REMARK  Name = BDB038372
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.902  -1.184  -0.401  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1       -0.590  -0.734  -0.192  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        0.244  -0.513  -1.287  0.00  0.00    +0.132 A 
ATOM      4  N   LIG    1       -0.197  -0.729  -2.540  0.00  0.00    -0.198 NA
ATOM      5  C   LIG    1       -1.447  -1.176  -2.705  0.00  0.00    +0.215 A 
ATOM      6  C   LIG    1       -2.341  -1.425  -1.696  0.00  0.00    +0.077 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        1.565  -0.053  -1.110  0.00  0.00    -0.248 N 
ATOM      8  C   LIG    1        2.453   0.213  -2.152  0.00  0.00    +0.253 C 
ATOM      9  O   LIG    1        2.327   0.141  -3.360  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        3.710   0.649  -1.528  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        4.893   1.026  -2.136  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        5.950   1.402  -1.308  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.803   1.394   0.092  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        4.592   1.009   0.698  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        3.547   0.636  -0.145  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1        2.162   0.185   0.191  0.00  0.00    +0.151 C 
BRANCH  14  17
ATOM     17  C   LIG    1        4.422   0.997   2.193  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        3.419   1.823   2.598  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        5.531   1.379   2.879  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        4.092  -0.239   2.659  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  22
ATOM     21  C   LIG    1       -3.354  -0.572   1.672  0.00  0.00    +0.064 A 
ATOM     22  C   LIG    1       -2.773  -1.420   0.742  0.00  0.00    +0.080 A 
ATOM     23  N   LIG    1       -3.046  -2.693   1.212  0.00  0.00    -0.266 N 
ATOM     24  C   LIG    1       -2.646  -3.952   0.620  0.00  0.00    +0.173 C 
ATOM     25  N   LIG    1       -3.714  -2.715   2.377  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1       -3.884  -1.425   2.665  0.00  0.00    +0.146 A 
BRANCH  21  29
ATOM     27  C   LIG    1       -3.015   1.849  -0.588  0.00  0.00    +0.152 C 
ATOM     28  N   LIG    1       -3.200   1.961   0.831  0.00  0.00    -0.316 N 
ATOM     29  C   LIG    1       -3.439   0.982   1.761  0.00  0.00    +0.167 A 
ATOM     30  N   LIG    1       -3.817   1.573   2.882  0.00  0.00    -0.129 NA
ATOM     31  N   LIG    1       -3.741   2.932   2.715  0.00  0.00    -0.138 NA
ATOM     32  C   LIG    1       -3.373   3.151   1.478  0.00  0.00    +0.225 A 
ENDBRANCH  21  29
ENDBRANCH   1  22
BRANCH   5  33
ATOM     33  O   LIG    1       -1.791  -1.366  -4.001  0.00  0.00    -0.492 OA
ATOM     34  H   LIG    1       -0.952  -1.114  -4.434  0.00  0.00    +0.294 HD
ENDBRANCH   5  33
TORSDOF 5