REMARK  Name = BDB036420
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.856   0.713  -0.387  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.414   1.983  -0.371  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.575   2.292  -0.557  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.325   2.921  -0.080  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.158   2.188   0.137  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        0.040   2.835   0.429  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        0.011   4.241   0.497  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.179   4.963   0.283  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.369   4.300  -0.011  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.458   0.726   0.025  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -4.607  -4.391   0.615  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.392  -3.224   0.300  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -4.487  -2.211   1.220  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -4.656  -2.512   2.171  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -3.965  -0.944   1.096  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -3.752  -0.260   2.095  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.687  -0.485  -0.347  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -3.079  -1.645  -1.129  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -4.041  -2.823  -1.114  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        1.325   2.080   0.633  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        1.223   1.145   1.734  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        0.529   1.330   2.451  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        1.817  -0.085   1.852  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        1.429  -0.882   2.699  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        2.909  -0.471   0.932  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        2.857  -1.728   0.321  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        3.882  -2.135  -0.541  0.00  0.00    +0.047 A 
ATOM     28  C   LIG    1        4.971  -1.295  -0.783  0.00  0.00    +0.130 A 
ATOM     29  C   LIG    1        5.027  -0.048  -0.147  0.00  0.00    +0.047 A 
ATOM     30  C   LIG    1        4.007   0.363   0.715  0.00  0.00    +0.016 A 
BRANCH  28  31
ATOM     31  O   LIG    1        6.037  -1.560  -1.594  0.00  0.00    -0.406 OA
BRANCH  31  32
ATOM     32  C   LIG    1        6.073  -2.814  -2.254  0.00  0.00    +0.575 C 
ATOM     33  F   LIG    1        7.200  -2.881  -2.996  0.00  0.00    -0.133 F 
ATOM     34  F   LIG    1        6.092  -3.831  -1.366  0.00  0.00    -0.133 F 
ATOM     35  F   LIG    1        5.016  -2.957  -3.082  0.00  0.00    -0.133 F 
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 6