REMARK  Name = BDB013114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.691   0.455   0.000  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1        0.930   1.176  -0.961  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.434   1.212  -0.792  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.907   1.979  -1.817  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.089   2.363  -2.584  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.099   0.558   0.252  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.397  -0.115   1.124  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.250   1.858  -2.042  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.976  -0.150   0.976  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.947   0.021  -0.236  0.00  0.00    +0.124 A 
ATOM     11  N   LIG    1        5.184  -0.032  -1.348  0.00  0.00    -0.240 NA
ATOM     12  C   LIG    1        3.839   0.117  -1.236  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1        3.163   0.309  -0.040  0.00  0.00    +0.041 A 
ATOM     14  C   LIG    1        3.977   0.386   1.085  0.00  0.00    +0.136 A 
ATOM     15  F   LIG    1        3.443   0.615   2.296  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1        5.359   0.246   1.002  0.00  0.00    +0.082 A 
BRANCH  10  18
ATOM     17  C   LIG    1        7.886  -1.203   0.469  0.00  0.00    +0.130 C 
ATOM     18  N   LIG    1        7.346  -0.108  -0.337  0.00  0.00    -0.321 N 
ATOM     19  C   LIG    1        7.822  -0.094  -1.722  0.00  0.00    +0.130 C 
ENDBRANCH  10  18
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1       -2.471   0.638   0.330  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -3.007   0.935  -0.476  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.225  -0.128   1.302  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.694   0.133   1.100  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1       -5.474  -0.642   0.247  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -5.105  -1.795  -0.610  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -6.504  -2.278  -0.993  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -7.434  -1.180  -0.857  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.811  -0.338   0.028  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -7.430   0.736   0.632  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -6.671   1.525   1.495  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -5.316   1.229   1.724  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5