REMARK  Name = BDB007572
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.433   0.966   0.074  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.471   0.287   0.863  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.144  -0.561   1.307  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.337   2.144  -0.243  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        0.225  -1.708  -1.326  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1        1.535  -1.074  -0.954  0.00  0.00    -0.038 A 
ATOM      7  C   LIG    1        1.626   0.179  -0.327  0.00  0.00    +0.041 A 
ATOM      8  C   LIG    1        2.879   0.755  -0.059  0.00  0.00    +0.036 A 
ATOM      9  C   LIG    1        4.074   0.078  -0.338  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        3.972  -1.171  -0.955  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        2.727  -1.746  -1.249  0.00  0.00    +0.006 A 
BRANCH   9  12
ATOM     12  N   LIG    1        5.277   0.734  -0.094  0.00  0.00    -0.341 N 
ATOM     13  H   LIG    1        5.196   1.450   0.624  0.00  0.00    +0.146 HD
BRANCH  12  14
ATOM     14  C   LIG    1        6.576   0.057  -0.139  0.00  0.00    +0.075 C 
ATOM     15  C   LIG    1        7.545   0.758   0.816  0.00  0.00    +0.050 C 
ATOM     16  C   LIG    1        8.918   0.093   0.771  0.00  0.00    +0.161 C 
ATOM     17  O   LIG    1        9.197  -0.540  -0.478  0.00  0.00    -0.380 OA
ATOM     18  C   LIG    1        8.658   0.176  -1.584  0.00  0.00    +0.161 C 
ATOM     19  C   LIG    1        7.138   0.087  -1.568  0.00  0.00    +0.050 C 
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1       -1.609   0.977   1.447  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.732   0.026   1.888  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -3.649   0.722   2.741  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -4.471   0.203   2.783  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.456  -0.686   0.714  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.953   0.152  -0.394  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -4.948   1.165  -0.004  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -6.306   0.596   0.341  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.741  -0.611  -0.239  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -8.019  -1.102   0.057  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -8.866  -0.392   0.908  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -8.443   0.810   1.472  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.812  -1.410  -1.122  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -7.170   1.305   1.187  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.519  -0.659  -1.488  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8