REMARK  Name = BDB028868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.108   3.738  -0.069  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.479   2.511   0.018  0.00  0.00    +0.168 A 
ATOM      3  N   LIG    1        1.478   1.581   0.151  0.00  0.00    -0.183 N 
ATOM      4  C   LIG    1        1.171   0.211   0.268  0.00  0.00    +0.223 A 
ATOM      5  N   LIG    1       -0.087  -0.143   0.244  0.00  0.00    -0.161 NA
ATOM      6  C   LIG    1       -1.039   0.842   0.103  0.00  0.00    +0.323 A 
ATOM      7  N   LIG    1        2.720   2.114   0.163  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -0.820   2.116  -0.005  0.00  0.00    -0.175 NA
ATOM      9  C   LIG    1        2.487   3.422   0.026  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -0.272   5.234  -1.541  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1        0.500   5.100  -0.227  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1       -0.389   5.472   0.962  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   4  13
ATOM     13  N   LIG    1        2.126  -0.776   0.403  0.00  0.00    -0.308 N 
ATOM     14  H   LIG    1        1.723  -1.668   0.670  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  C   LIG    1        3.474  -0.577   0.889  0.00  0.00    +0.159 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.174  -1.870   1.129  0.00  0.00    +0.056 A 
ATOM     17  N   LIG    1        4.768  -2.605   0.134  0.00  0.00    -0.270 N 
ATOM     18  C   LIG    1        4.822  -2.295  -1.277  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1        5.342  -3.738   0.582  0.00  0.00    -0.180 NA
ATOM     20  C   LIG    1        5.104  -3.722   1.894  0.00  0.00    +0.134 A 
ATOM     21  C   LIG    1        4.380  -2.586   2.291  0.00  0.00    +0.046 A 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   4  13
BRANCH   6  22
ATOM     22  O   LIG    1       -2.326   0.414   0.081  0.00  0.00    -0.459 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -2.640  -0.993   0.167  0.00  0.00    +0.179 C 
ATOM     24  C   LIG    1       -4.079  -1.110   0.668  0.00  0.00    +0.060 C 
ATOM     25  C   LIG    1       -4.548  -2.563   0.644  0.00  0.00    +0.087 C 
ATOM     26  N   LIG    1       -4.394  -3.218  -0.661  0.00  0.00    -0.305 NA
ATOM     27  C   LIG    1       -5.392  -2.765  -1.628  0.00  0.00    +0.104 C 
ATOM     28  C   LIG    1       -3.024  -3.085  -1.174  0.00  0.00    +0.087 C 
ATOM     29  C   LIG    1       -2.509  -1.648  -1.207  0.00  0.00    +0.060 C 
ENDBRANCH  22  23
ENDBRANCH   6  22
TORSDOF 6