REMARK  Name = BDB063144
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.949  -0.386  -0.148  0.00  0.00    -0.282 N 
ATOM      2  H   LIG    1        1.174  -0.087   0.791  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.133  -0.668  -0.820  0.00  0.00    +0.220 A 
ATOM      4  N   LIG    1        3.250  -0.464  -0.101  0.00  0.00    -0.211 NA
ATOM      5  C   LIG    1        4.454  -0.719  -0.679  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1        4.539  -1.166  -1.982  0.00  0.00    +0.167 A 
ATOM      7  F   LIG    1        5.701  -1.408  -2.602  0.00  0.00    -0.202 F 
ATOM      8  C   LIG    1        3.351  -1.341  -2.644  0.00  0.00    +0.155 A 
ATOM      9  N   LIG    1        2.146  -1.103  -2.087  0.00  0.00    -0.220 NA
BRANCH   5  10
ATOM     10  C   LIG    1        5.630  -0.473   0.184  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        5.599   0.556   1.148  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.703   0.812   1.989  0.00  0.00    +0.079 A 
ATOM     13  C   LIG    1        7.843   0.018   1.857  0.00  0.00    +0.039 A 
ATOM     14  S   LIG    1        9.027   0.542   2.994  0.00  0.00    -0.075 S 
ATOM     15  C   LIG    1        7.947   1.749   3.548  0.00  0.00    +0.157 A 
ATOM     16  C   LIG    1        7.913  -1.019   0.918  0.00  0.00    +0.018 A 
ATOM     17  N   LIG    1        6.775   1.799   2.959  0.00  0.00    -0.247 NA
ATOM     18  C   LIG    1        6.798  -1.247   0.097  0.00  0.00    +0.011 A 
ENDBRANCH   5  10
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1       -3.138  -0.574  -0.983  0.00  0.00    +0.126 A 
ATOM     20  N   LIG    1       -2.722  -0.126   0.227  0.00  0.00    -0.249 NA
ATOM     21  C   LIG    1       -1.381  -0.093   0.433  0.00  0.00    +0.134 A 
ATOM     22  C   LIG    1       -0.402  -0.483  -0.486  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1       -0.879  -0.939  -1.713  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1       -2.252  -0.994  -1.968  0.00  0.00    +0.035 A 
BRANCH  19  26
ATOM     25  O   LIG    1       -4.989  -1.456  -2.128  0.00  0.00    -0.268 OA
ATOM     26  C   LIG    1       -4.615  -0.672  -1.251  0.00  0.00    +0.265 C 
ATOM     27  N   LIG    1       -5.529   0.099  -0.529  0.00  0.00    -0.294 N 
ATOM     28  C   LIG    1       -5.179   1.225   0.343  0.00  0.00    +0.123 C 
ATOM     29  C   LIG    1       -6.347   2.212   0.529  0.00  0.00    +0.100 C 
ATOM     30  N   LIG    1       -7.604   1.611   1.001  0.00  0.00    -0.313 NA
ATOM     31  H   LIG    1       -7.608   1.585   2.021  0.00  0.00    +0.122 HD
ATOM     32  C   LIG    1       -7.782   0.233   0.505  0.00  0.00    +0.100 C 
ATOM     33  C   LIG    1       -6.959  -0.122  -0.745  0.00  0.00    +0.123 C 
ENDBRANCH  19  26
ENDBRANCH   1  22
TORSDOF 4