REMARK  Name = BDB013164
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.500  -0.265  -0.255  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1        1.330  -0.903   0.671  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        2.680  -0.669   0.754  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1        3.192  -1.411   1.714  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        2.171  -2.165   2.252  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        3.231   0.261  -0.167  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        2.373   0.799  -1.062  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        1.067  -1.863   1.605  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1        1.013   0.559  -1.129  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        4.664   0.617  -0.228  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        5.156   1.893   0.075  0.00  0.00    +0.067 A 
ATOM     12 CL   LIG    1        4.145   3.195   0.585  0.00  0.00    -0.081 Cl
ATOM     13  C   LIG    1        6.524   2.110  -0.024  0.00  0.00    +0.131 A 
ATOM     14  N   LIG    1        7.420   1.165  -0.394  0.00  0.00    -0.262 NA
ATOM     15  C   LIG    1        6.928  -0.062  -0.660  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        5.580  -0.380  -0.593  0.00  0.00    +0.030 A 
ENDBRANCH   6  10
BRANCH   1  17
ATOM     17  N   LIG    1       -0.853  -0.517  -0.278  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.217  -0.163  -1.161  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.689   0.006   0.800  0.00  0.00    +0.143 C 
BRANCH  19  22
ATOM     20  F   LIG    1       -2.640  -2.346   2.030  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -3.506  -1.671   1.260  0.00  0.00    +0.129 A 
ATOM     22  C   LIG    1       -3.092  -0.491   0.627  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.028   0.157  -0.172  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -3.932   1.432  -0.924  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -5.207   1.325  -1.762  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.127   0.425  -1.104  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.319  -0.340  -0.305  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -5.737  -1.490   0.334  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -4.809  -2.168   1.124  0.00  0.00    +0.042 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4