REMARK  Name = BDB048325
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.489  -3.620   2.368  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.018  -3.312   2.258  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.628  -2.379   1.306  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.174  -2.177   1.166  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.880  -0.940   0.394  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.649  -0.292   0.117  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.853   0.792  -0.638  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.184   0.856  -0.834  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -2.841  -0.179  -0.239  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.295  -0.478  -0.206  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.485  -1.962   0.174  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -3.212  -3.871   3.003  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -2.701   1.958  -1.623  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -3.452   1.515  -2.874  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -4.795   2.014  -2.752  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -4.723   3.174  -1.918  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -3.674   2.857  -0.877  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.533  -0.765   0.578  0.00  0.00    -0.296 N 
ATOM     19  H   LIG    1        0.523  -1.594   1.167  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.859  -0.297   0.429  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1        2.896  -1.016   1.047  0.00  0.00    +0.145 A 
ATOM     22  F   LIG    1        2.591  -2.114   1.759  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        4.234  -0.634   0.952  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1        4.583   0.502   0.220  0.00  0.00    -0.012 A 
ATOM     25  C   LIG    1        3.562   1.232  -0.404  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        2.220   0.836  -0.301  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.967   0.932   0.104  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        7.071   0.109   0.195  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1        8.164   0.907   0.018  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1        9.548   0.500   0.025  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        7.856   2.200  -0.187  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        6.521   2.213  -0.135  0.00  0.00    +0.142 A 
ENDBRANCH  24  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4