REMARK  Name = BDB014166
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.668  -0.571  -0.009  0.00  0.00    +0.008 A 
ATOM      2  C   LIG    1        2.324  -0.411  -0.368  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        1.433  -1.459  -0.160  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        1.826  -2.637   0.381  0.00  0.00    -0.253 NA
ATOM      5  C   LIG    1        3.125  -2.778   0.707  0.00  0.00    +0.112 A 
ATOM      6  C   LIG    1        4.076  -1.789   0.530  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        5.675   0.909   0.519  0.00  0.00    +0.166 A 
ATOM      8  C   LIG    1        4.588   0.528  -0.234  0.00  0.00    +0.124 A 
ATOM      9  N   LIG    1        4.441   1.411  -1.275  0.00  0.00    -0.129 NA
ATOM     10  N   LIG    1        5.413   2.309  -1.203  0.00  0.00    -0.067 NA
ATOM     11  N   LIG    1        6.155   2.009  -0.130  0.00  0.00    -0.253 N 
ATOM     12  H   LIG    1        6.948   2.601   0.100  0.00  0.00    +0.191 HD
BRANCH   7  14
ATOM     13  F   LIG    1        5.416   0.184   2.728  0.00  0.00    -0.164 F 
ATOM     14  C   LIG    1        6.309   0.431   1.742  0.00  0.00    +0.436 C 
ATOM     15  F   LIG    1        7.192   1.342   2.227  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1        7.007  -0.711   1.533  0.00  0.00    -0.164 F 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  C   LIG    1        0.019  -1.347  -0.513  0.00  0.00    +0.107 A 
ATOM     18  N   LIG    1       -0.970  -2.174  -0.016  0.00  0.00    -0.234 NA
ATOM     19  C   LIG    1       -2.090  -1.772  -0.571  0.00  0.00    +0.200 A 
ATOM     20  N   LIG    1       -1.876  -0.712  -1.401  0.00  0.00    -0.336 N 
ATOM     21  C   LIG    1       -0.537  -0.429  -1.385  0.00  0.00    +0.117 A 
BRANCH  20  22
ATOM     22  C   LIG    1       -2.884  -0.028  -2.186  0.00  0.00    +0.127 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.391   1.260  -1.533  0.00  0.00    +0.056 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.304   1.009  -0.356  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1       -5.677   0.803  -0.554  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -6.518   0.552   0.532  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -5.991   0.500   1.820  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       -7.029   0.188   3.156  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -4.629   0.698   2.031  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -3.787   0.953   0.946  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   3  17
TORSDOF 6