REMARK  Name = BDB013157
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.044  -0.176   0.249  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        1.391  -1.336  -0.240  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.050  -1.226  -0.520  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.335  -2.465  -0.942  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.700  -3.275  -0.950  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.679  -0.039  -0.357  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.067   1.022   0.101  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.791  -2.562  -0.504  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.280   0.928   0.390  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        6.127   0.072   1.287  0.00  0.00    +0.215 A 
ATOM     11  N   LIG    1        5.813   0.011  -0.024  0.00  0.00    -0.218 NA
ATOM     12  C   LIG    1        4.498  -0.081  -0.357  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1        4.210  -0.161  -1.829  0.00  0.00    +0.066 C 
ATOM     14  C   LIG    1        3.473  -0.100   0.602  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        3.843  -0.031   1.952  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        5.187   0.055   2.300  0.00  0.00    +0.068 A 
BRANCH  10  18
ATOM     17  C   LIG    1        8.355   0.130   0.583  0.00  0.00    +0.279 C 
ATOM     18  O   LIG    1        7.447   0.164   1.679  0.00  0.00    -0.480 OA
ENDBRANCH  10  18
ENDBRANCH   1  14
BRANCH   6  19
ATOM     19  N   LIG    1       -2.020  -0.028  -0.679  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -2.345  -0.708  -1.358  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.763   1.221  -0.740  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.229   0.921  -0.857  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.976   0.436   0.212  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.555   0.079   1.589  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -5.931  -0.075   2.236  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.909  -0.351   1.206  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -6.325   0.135   0.066  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.989   0.296  -1.133  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -6.263   0.787  -2.217  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.902   1.092  -2.073  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -4.232   1.542  -3.144  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5