REMARK  Name = BDB014907
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.113   4.756  -0.732  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.976   3.683  -0.115  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.372   2.461   0.156  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.904   2.294   0.151  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.528   0.856   0.130  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.262   0.228   0.016  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.396  -1.101   0.055  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.718  -1.332   0.181  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -2.436  -0.176   0.247  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -3.902   0.011   0.390  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.168   1.448   0.881  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -5.165   3.907   0.114  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -2.164  -2.712   0.249  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -3.292  -3.049  -0.718  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -4.443  -3.358   0.084  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -3.945  -3.890   1.315  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -2.690  -3.104   1.622  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.885   0.936  -0.107  0.00  0.00    -0.296 N 
ATOM     19  H   LIG    1        0.829   1.950  -0.123  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.235   0.532  -0.232  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1        3.222   1.525  -0.347  0.00  0.00    +0.145 A 
ATOM     22  F   LIG    1        2.847   2.816  -0.337  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        4.577   1.225  -0.474  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1        4.997  -0.107  -0.489  0.00  0.00    -0.012 A 
ATOM     25  C   LIG    1        4.026  -1.112  -0.378  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        2.664  -0.795  -0.249  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  C   LIG    1        6.401  -0.457  -0.626  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1        7.464   0.336  -0.246  0.00  0.00    +0.113 A 
ATOM     29  N   LIG    1        8.596  -0.371  -0.533  0.00  0.00    -0.284 N 
ATOM     30  H   LIG    1        9.562  -0.098  -0.384  0.00  0.00    +0.188 HD
ATOM     31  N   LIG    1        8.352  -1.574  -1.075  0.00  0.00    -0.182 NA
ATOM     32  C   LIG    1        7.019  -1.627  -1.129  0.00  0.00    +0.142 A 
ENDBRANCH  24  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4