REMARK  Name = BDB036409
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.623   0.170   0.262  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.094  -0.693  -0.712  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.006  -0.523  -1.495  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.243  -1.887  -0.672  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.234  -1.673   0.267  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1       -0.267  -2.646   0.501  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1       -0.350  -3.832  -0.251  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.376  -4.031  -1.195  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.340  -3.047  -1.415  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.389  -0.314   0.868  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -5.545   3.609  -2.197  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.841   2.981  -1.409  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -3.481   3.137  -1.419  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -3.124   3.708  -2.172  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -2.548   2.417  -0.721  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -1.359   2.462  -1.040  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.050   1.555   0.439  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -4.528   1.753   0.768  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -5.419   1.984  -0.439  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        0.846  -2.422   1.484  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        1.829  -1.513   0.941  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        1.910  -1.448  -0.065  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.666  -0.797   1.767  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        2.568  -0.811   2.989  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.706   0.042   1.108  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        4.241  -0.275  -0.148  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        5.220   0.546  -0.734  0.00  0.00    +0.018 A 
ATOM     28  C   LIG    1        5.669   1.677  -0.036  0.00  0.00    +0.009 A 
ATOM     29  C   LIG    1        5.152   1.985   1.222  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        4.177   1.168   1.794  0.00  0.00    +0.013 A 
BRANCH  27  31
ATOM     31  C   LIG    1        5.817   0.192  -2.072  0.00  0.00    +0.372 C 
ATOM     32  F   LIG    1        6.129   1.285  -2.822  0.00  0.00    -0.204 F 
ATOM     33  F   LIG    1        4.979  -0.560  -2.843  0.00  0.00    -0.204 F 
ENDBRANCH  27  31
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 5