REMARK  Name = BDB014178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.092  -0.571  -0.990  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        0.802   0.421  -0.704  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.987  -0.228  -0.425  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        1.823  -1.594  -0.556  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1        0.566  -1.764  -0.903  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.239   0.416  -0.052  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.247   1.774  -0.009  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.402   2.373   0.340  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.568   1.689   0.641  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        5.553   0.296   0.580  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        4.362  -0.350   0.239  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        6.726  -0.496   0.883  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1        8.028  -0.263   0.503  0.00  0.00    +0.166 A 
ATOM     14  N   LIG    1        8.715  -1.319   1.027  0.00  0.00    -0.253 N 
ATOM     15  H   LIG    1        9.705  -1.539   0.971  0.00  0.00    +0.191 HD
ATOM     16  N   LIG    1        7.903  -2.157   1.683  0.00  0.00    -0.067 NA
ATOM     17  N   LIG    1        6.674  -1.669   1.592  0.00  0.00    -0.129 NA
BRANCH  13  18
ATOM     18  C   LIG    1        8.705   0.760  -0.282  0.00  0.00    +0.436 C 
ATOM     19  F   LIG    1        8.802   1.931   0.394  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1        9.974   0.386  -0.591  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1        8.077   1.022  -1.451  0.00  0.00    -0.164 F 
ENDBRANCH  13  18
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  22
ATOM     22  C   LIG    1       -1.481  -0.386  -1.363  0.00  0.00    +0.131 C 
BRANCH  22  28
ATOM     23  C   LIG    1       -6.255   0.165  -0.446  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1       -4.959  -0.140   0.031  0.00  0.00    -0.002 A 
ATOM     25  C   LIG    1       -4.817  -1.024   1.251  0.00  0.00    +0.039 C 
ATOM     26  C   LIG    1       -3.461  -0.880   1.926  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -2.360  -1.074   0.899  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1       -2.397   0.025  -0.184  0.00  0.00    +0.039 C 
ATOM     29  C   LIG    1       -3.818   0.359  -0.642  0.00  0.00    -0.036 A 
ATOM     30  C   LIG    1       -4.013   1.244  -1.717  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -5.292   1.561  -2.167  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -6.410   1.012  -1.544  0.00  0.00    +0.046 A 
BRANCH  23  34
ATOM     33  C   LIG    1       -8.614  -0.126  -0.205  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -7.295  -0.416   0.235  0.00  0.00    -0.495 OA
ENDBRANCH  23  34
ENDBRANCH  22  28
ENDBRANCH   1  22
TORSDOF 6