REMARK  Name = BDB007554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.556   1.132  -0.444  0.00  0.00    +0.248 C 
ATOM      2  N   LIG    1       -0.689   0.572  -0.597  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.746  -0.362  -0.998  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.701   2.311  -0.133  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        1.691  -1.103  -1.053  0.00  0.00    +0.132 A 
ATOM      6  C   LIG    1        1.751   0.249  -0.670  0.00  0.00    +0.080 A 
ATOM      7  C   LIG    1        3.010   0.853  -0.470  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1        4.213   0.149  -0.613  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        4.128  -1.178  -1.031  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1        2.889  -1.801  -1.239  0.00  0.00    +0.048 A 
BRANCH   5  12
ATOM     11  C   LIG    1        0.385  -3.074  -1.444  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        0.457  -1.665  -1.256  0.00  0.00    -0.494 OA
ENDBRANCH   5  12
BRANCH   8  13
ATOM     13  N   LIG    1        5.410   0.842  -0.452  0.00  0.00    -0.341 N 
ATOM     14  H   LIG    1        5.305   1.668   0.135  0.00  0.00    +0.146 HD
BRANCH  13  15
ATOM     15  C   LIG    1        6.707   0.174  -0.303  0.00  0.00    +0.075 C 
ATOM     16  C   LIG    1        7.814   1.213  -0.536  0.00  0.00    +0.050 C 
ATOM     17  C   LIG    1        9.104   0.749   0.118  0.00  0.00    +0.161 C 
ATOM     18  O   LIG    1        8.989   0.591   1.532  0.00  0.00    -0.380 OA
ATOM     19  C   LIG    1        7.666   0.366   2.017  0.00  0.00    +0.161 C 
ATOM     20  C   LIG    1        6.841  -0.494   1.073  0.00  0.00    +0.050 C 
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   1   6
BRANCH   2  21
ATOM     21  C   LIG    1       -1.906   1.355  -0.538  0.00  0.00    +0.137 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.161   0.470  -0.427  0.00  0.00    +0.145 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -3.161  -0.452  -1.531  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -3.208   0.084  -2.342  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -3.181  -0.308   0.908  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.448  -0.856   1.414  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -5.396   0.134   1.927  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -6.375   0.680   0.916  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -6.710  -0.054  -0.233  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -7.658   0.456  -1.131  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -8.281   1.678  -0.884  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.961   2.402   0.262  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.018  -1.358  -0.539  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -7.017   1.904   1.160  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -5.101  -1.867   0.584  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 9