REMARK  Name = BDB063927
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.744   1.514  -1.132  0.00  0.00    +0.187 C 
ATOM      2  N   LIG    1        0.556   2.764  -0.656  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.224   3.369  -0.834  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.679   3.160  -0.006  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.912   4.227   0.525  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.551   1.959  -0.119  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.779   1.922   0.414  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.895   0.986  -0.843  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.730   0.801   0.357  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.313  -0.539   0.401  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.283  -1.557   0.377  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.650  -1.274   0.324  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.486  -2.379   0.307  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.763  -3.474   0.344  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        7.059   0.072   0.298  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        5.065  -3.267   0.407  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        6.098   1.092   0.320  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.211   0.877  -1.856  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1        0.083  -0.073  -2.084  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.632   0.914  -1.521  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.927   0.067  -0.261  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.387   0.252   0.228  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -4.438  -0.222  -0.795  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1       -5.863  -0.042  -0.270  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -6.064  -0.734   1.073  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -5.028  -0.280   2.094  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1       -3.607  -0.471   1.571  0.00  0.00    +0.006 C 
ENDBRANCH  21  22
BRANCH  21  29
ATOM     28  C   LIG    1       -0.654  -1.899   0.188  0.00  0.00    +0.194 C 
ATOM     29  O   LIG    1       -1.698  -1.315  -0.583  0.00  0.00    -0.378 OA
ENDBRANCH  21  29
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6