REMARK  Name = BDB021275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.527  -0.210   0.594  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        1.013  -0.777  -0.620  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.306  -0.503  -0.938  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.588  -1.162  -2.114  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.582  -1.794  -2.461  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.142   0.300  -0.138  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.669   0.802   0.968  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.566  -1.552  -1.539  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.643   0.537   1.297  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  N   LIG    1        5.033  -0.840   1.133  0.00  0.00    -0.269 N 
ATOM     11  N   LIG    1        4.725  -0.523   2.406  0.00  0.00    -0.179 NA
ATOM     12  C   LIG    1        3.420  -0.241   2.351  0.00  0.00    +0.143 A 
ATOM     13  C   LIG    1        2.878  -0.404   1.054  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        3.954  -0.813   0.296  0.00  0.00    +0.117 A 
BRANCH  10  15
ATOM     15  C   LIG    1        6.380  -1.260   0.799  0.00  0.00    +0.171 C 
BRANCH  15  16
ATOM     16  C   LIG    1        7.081  -0.328  -0.188  0.00  0.00    +0.182 C 
BRANCH  16  18
ATOM     17  C   LIG    1        8.140   1.139   1.372  0.00  0.00    +0.194 C 
ATOM     18  O   LIG    1        7.254   1.014   0.269  0.00  0.00    -0.381 OA
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  10  15
ENDBRANCH   1  13
BRANCH   5  19
ATOM     19  C   LIG    1        0.814  -2.616  -3.610  0.00  0.00    +0.121 C 
ATOM     20  N   LIG    1        0.969  -3.276  -4.553  0.00  0.00    -0.189 NA
ENDBRANCH   5  19
BRANCH   6  21
ATOM     21  N   LIG    1       -2.439   0.523  -0.548  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.632   0.438  -1.539  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.266   1.526   0.101  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.686   1.374  -0.361  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.494   0.321   0.056  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.182  -0.832   0.935  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.599  -1.359   1.161  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.447  -0.914   0.077  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.794   0.185  -0.414  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.349   1.074  -1.313  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.560   2.142  -1.741  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.248   2.282  -1.268  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.514   3.309  -1.719  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 8