REMARK  Name = BDB054363
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.030  -0.230  -1.266  0.00  0.00    +0.228 A 
ATOM      2  O   LIG    1        3.220   0.122  -2.577  0.00  0.00    -0.431 OA
ATOM      3  C   LIG    1        2.043  -0.216  -3.198  0.00  0.00    +0.231 A 
ATOM      4  C   LIG    1        1.205  -0.747  -2.240  0.00  0.00    +0.092 A 
ATOM      5  N   LIG    1        1.844  -0.753  -1.021  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        7.351   0.752   2.456  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1        6.246   0.474   1.480  0.00  0.00    -0.050 A 
ATOM      8  C   LIG    1        5.035  -0.072   1.917  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        3.994  -0.300   1.011  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        4.137   0.021  -0.346  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        5.348   0.582  -0.774  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        6.390   0.811   0.130  0.00  0.00    +0.004 A 
ENDBRANCH   1  10
BRANCH   3  13
ATOM     13  C   LIG    1        1.921   0.052  -4.642  0.00  0.00    +0.452 C 
ATOM     14  F   LIG    1        1.778   1.377  -4.902  0.00  0.00    -0.163 F 
ATOM     15  F   LIG    1        0.840  -0.567  -5.187  0.00  0.00    -0.163 F 
ATOM     16  F   LIG    1        3.004  -0.374  -5.341  0.00  0.00    -0.163 F 
ENDBRANCH   3  13
BRANCH   4  17
ATOM     17  C   LIG    1       -0.185  -1.260  -2.368  0.00  0.00    +0.059 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.241  -0.154  -2.442  0.00  0.00    +0.006 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.323   0.763  -1.214  0.00  0.00    +0.001 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.576   0.064   0.128  0.00  0.00    +0.008 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.861  -0.780   0.198  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1       -4.107   0.060  -0.087  0.00  0.00    +0.169 C 
ATOM     23  O   LIG    1       -5.220  -0.509   0.594  0.00  0.00    -0.340 OA
ATOM     24  C   LIG    1       -5.074  -0.375   2.015  0.00  0.00    +0.267 C 
ATOM     25  C   LIG    1       -5.996  -1.419   2.650  0.00  0.00    +0.087 C 
ATOM     26  O   LIG    1       -3.728  -0.611   2.454  0.00  0.00    -0.340 OA
ATOM     27  C   LIG    1       -3.012  -1.458   1.563  0.00  0.00    +0.169 C 
BRANCH  24  28
ATOM     28  C   LIG    1       -5.538   1.030   2.512  0.00  0.00    +0.365 C 
ATOM     29  O   LIG    1       -5.984   1.944   1.831  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -5.402   1.212   3.847  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -5.692   2.136   3.988  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 9