REMARK  Name = BDB008009
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.168  -1.686  -1.213  0.00  0.00    +0.075 A 
ATOM      2  C   LIG    1        1.001  -2.834  -0.438  0.00  0.00    +0.136 A 
ATOM      3  F   LIG    1       -0.218  -3.348  -0.223  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        2.104  -3.477   0.124  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        3.385  -2.972  -0.097  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        3.539  -1.826  -0.878  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1        2.448  -1.186  -1.463  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1       -4.116   1.286   1.355  0.00  0.00    +0.236 C 
ATOM      9  N   LIG    1       -3.126   0.784   0.514  0.00  0.00    -0.297 N 
ATOM     10  C   LIG    1       -1.737   0.802   0.971  0.00  0.00    +0.127 C 
ATOM     11  C   LIG    1       -0.921  -0.381   0.433  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1       -0.992  -0.501  -1.031  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1        0.015  -1.016  -1.837  0.00  0.00    +0.250 C 
ATOM     14  O   LIG    1        0.016  -0.918  -3.063  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1       -2.163   0.089  -1.682  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1       -3.395   0.127  -0.769  0.00  0.00    +0.127 C 
ATOM     17  O   LIG    1       -3.868   1.792   2.447  0.00  0.00    -0.274 OA
BRANCH   8  18
ATOM     18  C   LIG    1       -5.567   1.203   0.886  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.030   2.259  -0.108  0.00  0.00    +0.034 C 
ATOM     20  C   LIG    1       -6.505   2.330   1.307  0.00  0.00    +0.034 C 
BRANCH  18  22
ATOM     21  C   LIG    1       -6.386  -0.680   2.239  0.00  0.00    +0.105 C 
ATOM     22  N   LIG    1       -6.086  -0.206   0.886  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -7.195  -0.489  -0.018  0.00  0.00    +0.105 C 
ENDBRANCH  18  22
ENDBRANCH   8  18
ENDBRANCH   1  13
BRANCH   6  24
ATOM     24  O   LIG    1        4.830  -1.349  -1.129  0.00  0.00    -0.436 OA
BRANCH  24  25
ATOM     25  C   LIG    1        5.249  -0.323  -0.300  0.00  0.00    +0.246 A 
ATOM     26  C   LIG    1        6.600   0.127  -0.668  0.00  0.00    +0.051 A 
ATOM     27  C   LIG    1        7.139   1.156   0.101  0.00  0.00    +0.053 A 
ATOM     28  C   LIG    1        8.420   1.648  -0.176  0.00  0.00    +0.014 A 
ATOM     29  C   LIG    1        9.158   1.104  -1.228  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        8.620   0.074  -2.000  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        6.344   1.720   1.207  0.00  0.00    +0.273 A 
ATOM     32  O   LIG    1        6.781   2.624   1.910  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1        5.095   1.175   1.401  0.00  0.00    -0.239 N 
ATOM     34  H   LIG    1        4.534   1.551   2.160  0.00  0.00    +0.192 HD
ATOM     35  C   LIG    1        7.341  -0.418  -1.724  0.00  0.00    +0.014 A 
ATOM     36  N   LIG    1        4.538   0.166   0.669  0.00  0.00    -0.132 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 5