REMARK  Name = BDB007732
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.435   0.794  -0.542  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.972   0.039   0.306  0.00  0.00    +0.246 C 
ATOM      3  N   LIG    1        0.345  -0.365   0.311  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        0.608  -1.158   0.883  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.848  -0.498   1.373  0.00  0.00    +0.058 A 
ATOM      6  C   LIG    1       -3.223  -0.621   1.136  0.00  0.00    +0.061 A 
ATOM      7  C   LIG    1       -4.051  -1.124   2.136  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1       -3.451  -1.481   3.341  0.00  0.00    +0.156 A 
ATOM      9  N   LIG    1       -2.128  -1.362   3.612  0.00  0.00    -0.259 NA
ATOM     10  C   LIG    1       -1.358  -0.860   2.620  0.00  0.00    +0.124 A 
BRANCH   7  11
ATOM     11  O   LIG    1       -5.397  -1.318   2.067  0.00  0.00    -0.487 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -6.108  -0.885   0.899  0.00  0.00    +0.176 C 
ATOM     13  C   LIG    1       -7.559  -0.642   1.317  0.00  0.00    +0.059 C 
ATOM     14  C   LIG    1       -8.403  -0.196   0.124  0.00  0.00    +0.084 C 
ATOM     15  N   LIG    1       -7.980  -0.781  -1.151  0.00  0.00    -0.316 NA
ATOM     16  H   LIG    1       -8.780  -0.846  -1.780  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -7.358  -2.086  -0.979  0.00  0.00    +0.084 C 
ATOM     18  C   LIG    1       -6.049  -1.960  -0.198  0.00  0.00    +0.059 C 
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1        1.270  -0.032  -0.773  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.599   1.473  -0.869  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        0.575   2.171  -1.594  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -0.288   1.829  -1.271  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        2.928   1.720  -1.618  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.121   1.121  -0.987  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        5.242   1.123  -1.951  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        6.557   0.666  -1.357  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        6.777   0.713   0.030  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        8.015   0.317   0.554  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        9.038  -0.100  -0.297  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.831  -0.131  -1.674  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.660   1.125   0.953  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        7.598   0.255  -2.203  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        4.526   1.859   0.222  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 8