REMARK  Name = BDB006909
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.013  -0.689  -1.811  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.331   0.561  -1.304  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.538   0.911  -0.669  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.507   2.247  -0.262  0.00  0.00    -0.019 A 
ATOM      5  C   LIG    1        2.592   2.818   0.393  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1        3.718   2.031   0.639  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        3.763   0.685   0.228  0.00  0.00    -0.041 A 
ATOM      8  C   LIG    1        0.207   2.911  -0.647  0.00  0.00    +0.008 C 
ATOM      9  C   LIG    1       -0.508   3.522   0.561  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.440   3.973  -1.728  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.656   0.126  -0.435  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -0.590   1.709  -1.216  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1        0.763  -1.670  -1.778  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -1.357  -0.841  -2.493  0.00  0.00    +0.181 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -2.450  -1.683  -0.441  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -2.498  -0.700  -1.561  0.00  0.00    -0.286 NA
ATOM     17  C   LIG    1       -3.784  -0.773  -2.289  0.00  0.00    +0.103 C 
ATOM     18  C   LIG    1       -4.531  -2.139  -2.244  0.00  0.00    +0.065 C 
ATOM     19  C   LIG    1       -5.384  -2.330  -3.497  0.00  0.00    +0.025 C 
ATOM     20  N   LIG    1       -3.627  -3.288  -2.090  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -2.999  -3.310  -2.894  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -2.803  -3.139  -0.874  0.00  0.00    +0.102 C 
BRANCH  15  23
ATOM     23  C   LIG    1       -3.347  -1.229   0.746  0.00  0.00    +0.179 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -3.657   0.460   2.369  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -2.867   0.013   1.277  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  15  23
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   7  26
ATOM     26  C   LIG    1        4.988  -0.158   0.505  0.00  0.00    +0.070 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.171  -0.512   1.964  0.00  0.00    -0.043 A 
ATOM     28  C   LIG    1        4.283  -1.393   2.599  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        4.451  -1.720   3.945  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.508  -1.172   4.670  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.396  -0.296   4.050  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.230   0.033   2.704  0.00  0.00    +0.004 A 
ENDBRANCH  26  27
ENDBRANCH   7  26
TORSDOF 6