REMARK  Name = BDB063920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.269  -1.213  -0.114  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.456  -2.024  -1.179  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1        0.212  -2.633  -1.617  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1       -1.758  -1.967  -1.553  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1       -2.316  -2.566  -2.450  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -2.325  -0.997  -0.580  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1       -3.613  -0.628  -0.616  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1       -1.333  -0.582   0.283  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -4.268   0.330   0.287  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -3.987   0.367   1.661  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -4.669   1.295   2.469  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -5.625   2.168   1.946  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -6.207   3.032   2.859  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       -5.701   2.809   4.051  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -5.915   2.105   0.570  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -4.520   1.575   4.163  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1       -5.238   1.187  -0.244  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1        0.934  -1.079   0.500  0.00  0.00    -0.312 N 
ATOM     19  H   LIG    1        0.909  -0.327   1.186  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.247  -1.245  -0.132  0.00  0.00    +0.099 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.232  -1.797   0.925  0.00  0.00    +0.181 C 
BRANCH  21  23
ATOM     22  C   LIG    1        3.203  -0.614   2.991  0.00  0.00    +0.194 C 
ATOM     23  O   LIG    1        3.831  -0.780   1.729  0.00  0.00    -0.381 OA
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  24
ATOM     24  C   LIG    1        2.643   0.099  -0.780  0.00  0.00    +0.027 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.745   0.031  -1.857  0.00  0.00    -0.015 C 
ATOM     26  C   LIG    1        3.723   1.324  -2.683  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1        5.149  -0.159  -1.284  0.00  0.00    +0.007 C 
ENDBRANCH  24  25
ENDBRANCH  20  24
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 7