REMARK  Name = BDB011603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.910  -0.084   0.410  0.00  0.00    -0.216 N 
ATOM      2  C   LIG    1        2.930  -0.051   1.393  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        3.159  -0.142   2.856  0.00  0.00    +0.068 C 
ATOM      4  C   LIG    1        1.738   0.005   0.684  0.00  0.00    +0.170 A 
ATOM      5  N   LIG    1        2.011  -0.066  -0.654  0.00  0.00    -0.124 NA
ATOM      6  N   LIG    1        3.320  -0.157  -0.804  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        8.110   0.484   0.710  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        7.589  -0.295  -0.321  0.00  0.00    +0.060 A 
ATOM      9  C   LIG    1        6.198  -0.538  -0.439  0.00  0.00    +0.084 A 
ATOM     10  C   LIG    1        5.325   0.047   0.508  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        5.860   0.833   1.542  0.00  0.00    +0.032 A 
ATOM     12  C   LIG    1        7.238   1.040   1.640  0.00  0.00    +0.048 A 
BRANCH   9  13
ATOM     13  C   LIG    1        5.745  -1.464  -1.553  0.00  0.00    +0.419 C 
ATOM     14  F   LIG    1        6.776  -2.214  -2.051  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        5.240  -0.810  -2.631  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        4.822  -2.380  -1.153  0.00  0.00    -0.166 F 
ENDBRANCH   9  13
BRANCH   7  18
ATOM     17  C   LIG    1       10.361   0.270  -0.033  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        9.429   0.772   0.917  0.00  0.00    -0.495 OA
ENDBRANCH   7  18
ENDBRANCH   1  10
BRANCH   4  19
ATOM     19  C   LIG    1        0.373   0.102   1.201  0.00  0.00    +0.270 C 
ATOM     20  N   LIG    1       -0.571   0.075   0.201  0.00  0.00    -0.274 N 
ATOM     21  H   LIG    1       -0.207   0.113  -0.753  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1        0.145   0.232   2.398  0.00  0.00    -0.268 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -1.933   0.148   0.284  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1       -2.725   0.407  -0.956  0.00  0.00    +0.289 A 
ATOM     25  O   LIG    1       -2.233   0.445  -2.074  0.00  0.00    -0.264 OA
ATOM     26  N   LIG    1       -4.062   0.539  -0.582  0.00  0.00    -0.245 N 
ATOM     27  N   LIG    1       -4.160   0.211   0.802  0.00  0.00    -0.287 N 
ATOM     28  C   LIG    1       -5.103   1.028   1.570  0.00  0.00    +0.170 C 
ATOM     29  C   LIG    1       -2.844   0.016   1.263  0.00  0.00    +0.059 A 
ATOM     30  C   LIG    1       -2.619  -0.379   2.687  0.00  0.00    +0.067 C 
BRANCH  26  31
ATOM     31  C   LIG    1       -5.134   0.181  -1.512  0.00  0.00    +0.109 C 
ATOM     32  C   LIG    1       -5.824  -1.148  -1.172  0.00  0.00    +0.027 C 
ATOM     33  C   LIG    1       -6.826  -1.562  -2.252  0.00  0.00    +0.002 C 
ATOM     34  C   LIG    1       -7.518  -0.380  -2.934  0.00  0.00    +0.000 C 
ATOM     35  C   LIG    1       -7.548   0.859  -2.049  0.00  0.00    +0.002 C 
ATOM     36  C   LIG    1       -6.138   1.334  -1.694  0.00  0.00    +0.027 C 
ENDBRANCH  26  31
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6