REMARK  Name = BDB013166
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.862   0.287  -0.169  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        2.147   1.509  -0.231  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.801   1.460   0.040  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.353   2.739  -0.117  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.357   3.528  -0.431  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.125   0.280   0.383  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.795  -0.841   0.437  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.492   2.750  -0.504  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.149  -0.809   0.168  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.959  -0.825  -2.737  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        4.840  -0.380  -1.603  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1        4.308   0.152  -0.417  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        5.207   0.574   0.571  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        6.576   0.445   0.361  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        7.004  -0.107  -0.831  0.00  0.00    +0.213 A 
ATOM     16  F   LIG    1        8.322  -0.243  -1.035  0.00  0.00    -0.184 F 
ATOM     17  N   LIG    1        6.175  -0.524  -1.809  0.00  0.00    -0.224 NA
ENDBRANCH   1  12
BRANCH   6  18
ATOM     18  N   LIG    1       -1.228   0.336   0.646  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.609   1.223   0.958  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.926  -0.805   1.216  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.406  -0.560   1.159  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.124  -0.619  -0.031  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.658  -0.866  -1.418  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.011  -1.075  -2.099  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.040  -0.434  -1.311  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.488  -0.354  -0.059  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.196  -0.018   1.076  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.499   0.042   2.283  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.124  -0.226   2.315  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -3.484  -0.136   3.489  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4