REMARK  Name = BDB030536
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.542   0.444  -0.593  0.00  0.00    +0.163 A 
ATOM      2  C   LIG    1       -0.499   0.400   0.326  0.00  0.00    +0.203 A 
ATOM      3  F   LIG    1       -0.658  -0.124   1.553  0.00  0.00    -0.198 F 
ATOM      4  C   LIG    1        0.719   0.971  -0.032  0.00  0.00    +0.159 A 
ATOM      5  N   LIG    1        0.895   1.534  -1.240  0.00  0.00    -0.218 NA
ATOM      6  C   LIG    1       -0.164   1.537  -2.061  0.00  0.00    +0.225 A 
ATOM      7  N   LIG    1       -1.376   1.029  -1.800  0.00  0.00    -0.218 NA
ENDROOT
BRANCH   4   8
ATOM      8  N   LIG    1        1.797   0.891   0.877  0.00  0.00    -0.326 N 
ATOM      9  H   LIG    1        1.449   1.107   1.810  0.00  0.00    +0.148 HD
BRANCH   8  10
ATOM     10  C   LIG    1        3.003   1.643   0.538  0.00  0.00    +0.106 C 
BRANCH  10  11
ATOM     11  C   LIG    1        3.926   0.839  -0.402  0.00  0.00    +0.008 C 
ATOM     12  C   LIG    1        5.120   1.694  -0.859  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1        6.164   1.880   0.246  0.00  0.00    +0.085 C 
ATOM     14  N   LIG    1        6.636   0.620   0.834  0.00  0.00    -0.294 NA
ATOM     15  C   LIG    1        5.512  -0.197   1.308  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1        4.444  -0.459   0.242  0.00  0.00    +0.020 C 
BRANCH  14  17
ATOM     17  C   LIG    1        7.556  -0.091  -0.078  0.00  0.00    +0.180 C 
BRANCH  17  18
ATOM     18  C   LIG    1        8.317  -1.205   0.647  0.00  0.00    +0.225 C 
ATOM     19  O   LIG    1        9.243  -1.017   1.431  0.00  0.00    -0.275 OA
ATOM     20  N   LIG    1        7.905  -2.479   0.360  0.00  0.00    -0.328 N 
ATOM     21  H   LIG    1        8.326  -3.204   0.927  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        6.975  -2.648   0.005  0.00  0.00    +0.145 HD
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   4   8
BRANCH   1  23
ATOM     23  N   LIG    1       -2.804  -0.143  -0.254  0.00  0.00    -0.305 N 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.825  -1.626  -0.405  0.00  0.00    +0.075 C 
ATOM     25  C   LIG    1       -2.266  -2.545   0.649  0.00  0.00    +0.024 C 
ATOM     26  C   LIG    1       -3.744  -2.490   0.419  0.00  0.00    +0.024 C 
ENDBRANCH  23  24
BRANCH  23  27
ATOM     27  C   LIG    1       -3.891   0.552  -0.974  0.00  0.00    +0.142 C 
BRANCH  27  31
ATOM     28  C   LIG    1       -8.519  -1.413  -1.234  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -7.500  -0.613  -0.479  0.00  0.00    -0.050 A 
ATOM     30  C   LIG    1       -6.231  -0.383  -1.025  0.00  0.00    +0.008 A 
ATOM     31  C   LIG    1       -5.246   0.334  -0.317  0.00  0.00    -0.027 A 
ATOM     32  C   LIG    1       -5.550   0.829   0.969  0.00  0.00    -0.046 A 
ATOM     33  C   LIG    1       -4.537   1.574   1.796  0.00  0.00    +0.044 C 
ATOM     34  C   LIG    1       -6.815   0.573   1.519  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1       -7.779  -0.141   0.804  0.00  0.00    +0.003 A 
ENDBRANCH  27  31
ENDBRANCH  23  27
ENDBRANCH   1  23
TORSDOF 9