REMARK  Name = BDB021278
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.773  -3.340  -1.067  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        0.442  -2.754  -0.806  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        0.172  -1.495  -0.503  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1       -1.191  -1.268  -0.521  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -1.760  -0.021  -0.216  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1       -0.992   0.997   0.053  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        0.371   0.782   0.063  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        1.021  -0.381  -0.185  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -1.798  -2.439  -0.911  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.459  -0.481  -0.133  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        3.375   0.548  -0.031  0.00  0.00    +0.117 A 
ATOM     12  N   LIG    1        4.614  -0.034  -0.021  0.00  0.00    -0.268 N 
ATOM     13  N   LIG    1        4.568  -1.374  -0.103  0.00  0.00    -0.179 NA
ATOM     14  C   LIG    1        3.262  -1.645  -0.181  0.00  0.00    +0.143 A 
BRANCH  12  15
ATOM     15  C   LIG    1        5.894   0.656   0.068  0.00  0.00    +0.111 C 
ATOM     16  C   LIG    1        6.661   0.290   1.341  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1        7.999   1.011   1.363  0.00  0.00    +0.162 C 
ATOM     18  O   LIG    1        8.753   0.722   0.187  0.00  0.00    -0.380 OA
ATOM     19  C   LIG    1        8.096   1.138  -1.008  0.00  0.00    +0.162 C 
ATOM     20  C   LIG    1        6.763   0.424  -1.171  0.00  0.00    +0.055 C 
ENDBRANCH  12  15
ENDBRANCH   8  10
BRANCH   1  22
ATOM     21  N   LIG    1       -1.000  -5.824  -1.772  0.00  0.00    -0.189 NA
ATOM     22  C   LIG    1       -0.879  -4.713  -1.457  0.00  0.00    +0.121 C 
ENDBRANCH   1  22
BRANCH   5  23
ATOM     23  N   LIG    1       -3.126   0.145  -0.226  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.315   1.146  -0.251  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.916  -0.438   0.854  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.375  -0.259   0.558  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -6.073   0.899   0.888  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.634   2.111   1.620  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -6.824   3.025   1.328  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -7.973   2.211   1.005  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -7.426   1.024   0.595  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -8.141   0.024  -0.033  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1       -7.457  -1.138  -0.390  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -6.093  -1.268  -0.098  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1       -5.469  -2.401  -0.450  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   5  23
TORSDOF 6