +0.020 A 
BRANCH   9  16
ATOM     15  N   LIG    1        7.066  -5.083   2.002  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1        6.562  -4.045   1.876  0.00  0.00    +0.099 C 
ENDBRANCH   9  16
ENDBRANCH   7  12
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1       -0.672   2.928  -0.964  0.00  0.00    +0.085 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.806   1.942  -1.279  0.00  0.00    +0.021 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.412   1.318  -0.016  0.00  0.00    +0.054 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.533   0.361  -0.341  0.00  0.00    +0.020 A 
ATOM     21  N   LIG    1       -4.723   0.907  -0.762  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1       -4.819   1.913  -0.845  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1       -5.855   0.193  -1.094  0.00  0.00    +0.259 A 
ATOM     24  O   LIG    1       -6.870   0.769  -1.464  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1       -5.757  -1.282  -0.974  0.00  0.00    +0.082 A 
ATOM     26  C   LIG    1       -4.545  -1.841  -0.537  0.00  0.00    -0.008 A 
ATOM     27  C   LIG    1       -4.432  -3.232  -0.413  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1       -5.516  -4.057  -0.724  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -6.715  -3.495  -1.158  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -6.833  -2.111  -1.282  0.00  0.00    +0.136 A 
ATOM     31  F   LIG    1       -8.005  -1.617  -1.702  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -3.412  -0.970  -0.213  0.00  0.00    +0.030 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 7