REMARK  Name = BDB041202
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.492  -1.616   1.342  0.00  0.00    -0.326 N 
ATOM      2  H   LIG    1       -0.396  -2.471   1.887  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -2.713  -1.563   2.294  0.00  0.00    +0.178 A 
ATOM      4  C   LIG    1       -1.872  -1.345   1.200  0.00  0.00    +0.165 A 
ATOM      5  N   LIG    1       -2.323  -0.813   0.048  0.00  0.00    -0.207 NA
ATOM      6  C   LIG    1       -3.626  -0.520  -0.020  0.00  0.00    +0.181 A 
ATOM      7  N   LIG    1       -4.523  -0.694   0.960  0.00  0.00    -0.231 NA
ATOM      8  C   LIG    1       -4.036  -1.218   2.104  0.00  0.00    +0.162 A 
BRANCH   6   9
ATOM      9  C   LIG    1       -4.108   0.008  -1.279  0.00  0.00    +0.124 A 
ATOM     10  N   LIG    1       -5.040   1.017  -1.414  0.00  0.00    -0.257 N 
ATOM     11  N   LIG    1       -5.353   1.290  -2.706  0.00  0.00    -0.177 NA
ATOM     12  C   LIG    1       -4.567   0.470  -3.402  0.00  0.00    +0.155 A 
ATOM     13  C   LIG    1       -3.773  -0.338  -2.575  0.00  0.00    +0.089 A 
ATOM     14 CL   LIG    1       -2.678  -1.510  -3.133  0.00  0.00    -0.080 Cl
BRANCH  10  15
ATOM     15  C   LIG    1       -5.679   1.812  -0.362  0.00  0.00    +0.102 C 
ATOM     16  C   LIG    1       -7.106   1.329  -0.109  0.00  0.00    +0.032 C 
ATOM     17  C   LIG    1       -5.655   3.312  -0.673  0.00  0.00    +0.032 C 
ENDBRANCH  10  15
ENDBRANCH   6   9
BRANCH   3  19
ATOM     18  C   LIG    1       -3.015  -2.228   4.556  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -2.167  -2.116   3.419  0.00  0.00    -0.490 OA
ENDBRANCH   3  19
ENDBRANCH   1   4
BRANCH   1  20
ATOM     20  C   LIG    1        0.256  -1.648   0.088  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.743  -1.933   0.372  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1        2.480  -2.205  -0.953  0.00  0.00    +0.024 C 
ATOM     23  C   LIG    1        3.908  -1.671  -0.930  0.00  0.00    +0.108 C 
ATOM     24  N   LIG    1        3.881  -0.211  -0.759  0.00  0.00    -0.301 N 
ATOM     25  C   LIG    1        2.947   0.309   0.255  0.00  0.00    +0.108 C 
ATOM     26  C   LIG    1        2.418  -0.797   1.164  0.00  0.00    +0.024 C 
BRANCH  24  27
ATOM     27  C   LIG    1        5.087   0.408  -0.892  0.00  0.00    +0.198 A 
ATOM     28  N   LIG    1        5.212   1.744  -1.200  0.00  0.00    -0.321 N 
ATOM     29  C   LIG    1        4.151   2.666  -1.522  0.00  0.00    +0.151 C 
ATOM     30  C   LIG    1        6.547   2.046  -1.251  0.00  0.00    +0.120 A 
ATOM     31  C   LIG    1        7.208   0.853  -1.018  0.00  0.00    +0.163 A 
ATOM     32  N   LIG    1        6.274  -0.153  -0.822  0.00  0.00    -0.210 NA
BRANCH  31  33
ATOM     33  C   LIG    1        8.684   0.592  -0.980  0.00  0.00    +0.436 C 
ATOM     34  F   LIG    1        9.076  -0.322  -1.908  0.00  0.00    -0.164 F 
ATOM     35  F   LIG    1        9.098   0.132   0.231  0.00  0.00    -0.164 F 
ATOM     36  F   LIG    1        9.405   1.721  -1.227  0.00  0.00    -0.164 F 
ENDBRANCH  31  33
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 8