REMARK  Name = BDB036257
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.954  -1.226  -0.615  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -1.660   0.142  -0.336  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.496   0.654  -0.875  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.454   1.986  -0.543  0.00  0.00    +0.120 A 
ATOM      5  C   LIG    1       -1.562   2.212   0.246  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        0.403  -0.126  -1.627  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.119  -1.374  -1.890  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.303   1.056   0.366  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -1.058  -1.885  -1.383  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1       -6.141  -4.032  -0.135  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -4.965  -3.154   0.074  0.00  0.00    +0.061 A 
ATOM     12  N   LIG    1       -4.699  -2.649   1.280  0.00  0.00    -0.176 NA
ATOM     13  N   LIG    1       -3.588  -1.899   1.097  0.00  0.00    -0.266 N 
ATOM     14  C   LIG    1       -3.025  -1.249   2.259  0.00  0.00    +0.173 C 
ATOM     15  C   LIG    1       -3.122  -1.932  -0.199  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1       -4.008  -2.748  -0.878  0.00  0.00    +0.052 A 
ENDBRANCH   1  15
BRANCH   6  17
ATOM     17  N   LIG    1        1.583   0.397  -2.108  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        2.020  -0.288  -2.721  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.562   0.998  -1.209  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.933   0.435  -1.459  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        4.275  -0.875  -1.131  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        3.448  -1.973  -0.573  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1        4.559  -2.956  -0.205  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        5.722  -2.675  -1.017  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        5.550  -1.367  -1.387  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        6.533  -0.598  -1.976  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        6.216   0.719  -2.305  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        4.934   1.222  -2.045  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1        4.670   2.494  -2.377  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
BRANCH   5  30
ATOM     30  C   LIG    1       -1.996   3.481   0.913  0.00  0.00    +0.140 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -1.079   3.824   2.018  0.00  0.00    -0.303 NA
ATOM     32  C   LIG    1       -1.246   2.899   3.145  0.00  0.00    +0.105 C 
ATOM     33  C   LIG    1       -1.342   5.193   2.466  0.00  0.00    +0.105 C 
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 6