REMARK  Name = BDB062238
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.388  -0.390  -0.005  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -1.823  -0.234  -1.303  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1       -0.481  -0.491  -1.435  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.207  -0.343  -2.763  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.290   0.041  -3.401  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.340  -0.859  -0.366  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.178  -1.021   0.821  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.313   0.107  -2.479  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.530  -0.776   0.968  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -7.856   0.707   1.320  0.00  0.00    +0.105 C 
ATOM     11  N   LIG    1       -6.407   0.555   1.207  0.00  0.00    -0.301 NA
ATOM     12  C   LIG    1       -5.897   1.246   0.015  0.00  0.00    +0.089 C 
ATOM     13  C   LIG    1       -4.359   1.215  -0.019  0.00  0.00    +0.051 C 
ATOM     14  C   LIG    1       -3.796  -0.152   0.302  0.00  0.00    -0.037 C 
ATOM     15  C   LIG    1       -4.593  -1.099   0.833  0.00  0.00    -0.007 C 
ATOM     16  C   LIG    1       -6.040  -0.868   1.169  0.00  0.00    +0.111 C 
ENDBRANCH   1  14
BRANCH   6  17
ATOM     17  N   LIG    1        1.690  -1.073  -0.555  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1        2.038  -1.548   0.284  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.570   0.084  -0.783  0.00  0.00    +0.149 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.033  -0.374  -0.829  0.00  0.00    +0.195 C 
ATOM     21  O   LIG    1        4.402  -0.907   0.477  0.00  0.00    -0.487 OA
ATOM     22  C   LIG    1        5.704  -0.515   0.636  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1        6.120   0.429  -0.291  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        7.405   0.940  -0.254  0.00  0.00    +0.045 A 
ATOM     25  C   LIG    1        8.261   0.466   0.738  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        7.842  -0.485   1.677  0.00  0.00    +0.042 A 
ATOM     27  F   LIG    1        9.513   0.939   0.801  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        6.539  -0.984   1.632  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        4.988   0.779  -1.177  0.00  0.00    +0.085 C 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4