REMARK  Name = BDB014762
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.563  -3.561   1.829  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.542  -2.759   1.008  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.048  -1.642   0.344  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.599  -1.407   0.175  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.331  -0.006  -0.246  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.111   0.699  -0.428  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.356   1.949  -0.837  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.694   2.061  -0.880  0.00  0.00    -0.258 N 
ATOM      9  C   LIG    1       -3.321   0.897  -0.568  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.775   0.605  -0.528  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.967  -0.925  -0.565  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -5.725  -3.098   0.957  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.097   0.116  -0.224  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.107  -0.857   0.049  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.411   0.642  -0.265  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.495  -0.251  -0.155  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        3.828   0.192  -0.200  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1        4.079   1.556  -0.369  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        3.020   2.454  -0.492  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        1.700   1.997  -0.443  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        4.916  -0.763  -0.082  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        6.142  -0.507   0.499  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1        6.855  -1.668   0.418  0.00  0.00    -0.274 N 
ATOM     24  C   LIG    1        8.198  -1.897   0.894  0.00  0.00    +0.172 C 
ATOM     25  N   LIG    1        6.182  -2.672  -0.171  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        5.005  -2.119  -0.477  0.00  0.00    +0.142 A 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -3.275   3.307  -1.323  0.00  0.00    +0.256 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -3.721   4.159  -0.168  0.00  0.00    +0.409 C 
ATOM     29  F   LIG    1       -4.689   3.556   0.560  0.00  0.00    -0.169 F 
ATOM     30  F   LIG    1       -2.717   4.495   0.666  0.00  0.00    -0.169 F 
ATOM     31  F   LIG    1       -4.254   5.317  -0.634  0.00  0.00    -0.169 F 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5