REMARK  Name = BDB014527
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.670  -3.939  -0.394  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        1.020  -2.784  -0.169  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        0.120  -1.738  -0.084  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        0.412  -0.884   0.382  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.311  -1.985  -0.069  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -2.088  -0.681  -0.270  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -1.705   0.252   0.757  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -2.461   0.875   0.812  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -3.610  -0.917  -0.196  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -4.352   0.364  -0.167  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -5.735   0.124   0.304  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -6.625   1.346   0.232  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -6.311   2.419  -0.620  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -7.166   3.526  -0.693  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -8.343   3.557   0.055  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -8.669   2.487   0.885  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.023   2.404  -1.401  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -7.817   1.385   0.971  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -4.405   1.001  -1.496  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        2.472  -2.347   0.028  0.00  0.00    +0.326 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.346  -3.466   0.015  0.00  0.00    -0.467 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.668  -3.117   0.200  0.00  0.00    +0.217 A 
ATOM     23  N   LIG    1        5.005  -1.817   0.359  0.00  0.00    -0.198 NA
ATOM     24  C   LIG    1        6.305  -1.520   0.547  0.00  0.00    +0.123 A 
ATOM     25  C   LIG    1        7.281  -2.517   0.559  0.00  0.00    +0.044 A 
ATOM     26  C   LIG    1        6.914  -3.850   0.393  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        5.576  -4.159   0.210  0.00  0.00    +0.067 A 
BRANCH  24  28
ATOM     28  N   LIG    1        6.731  -0.196   0.693  0.00  0.00    -0.326 N 
ATOM     29  H   LIG    1        7.346  -0.131   1.500  0.00  0.00    +0.148 HD
BRANCH  28  30
ATOM     30  C   LIG    1        5.774   0.917   0.651  0.00  0.00    +0.076 C 
ATOM     31  C   LIG    1        5.115   1.085  -0.716  0.00  0.00    +0.050 C 
ATOM     32  C   LIG    1        4.211   2.314  -0.726  0.00  0.00    +0.161 C 
ATOM     33  O   LIG    1        3.672   2.647   0.556  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        3.435   1.505   1.372  0.00  0.00    +0.161 C 
ATOM     35  C   LIG    1        4.763   0.898   1.803  0.00  0.00    +0.050 C 
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 10