REMARK  Name = BDB021183
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.566  -0.675  -0.140  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -2.045   0.646  -0.221  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.689   0.790  -0.011  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.410   2.136  -0.070  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -1.613   2.738  -0.358  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1        0.161  -0.301   0.245  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.330  -1.507   0.338  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.621   1.810  -0.456  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1       -1.688  -1.661   0.142  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -4.630  -0.127   1.967  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -4.961  -0.790   0.660  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -3.986  -1.029  -0.318  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -4.394  -1.644  -1.510  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -5.727  -1.997  -1.691  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -6.616  -1.729  -0.668  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1       -6.265  -1.142   0.496  0.00  0.00    -0.260 NA
ENDBRANCH   1  12
BRANCH   5  17
ATOM     17  C   LIG    1       -1.858   4.137  -0.534  0.00  0.00    +0.121 C 
ATOM     18  N   LIG    1       -2.021   5.279  -0.675  0.00  0.00    -0.189 NA
ENDBRANCH   5  17
BRANCH   6  19
ATOM     19  N   LIG    1        1.511  -0.105   0.427  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        1.889  -0.949   0.857  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.338   0.218  -0.732  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.737   0.521  -0.276  0.00  0.00    +0.016 A 
ATOM     23  C   LIG    1        4.733  -0.466  -0.086  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        5.993  -0.077   0.360  0.00  0.00    +0.135 A 
ATOM     25  O   LIG    1        6.809  -1.160   0.480  0.00  0.00    -0.463 OA
ATOM     26  C   LIG    1        6.083  -2.248   0.119  0.00  0.00    +0.196 A 
ATOM     27  C   LIG    1        6.360   1.236   0.642  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.373   2.206   0.459  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        4.806  -1.880  -0.236  0.00  0.00    +0.050 A 
ATOM     30  C   LIG    1        4.100   1.851   0.015  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1        3.191   2.825  -0.145  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5