REMARK  Name = BDB017818
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.562  -1.181  -2.231  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -2.039  -0.885  -1.163  0.00  0.00    +0.218 C 
ATOM      3  N   LIG    1       -0.753  -1.249  -0.830  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1       -0.451  -1.164   0.132  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.019  -2.117  -1.689  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1        1.474  -2.145  -1.315  0.00  0.00    -0.023 A 
ATOM      7  C   LIG    1        1.968  -3.452  -1.356  0.00  0.00    -0.042 A 
ATOM      8  C   LIG    1        3.295  -3.721  -1.076  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        4.132  -2.651  -0.742  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        3.656  -1.322  -0.709  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        0.905  -4.415  -1.781  0.00  0.00    +0.037 C 
ATOM     12  C   LIG    1        2.307  -1.075  -1.007  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -0.365  -3.599  -1.510  0.00  0.00    +0.032 C 
BRANCH  10  14
ATOM     14  C   LIG    1        4.581  -0.247  -0.371  0.00  0.00    +0.089 A 
ATOM     15  N   LIG    1        5.867  -0.485   0.112  0.00  0.00    -0.232 NA
ATOM     16  C   LIG    1        6.373   0.707   0.281  0.00  0.00    +0.110 A 
ATOM     17  C   LIG    1        7.648   1.281   0.749  0.00  0.00    +0.076 C 
ATOM     18  C   LIG    1        7.253   2.763   0.978  0.00  0.00    +0.029 C 
ATOM     19  C   LIG    1        6.012   3.014   0.100  0.00  0.00    +0.123 C 
ATOM     20  N   LIG    1        5.490   1.677  -0.070  0.00  0.00    -0.334 N 
ATOM     21  C   LIG    1        4.340   1.118  -0.484  0.00  0.00    +0.115 A 
ENDBRANCH  10  14
ENDBRANCH   3   5
BRANCH   2  22
ATOM     22  C   LIG    1       -2.736  -0.063  -0.088  0.00  0.00    +0.092 C 
ATOM     23  C   LIG    1       -4.228   0.068  -0.404  0.00  0.00    +0.120 C 
ATOM     24  N   LIG    1       -4.902   0.925   0.580  0.00  0.00    -0.301 N 
ATOM     25  C   LIG    1       -6.110   0.501   1.138  0.00  0.00    +0.224 C 
ATOM     26  O   LIG    1       -6.618  -0.578   0.842  0.00  0.00    -0.275 OA
ATOM     27  C   LIG    1       -4.267   2.206   0.888  0.00  0.00    +0.108 C 
ATOM     28  C   LIG    1       -3.031   2.477   0.038  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -2.050   1.306   0.086  0.00  0.00    +0.016 C 
BRANCH  25  30
ATOM     30  C   LIG    1       -6.751   1.442   2.122  0.00  0.00    +0.209 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -7.998   0.844   2.711  0.00  0.00    +0.398 C 
ATOM     32  F   LIG    1       -8.956   0.615   1.791  0.00  0.00    -0.170 F 
ATOM     33  F   LIG    1       -8.524   1.728   3.602  0.00  0.00    -0.170 F 
ATOM     34  F   LIG    1       -7.757  -0.292   3.396  0.00  0.00    -0.170 F 
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH   2  22
TORSDOF 5