REMARK  Name = BDB014853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.304   4.633  -1.305  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.861   4.217  -1.194  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.597   2.936  -0.725  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.171   2.603  -0.545  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.983   1.137  -0.389  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.802   0.349  -0.329  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.114  -0.942  -0.167  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.458  -0.986  -0.136  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -3.023   0.244  -0.251  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.458   0.609  -0.266  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.586   2.121   0.016  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.965   4.997  -1.521  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.433   0.899  -0.430  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.484   1.896  -0.599  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.725   0.327  -0.375  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        1.970  -1.029  -0.147  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        3.276  -1.537  -0.102  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        4.380  -0.698  -0.282  0.00  0.00    -0.015 A 
ATOM     19  C   LIG    1        4.146   0.661  -0.512  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        2.838   1.163  -0.556  0.00  0.00    +0.024 A 
BRANCH  18  21
ATOM     21  C   LIG    1        5.728  -1.239  -0.239  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        6.859  -0.542   0.135  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1        7.899  -1.421   0.050  0.00  0.00    -0.274 N 
ATOM     24  C   LIG    1        9.286  -1.157   0.347  0.00  0.00    +0.172 C 
ATOM     25  N   LIG    1        7.532  -2.651  -0.351  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        6.212  -2.538  -0.524  0.00  0.00    +0.142 A 
ENDBRANCH  18  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -3.121  -2.276   0.005  0.00  0.00    +0.153 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.990  -2.809   1.394  0.00  0.00    +0.085 C 
ATOM     29  C   LIG    1       -3.986  -3.793   1.871  0.00  0.00    +0.254 C 
ATOM     30  F   LIG    1       -5.037  -4.178   1.072  0.00  0.00    -0.205 F 
ATOM     31  F   LIG    1       -3.596  -4.889   2.600  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -3.979  -2.443   2.486  0.00  0.00    +0.087 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5