REMARK  Name = BDB007563
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.832   0.126  -1.834  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.323   1.404  -1.736  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.935   2.166  -1.476  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.216  -0.797  -2.353  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -4.816  -0.597  -0.322  0.00  0.00    +0.060 A 
ATOM      6  C   LIG    1       -4.046   0.457   0.188  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -2.751   0.708  -0.288  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -2.203  -0.093  -1.294  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -2.953  -1.158  -1.800  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -4.245  -1.402  -1.321  0.00  0.00    +0.026 A 
BRANCH   5  16
ATOM     11  C   LIG    1       -9.030  -2.964  -0.106  0.00  0.00    +0.063 C 
ATOM     12  C   LIG    1       -7.971  -1.961   0.190  0.00  0.00    +0.043 C 
ATOM     13  C   LIG    1       -8.162  -0.892   1.213  0.00  0.00    +0.150 C 
ATOM     14  C   LIG    1       -6.851  -0.170   1.129  0.00  0.00    +0.245 C 
ATOM     15  O   LIG    1       -6.556   0.804   1.802  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1       -6.127  -0.865   0.146  0.00  0.00    -0.161 N 
ATOM     17  N   LIG    1       -6.818  -1.931  -0.402  0.00  0.00    -0.181 NA
ENDBRANCH   5  16
ENDBRANCH   1   8
BRANCH   2  18
ATOM     18  C   LIG    1        0.964   1.761  -2.321  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.132   1.669  -1.320  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.769   2.418  -0.149  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        1.012   1.944   0.241  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.494   0.206  -0.956  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.785  -0.041  -0.283  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        3.937   0.683   0.988  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.256   0.388   1.676  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        6.361  -0.080   0.942  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        7.582  -0.308   1.590  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        7.714  -0.050   2.954  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.628   0.433   3.681  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.210  -0.400  -0.525  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        5.405   0.654   3.045  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.945   0.215  -1.144  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 7