REMARK  Name = BDB013202
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.251  -0.181   0.256  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        1.604   0.343   1.403  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.267   0.634   1.294  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.101   1.106   2.520  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.942   1.128   3.321  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.474   0.430   0.121  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.126  -0.075  -0.925  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.021   0.643   2.616  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.475  -0.354  -0.837  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        7.820  -1.579   0.065  0.00  0.00    +0.065 C 
ATOM     11  C   LIG    1        6.363  -1.231   0.101  0.00  0.00    +0.039 A 
ATOM     12  N   LIG    1        6.038   0.059   0.341  0.00  0.00    -0.251 NA
ATOM     13  C   LIG    1        4.717   0.418   0.378  0.00  0.00    +0.114 A 
ATOM     14  C   LIG    1        3.689  -0.518   0.187  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1        4.060  -1.850  -0.055  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        5.403  -2.211  -0.102  0.00  0.00    +0.023 A 
BRANCH  13  17
ATOM     17  C   LIG    1        4.422   1.881   0.667  0.00  0.00    +0.390 C 
ATOM     18  F   LIG    1        3.379   2.382  -0.062  0.00  0.00    -0.202 F 
ATOM     19  F   LIG    1        5.468   2.716   0.388  0.00  0.00    -0.202 F 
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   6  20
ATOM     20  N   LIG    1       -1.814   0.757   0.111  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.120   1.476   0.758  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.562   0.785  -1.136  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.027   0.903  -0.830  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.790  -0.184  -0.415  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.415  -1.610  -0.259  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -5.650  -2.110   0.491  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -6.755  -1.213   0.235  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.144  -0.045  -0.141  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -6.800   1.164  -0.259  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -6.051   2.272  -0.654  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -4.684   2.136  -0.929  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -3.994   3.226  -1.294  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5