REMARK  Name = BDB000527
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.855  -1.317  -0.026  0.00  0.00    +0.162 C 
ATOM      2  C   LIG    1       -0.544  -1.951  -0.486  0.00  0.00    +0.177 C 
ATOM      3  C   LIG    1       -0.196  -1.094  -1.691  0.00  0.00    +0.195 C 
ATOM      4  C   LIG    1       -0.615   0.301  -1.212  0.00  0.00    +0.253 C 
ATOM      5  O   LIG    1       -1.727   0.097  -0.306  0.00  0.00    -0.347 OA
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1        0.431   1.036  -0.526  0.00  0.00    -0.286 N 
ATOM      7  C   LIG    1        1.597   1.458  -1.106  0.00  0.00    +0.167 A 
ATOM      8  C   LIG    1        2.282   2.118  -0.100  0.00  0.00    +0.147 A 
ATOM      9  C   LIG    1        3.538   2.650  -0.438  0.00  0.00    +0.147 A 
ATOM     10  N   LIG    1        3.997   2.469  -1.698  0.00  0.00    -0.219 NA
ATOM     11  C   LIG    1        3.213   1.810  -2.579  0.00  0.00    +0.225 A 
ATOM     12  N   LIG    1        1.559   2.101   1.074  0.00  0.00    -0.231 NA
ATOM     13  N   LIG    1        1.996   1.265  -2.373  0.00  0.00    -0.216 NA
ATOM     14  C   LIG    1        0.441   1.472   0.772  0.00  0.00    +0.203 A 
BRANCH   9  15
ATOM     15  N   LIG    1        4.341   3.337   0.461  0.00  0.00    -0.341 N 
ATOM     16  H   LIG    1        5.315   3.333   0.192  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        4.113   3.157   1.433  0.00  0.00    +0.144 HD
ENDBRANCH   9  15
ENDBRANCH   4   6
BRANCH   2  18
ATOM     18  O   LIG    1       -0.691  -3.323  -0.818  0.00  0.00    -0.386 OA
ATOM     19  H   LIG    1       -0.863  -3.357  -1.783  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1       -0.980  -1.554  -2.814  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1       -1.854  -1.121  -2.789  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   1  22
ATOM     22  C   LIG    1       -2.120  -1.576   1.459  0.00  0.00    +0.103 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -3.706  -1.396   3.707  0.00  0.00    +0.084 C 
ATOM     24  S   LIG    1       -3.766  -0.953   1.954  0.00  0.00    -0.161 S 
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 6