REMARK  Name = BDB063679
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.011  -0.476  -0.345  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        0.991  -0.020   0.616  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.399   0.078  -0.058  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.893  -1.196  -0.633  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.230  -2.024  -1.127  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.522  -1.256  -1.495  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.968   0.847  -0.163  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.499   0.430  -1.355  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.212   0.012  -1.385  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        3.772  -0.374  -2.595  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.324  -0.026  -0.287  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        3.881   0.418   0.922  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.204   0.860   0.995  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.546   1.193   1.028  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        8.132   0.917   0.972  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.781   0.151   1.532  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.392   1.312  -0.134  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.858   1.986  -1.046  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.887  -0.957  -1.690  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.160  -0.325  -1.167  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1       -3.936  -0.983  -0.199  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1       -5.108  -0.395   0.282  0.00  0.00    +0.071 A 
ATOM     23  C   LIG    1       -5.542   0.855  -0.186  0.00  0.00    +0.123 A 
ATOM     24  N   LIG    1       -6.723   1.462   0.291  0.00  0.00    -0.242 NA
ATOM     25  C   LIG    1       -7.420   0.833   1.191  0.00  0.00    +0.103 A 
ATOM     26  C   LIG    1       -7.021  -0.527   1.756  0.00  0.00    +0.270 A 
ATOM     27  O   LIG    1       -7.706  -1.079   2.604  0.00  0.00    -0.266 OA
ATOM     28  C   LIG    1       -8.684   1.437   1.729  0.00  0.00    +0.071 C 
ATOM     29  C   LIG    1       -4.761   1.496  -1.152  0.00  0.00    +0.151 A 
ATOM     30  F   LIG    1       -5.130   2.694  -1.632  0.00  0.00    -0.203 F 
ATOM     31  N   LIG    1       -5.864  -1.063   1.251  0.00  0.00    -0.319 N 
ATOM     32  H   LIG    1       -5.578  -1.963   1.610  0.00  0.00    +0.169 HD
ATOM     33  C   LIG    1       -3.587   0.922  -1.641  0.00  0.00    +0.045 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4