REMARK  Name = BDB014939
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.707  -4.285  -1.504  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -5.106  -2.842  -1.688  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.146  -1.877  -1.404  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.719  -2.215  -1.221  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.997  -1.101  -0.554  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.668  -1.006  -0.074  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.451   0.193   0.474  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.591   0.883   0.300  0.00  0.00    -0.261 N 
ATOM      9  C   LIG    1       -2.552   0.140  -0.314  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -3.940   0.524  -0.666  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.475  -0.470  -1.718  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.245  -2.562  -2.060  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -1.673   2.247   0.758  0.00  0.00    +0.135 C 
ATOM     14  C   LIG    1       -0.627   3.173   0.162  0.00  0.00    +0.186 C 
ATOM     15  O   LIG    1       -0.518   4.292   1.062  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -1.118   3.921   2.312  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -1.439   2.443   2.243  0.00  0.00    +0.057 C 
ENDBRANCH   8  13
BRANCH   6  18
ATOM     18  N   LIG    1        0.212  -2.032  -0.136  0.00  0.00    -0.293 N 
ATOM     19  H   LIG    1       -0.150  -2.979  -0.181  0.00  0.00    +0.154 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.595  -2.033   0.178  0.00  0.00    +0.104 A 
ATOM     21  C   LIG    1        2.450  -0.932  -0.005  0.00  0.00    +0.155 A 
ATOM     22  F   LIG    1        2.001   0.146  -0.671  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        3.797  -0.962   0.406  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        4.300  -2.133   0.993  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        3.477  -3.245   1.163  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        2.146  -3.183   0.761  0.00  0.00    +0.147 A 
ATOM     27  F   LIG    1        1.367  -4.262   0.941  0.00  0.00    -0.203 F 
BRANCH  23  28
ATOM     28  C   LIG    1        4.676   0.184   0.232  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        4.283   1.504   0.304  0.00  0.00    +0.116 A 
ATOM     30  N   LIG    1        5.404   2.254   0.103  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1        5.491   3.693   0.075  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1        6.516   1.517  -0.073  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        6.070   0.260   0.003  0.00  0.00    +0.143 A 
ENDBRANCH  23  28
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4