REMARK  Name = BDB007618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.366   1.440   1.368  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.228   0.534   0.790  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.384  -0.316  -0.110  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -0.190  -0.835  -0.763  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.688   0.330   1.014  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -2.434   1.399   1.524  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -3.809   1.266   1.727  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -4.463   0.064   1.418  0.00  0.00    -0.033 A 
ATOM      9  C   LIG    1       -3.705  -1.017   0.943  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -2.326  -0.887   0.744  0.00  0.00    +0.013 A 
BRANCH   8  11
ATOM     11  C   LIG    1       -5.960  -0.078   1.625  0.00  0.00    +0.119 C 
BRANCH  11  12
ATOM     12  N   LIG    1       -6.732   1.004   0.992  0.00  0.00    -0.296 NA
ATOM     13  C   LIG    1       -8.123   1.026   1.484  0.00  0.00    +0.100 C 
ATOM     14  C   LIG    1       -9.009  -0.146   0.992  0.00  0.00    +0.096 C 
ATOM     15  N   LIG    1       -8.675  -0.668  -0.348  0.00  0.00    -0.314 NA
ATOM     16  H   LIG    1       -7.996  -1.420  -0.230  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -8.028   0.388  -1.141  0.00  0.00    +0.096 C 
ATOM     18  C   LIG    1       -6.724   0.921  -0.487  0.00  0.00    +0.100 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1        1.731  -0.038  -0.582  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.387  -1.298  -1.171  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.504  -1.816  -2.188  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        1.886  -2.664  -2.478  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        3.775  -1.009  -1.796  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.951  -1.170  -0.918  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        6.210  -1.031  -1.695  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        7.296  -0.154  -1.104  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        7.326   0.107   0.274  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        8.377   0.842   0.830  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        9.386   1.338   0.011  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        9.358   1.090  -1.360  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.201  -0.423   1.113  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        8.324   0.338  -1.916  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        4.905  -0.349   0.298  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 8