REMARK  Name = BDB014772
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.922   4.783   1.080  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.819   3.654   0.635  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.208   2.448   0.313  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.747   2.334   0.112  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.314   0.913   0.143  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.020   0.324   0.114  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.115  -1.009   0.159  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.433  -1.276   0.212  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -3.192  -0.148   0.198  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.668  -0.028   0.249  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.058   1.378  -0.252  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.037   3.822   0.582  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.109   1.073   0.043  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.002   2.077   0.004  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.476   0.711   0.035  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        2.438   1.721  -0.118  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        3.809   1.427  -0.146  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        4.270   0.109  -0.023  0.00  0.00    -0.015 A 
ATOM     19  C   LIG    1        3.308  -0.898   0.130  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        1.937  -0.602   0.155  0.00  0.00    +0.024 A 
BRANCH  18  21
ATOM     21  C   LIG    1        5.709  -0.203  -0.062  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1        6.326  -0.989   0.924  0.00  0.00    +0.131 A 
ATOM     23  F   LIG    1        5.611  -1.474   1.951  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1        7.689  -1.283   0.884  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        8.474  -0.794  -0.157  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        7.890  -0.013  -1.152  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        6.522   0.279  -1.105  0.00  0.00    +0.011 A 
ENDBRANCH  18  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  28
ATOM     28  C   LIG    1       -2.884  -2.659   0.295  0.00  0.00    +0.147 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.149  -3.245  -1.061  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -3.097  -4.739  -1.264  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -2.032  -3.863  -1.863  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 5