REMARK  Name = BDB001819
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.496  -0.252   0.743  0.00  0.00    -0.218 N 
ATOM      2  H   LIG    1        0.429   0.156  -0.179  0.00  0.00    +0.176 HD
ENDROOT
BRANCH   1   3
ATOM      3  N   LIG    1       -0.609  -0.300   1.537  0.00  0.00    -0.190 NA
ATOM      4  C   LIG    1       -1.715   0.243   1.123  0.00  0.00    +0.037 C 
ATOM      5  C   LIG    1       -1.884   0.938  -0.224  0.00  0.00    +0.052 C 
ATOM      6  C   LIG    1       -3.296   1.438  -0.510  0.00  0.00    +0.006 C 
ATOM      7  C   LIG    1       -4.340   0.335  -0.714  0.00  0.00    +0.000 C 
ATOM      8  C   LIG    1       -4.125  -0.964   0.061  0.00  0.00    +0.000 C 
ATOM      9  C   LIG    1       -3.975  -0.816   1.574  0.00  0.00    +0.006 C 
ATOM     10  C   LIG    1       -2.909   0.163   2.057  0.00  0.00    +0.052 C 
ENDBRANCH   1   3
BRANCH   1  11
ATOM     11  C   LIG    1        1.680  -0.894   1.092  0.00  0.00    +0.150 C 
ATOM     12  S   LIG    1        1.902  -1.827   2.466  0.00  0.00    -0.017 S 
BRANCH  11  13
ATOM     13  N   LIG    1        2.654  -0.673   0.128  0.00  0.00    -0.323 N 
ATOM     14  H   LIG    1        2.535   0.160  -0.435  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1        4.045  -1.115   0.214  0.00  0.00    +0.131 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.791  -0.810  -1.087  0.00  0.00    +0.178 C 
BRANCH  16  18
ATOM     17  C   LIG    1        5.593   1.402  -0.721  0.00  0.00    +0.194 C 
ATOM     18  O   LIG    1        4.686   0.576  -1.441  0.00  0.00    -0.381 OA
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   1  11
TORSDOF 6