REMARK  Name = BDB001514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.487   0.751   3.061  0.00  0.00    -0.297 N 
ATOM      2  H   LIG    1       -0.255   1.432   3.777  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.874   0.801   2.767  0.00  0.00    +0.164 A 
ATOM      4  C   LIG    1       -2.751   0.999   3.819  0.00  0.00    +0.181 A 
ATOM      5  F   LIG    1       -2.322   1.186   5.075  0.00  0.00    -0.200 F 
ATOM      6  C   LIG    1       -4.087   1.014   3.518  0.00  0.00    +0.156 A 
ATOM      7  N   LIG    1       -4.561   0.847   2.269  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1       -3.660   0.656   1.294  0.00  0.00    +0.221 A 
ATOM      9  N   LIG    1       -2.333   0.623   1.510  0.00  0.00    -0.196 NA
BRANCH   8  10
ATOM     10  N   LIG    1       -4.035   0.482  -0.035  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -3.201   0.388  -0.597  0.00  0.00    +0.155 HD
BRANCH  10  12
ATOM     12  C   LIG    1       -5.260   0.448  -0.707  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1       -5.253   0.281  -2.104  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -6.441   0.236  -2.843  0.00  0.00    +0.047 A 
ATOM     15  C   LIG    1       -7.656   0.358  -2.184  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1       -7.695   0.522  -0.807  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -6.503   0.566  -0.076  0.00  0.00    +0.027 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -8.840   0.321  -2.857  0.00  0.00    -0.507 OA
ATOM     19  H   LIG    1       -8.655   0.205  -3.803  0.00  0.00    +0.292 HD
ENDBRANCH  15  18
ENDBRANCH  10  12
ENDBRANCH   8  10
ENDBRANCH   1   3
BRANCH   1  23
ATOM     20  C   LIG    1        2.891  -0.213   0.674  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        3.012   0.576   1.814  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        1.883   0.888   2.585  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        0.604   0.441   2.226  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        0.498  -0.373   1.097  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        1.624  -0.690   0.324  0.00  0.00    +0.025 A 
BRANCH  20  28
ATOM     26  O   LIG    1        5.770   0.471   0.868  0.00  0.00    -0.270 OA
ATOM     27  C   LIG    1        5.301  -0.231  -0.023  0.00  0.00    +0.251 C 
ATOM     28  N   LIG    1        3.969  -0.578  -0.160  0.00  0.00    -0.281 N 
ATOM     29  H   LIG    1        3.725  -1.163  -0.951  0.00  0.00    +0.155 HD
BRANCH  27  30
ATOM     30  C   LIG    1        6.240  -0.764  -1.059  0.00  0.00    +0.072 A 
ATOM     31  C   LIG    1        5.831  -1.567  -2.127  0.00  0.00    +0.135 A 
ATOM     32  F   LIG    1        4.542  -1.909  -2.281  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1        6.745  -2.041  -3.068  0.00  0.00    +0.039 A 
ATOM     34  C   LIG    1        8.095  -1.713  -2.952  0.00  0.00    +0.003 A 
ATOM     35  C   LIG    1        8.524  -0.913  -1.895  0.00  0.00    +0.001 A 
ATOM     36  C   LIG    1        7.604  -0.441  -0.954  0.00  0.00    +0.016 A 
ENDBRANCH  27  30
ENDBRANCH  20  28
ENDBRANCH   1  23
TORSDOF 7