REMARK  Name = BDB007600
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.007  -1.820   1.269  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.669  -0.887   0.511  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.274  -0.594  -0.376  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.529  -2.466   2.164  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.576  -1.314  -0.026  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1        2.216  -1.094   0.250  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        1.446  -2.040   0.946  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        2.043  -3.229   1.378  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        3.381  -3.478   1.088  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        4.131  -2.535   0.376  0.00  0.00    +0.023 A 
BRANCH   5  11
ATOM     11  N   LIG    1        4.256  -0.358  -0.783  0.00  0.00    -0.341 N 
ATOM     12  H   LIG    1        3.871   0.580  -0.668  0.00  0.00    +0.146 HD
BRANCH  11  17
ATOM     13  C   LIG    1        9.122   1.902  -0.416  0.00  0.00    +0.104 C 
ATOM     14  N   LIG    1        7.710   1.881  -0.792  0.00  0.00    -0.305 NA
ATOM     15  C   LIG    1        7.507   1.065  -1.996  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        6.068   0.576  -2.123  0.00  0.00    +0.037 C 
ATOM     17  C   LIG    1        5.714  -0.364  -0.955  0.00  0.00    +0.073 C 
ATOM     18  C   LIG    1        6.440   0.036   0.342  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1        6.842   1.509   0.336  0.00  0.00    +0.086 C 
ENDBRANCH  11  17
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1       -2.117  -0.769   0.600  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.591   0.570   0.030  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -2.212   0.645  -1.362  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -2.998   0.288  -1.831  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -4.118   0.799   0.151  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.855   0.074  -0.913  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -5.932   0.901  -1.492  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -7.063   1.166  -0.531  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -7.478   0.145   0.336  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -8.576   0.355   1.181  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -9.234   1.581   1.190  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -8.807   2.604   0.350  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.731  -1.161   0.379  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -7.733   2.394  -0.518  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -5.419  -1.209  -0.447  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8