REMARK  Name = BDB008839
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.546   1.114  -2.642  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1       -1.156   1.730  -3.740  0.00  0.00    +0.144 A 
ATOM      3  F   LIG    1       -0.714   1.460  -4.979  0.00  0.00    -0.204 F 
ATOM      4  C   LIG    1       -2.219   2.613  -3.584  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -2.692   2.896  -2.304  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.100   2.296  -1.183  0.00  0.00    -0.040 A 
ATOM      7  C   LIG    1       -1.018   1.413  -1.363  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        1.224  -0.545  -2.006  0.00  0.00    +0.218 C 
ATOM      9  N   LIG    1        0.519   0.226  -2.910  0.00  0.00    -0.283 N 
ATOM     10  H   LIG    1        0.779   0.161  -3.889  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1        1.006  -0.632  -0.802  0.00  0.00    -0.275 OA
BRANCH   8  12
ATOM     12  C   LIG    1        2.304  -1.372  -2.687  0.00  0.00    +0.104 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.313  -1.923  -1.682  0.00  0.00    +0.089 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.217  -0.823  -1.152  0.00  0.00    +0.164 C 
ATOM     15  O   LIG    1        4.334   0.255  -1.734  0.00  0.00    -0.292 OA
BRANCH  14  19
ATOM     16  C   LIG    1        6.543  -1.443   2.420  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1        6.418  -0.174   1.858  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        5.657   0.009   0.697  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1        5.010  -1.075   0.088  0.00  0.00    +0.018 A 
ATOM     20  C   LIG    1        5.141  -2.348   0.649  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        5.902  -2.525   1.809  0.00  0.00    +0.046 A 
BRANCH  16  23
ATOM     22  C   LIG    1        7.914  -0.693   4.210  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        7.251  -1.761   3.545  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  14  19
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   8  12
ENDBRANCH   1   9
BRANCH   6  24
ATOM     24  C   LIG    1       -2.603   2.610   0.208  0.00  0.00    +0.092 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.058   2.200   0.423  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1       -4.396   0.764   0.683  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1       -3.322  -0.282   0.791  0.00  0.00    +0.037 C 
ATOM     28  C   LIG    1       -3.818  -1.601   1.394  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -5.160  -2.004   0.798  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -6.216  -0.926   1.048  0.00  0.00    +0.041 C 
ATOM     31  C   LIG    1       -5.701   0.468   0.819  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1       -6.722   1.543   0.741  0.00  0.00    +0.268 A 
ATOM     33  O   LIG    1       -7.919   1.310   0.875  0.00  0.00    -0.266 OA
ATOM     34  N   LIG    1       -6.246   2.806   0.517  0.00  0.00    -0.243 N 
ATOM     35  H   LIG    1       -6.928   3.555   0.461  0.00  0.00    +0.192 HD
ATOM     36  N   LIG    1       -4.942   3.151   0.349  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   6  24
TORSDOF 8