REMARK  Name = BDB036245
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.884  -1.463  -0.836  0.00  0.00    +0.074 A 
ATOM      2  N   LIG    1       -3.008  -0.101  -0.668  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -2.007   0.258   0.114  0.00  0.00    +0.150 A 
ATOM      4  N   LIG    1       -1.217  -0.825   0.445  0.00  0.00    -0.271 N 
ATOM      5  C   LIG    1       -0.063  -0.717   1.250  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        0.278   0.452   1.721  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1       -0.508   1.539   1.404  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -1.626   1.524   0.646  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -1.781  -1.929  -0.150  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -2.345   2.795   0.392  0.00  0.00    -0.010 A 
ATOM     11  C   LIG    1       -2.679   3.667   1.438  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -3.361   4.851   1.168  0.00  0.00    +0.124 A 
ATOM     13  F   LIG    1       -3.670   5.676   2.177  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -3.728   5.191  -0.128  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1       -3.415   4.329  -1.175  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1       -2.731   3.137  -0.915  0.00  0.00    +0.009 A 
ENDBRANCH   8  10
BRANCH   5  17
ATOM     17  N   LIG    1        0.667  -1.855   1.513  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        0.470  -2.695   0.984  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.984  -1.839   2.114  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.030  -2.106   1.071  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        3.581  -1.102   0.280  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        3.279   0.348   0.221  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1        4.467   0.815  -0.619  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        4.962  -0.301  -1.394  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        4.526  -1.397  -0.696  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        4.958  -2.685  -0.940  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        4.420  -3.709  -0.162  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        3.470  -3.415   0.825  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1        2.959  -4.428   1.540  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   5  17
BRANCH   1  30
ATOM     30  C   LIG    1       -3.849  -2.217  -1.684  0.00  0.00    +0.135 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -3.365  -2.197  -3.062  0.00  0.00    -0.325 NA
ATOM     32  H   LIG    1       -3.227  -1.218  -3.320  0.00  0.00    +0.119 HD
ATOM     33  H   LIG    1       -4.104  -2.543  -3.670  0.00  0.00    +0.119 HD
ENDBRANCH  30  31
ENDBRANCH   1  30
TORSDOF 6