REMARK  Name = BDB014179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.116   0.534   0.624  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        0.774  -0.372   1.123  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        2.020   0.147   0.835  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.891   1.359   0.185  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.597   1.565   0.083  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.296  -0.476   1.163  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.253  -1.676   1.797  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.432  -2.246   2.114  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.661  -1.684   1.819  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        5.696  -0.458   1.151  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        4.488   0.160   0.829  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.980   0.139   0.843  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1        7.338   0.889  -0.255  0.00  0.00    +0.166 A 
ATOM     14  N   LIG    1        8.656   1.170  -0.044  0.00  0.00    -0.253 N 
ATOM     15  H   LIG    1        9.304   1.700  -0.620  0.00  0.00    +0.191 HD
ATOM     16  N   LIG    1        9.102   0.618   1.090  0.00  0.00    -0.067 NA
ATOM     17  N   LIG    1        8.084  -0.026   1.643  0.00  0.00    -0.129 NA
BRANCH  13  18
ATOM     18  C   LIG    1        6.662   1.354  -1.460  0.00  0.00    +0.436 C 
ATOM     19  F   LIG    1        7.560   1.767  -2.394  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1        5.855   2.411  -1.210  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1        5.910   0.391  -2.041  0.00  0.00    -0.164 F 
ENDBRANCH  13  18
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  22
ATOM     22  C   LIG    1       -1.560   0.445   0.692  0.00  0.00    +0.131 C 
BRANCH  22  29
ATOM     23  C   LIG    1       -6.527   0.469  -0.178  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1       -5.934  -0.794  -0.247  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1       -4.547  -0.945  -0.409  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1       -3.987  -2.340  -0.545  0.00  0.00    +0.035 C 
ATOM     27  C   LIG    1       -2.468  -2.411  -0.424  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -1.814  -1.279  -1.206  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -2.228   0.101  -0.658  0.00  0.00    +0.039 C 
ATOM     30  C   LIG    1       -3.739   0.200  -0.512  0.00  0.00    -0.039 A 
ATOM     31  C   LIG    1       -4.343   1.467  -0.451  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1       -5.725   1.601  -0.283  0.00  0.00    +0.046 A 
BRANCH  23  34
ATOM     33  C   LIG    1       -8.537   1.717   0.055  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -7.885   0.455  -0.015  0.00  0.00    -0.495 OA
ENDBRANCH  23  34
ENDBRANCH  22  29
ENDBRANCH   1  22
TORSDOF 6