REMARK  Name = BDB034404
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.806  -1.395   0.155  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        4.111  -0.405  -0.780  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        3.119   0.366  -1.369  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        1.762   0.125  -1.042  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        0.765   0.922  -1.680  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        1.196   1.945  -2.526  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        2.548   2.094  -2.772  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        1.472  -0.891  -0.096  0.00  0.00    +0.015 A 
ATOM      9  N   LIG    1        3.503   1.321  -2.227  0.00  0.00    -0.255 NA
ATOM     10  C   LIG    1        2.485  -1.651   0.489  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   5  11
ATOM     11  N   LIG    1       -0.591   0.723  -1.369  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -0.800  -0.270  -1.290  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -1.675   1.449  -2.025  0.00  0.00    +0.103 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.953   2.792  -1.350  0.00  0.00    +0.034 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.368   2.707   0.125  0.00  0.00    +0.083 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -3.661   2.055   0.345  0.00  0.00    -0.312 NA
ATOM     17  H   LIG    1       -4.186   1.986  -0.524  0.00  0.00    +0.122 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -3.508   0.721   0.926  0.00  0.00    +0.120 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.828   0.004   0.981  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -5.112  -1.082   0.169  0.00  0.00    +0.171 A 
ATOM     21  O   LIG    1       -4.278  -1.637  -0.755  0.00  0.00    -0.452 OA
ATOM     22  C   LIG    1       -5.100  -2.708  -1.263  0.00  0.00    +0.466 C 
ATOM     23  O   LIG    1       -6.403  -2.770  -0.654  0.00  0.00    -0.453 OA
ATOM     24  C   LIG    1       -6.326  -1.732   0.222  0.00  0.00    +0.167 A 
ATOM     25  C   LIG    1       -7.330  -1.339   1.081  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -7.082  -0.244   1.910  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.844   0.422   1.860  0.00  0.00    +0.009 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   1  28
ATOM     28  O   LIG    1        4.765  -2.194   0.734  0.00  0.00    -0.456 OA
BRANCH  28  33
ATOM     29  F   LIG    1        9.304   0.061   2.840  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        8.187  -0.472   2.329  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1        8.277  -1.601   1.521  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        7.114  -2.159   0.989  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1        5.875  -1.572   1.260  0.00  0.00    +0.129 A 
ATOM     34  C   LIG    1        5.791  -0.450   2.092  0.00  0.00    +0.049 A 
ATOM     35  C   LIG    1        6.957   0.106   2.621  0.00  0.00    +0.042 A 
ENDBRANCH  28  33
ENDBRANCH   1  28
TORSDOF 9