REMARK  Name = BDB014168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.901  -0.145   0.681  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1       -0.041   0.507  -0.060  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1       -1.234  -0.119   0.239  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1       -1.021  -1.131   1.157  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.269  -1.115   1.403  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -2.535   0.224  -0.319  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1       -2.579   1.268  -1.186  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1       -3.781   1.587  -1.707  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1       -4.956   0.923  -1.401  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -4.902  -0.139  -0.499  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -3.665  -0.500   0.041  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -6.083  -0.890  -0.127  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1       -7.339  -0.407   0.160  0.00  0.00    +0.166 A 
ATOM     14  N   LIG    1       -8.055  -1.526   0.472  0.00  0.00    -0.253 N 
ATOM     15  H   LIG    1       -9.027  -1.615   0.753  0.00  0.00    +0.191 HD
ATOM     16  N   LIG    1       -7.302  -2.630   0.392  0.00  0.00    -0.067 NA
ATOM     17  N   LIG    1       -6.082  -2.252   0.036  0.00  0.00    -0.129 NA
BRANCH  13  18
ATOM     18  C   LIG    1       -7.949   0.914   0.213  0.00  0.00    +0.436 C 
ATOM     19  F   LIG    1       -8.149   1.426  -1.027  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1       -7.199   1.807   0.899  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1       -9.166   0.874   0.815  0.00  0.00    -0.164 F 
ENDBRANCH  13  18
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  22
ATOM     22  C   LIG    1        2.320   0.147   0.709  0.00  0.00    +0.127 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.079  -0.622  -0.370  0.00  0.00    +0.056 C 
BRANCH  23  27
ATOM     24  C   LIG    1        7.308   0.286  -0.212  0.00  0.00    +0.055 A 
ATOM     25  C   LIG    1        6.785  -0.804   0.499  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        5.421  -1.100   0.446  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        4.556  -0.317  -0.329  0.00  0.00    -0.046 A 
ATOM     28  C   LIG    1        5.075   0.769  -1.044  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        6.439   1.065  -0.990  0.00  0.00    +0.012 A 
BRANCH  24  31
ATOM     30  F   LIG    1        9.063   1.915  -0.340  0.00  0.00    -0.166 F 
ATOM     31  C   LIG    1        8.786   0.591  -0.172  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1        9.476  -0.062  -1.147  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        9.373   0.236   1.005  0.00  0.00    -0.166 F 
ENDBRANCH  24  31
ENDBRANCH  23  27
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7