REMARK  Name = BDB003724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.382  -1.024   1.080  0.00  0.00    -0.299 N 
ATOM      2  C   LIG    1       -1.300  -1.583   1.927  0.00  0.00    +0.193 A 
ATOM      3  N   LIG    1       -0.953  -2.815   2.213  0.00  0.00    -0.122 NA
ATOM      4  N   LIG    1        0.210  -3.089   1.541  0.00  0.00    -0.130 NA
ATOM      5  C   LIG    1        0.565  -2.009   0.871  0.00  0.00    +0.172 A 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -0.351   0.331   0.555  0.00  0.00    +0.152 C 
BRANCH   6   8
ATOM      7  C   LIG    1        0.293   0.979  -1.789  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1       -0.548   0.383  -0.933  0.00  0.00    -0.013 C 
ENDBRANCH   6   8
ENDBRANCH   1   6
BRANCH   2   9
ATOM      9  S   LIG    1       -2.677  -0.780   2.593  0.00  0.00    -0.074 S 
BRANCH   9  10
ATOM     10  C   LIG    1       -4.047  -1.464   1.582  0.00  0.00    +0.137 C 
ATOM     11  C   LIG    1       -4.057  -2.986   1.500  0.00  0.00    +0.029 C 
BRANCH  10  12
ATOM     12  C   LIG    1       -4.017  -0.803   0.202  0.00  0.00    +0.226 C 
ATOM     13  N   LIG    1       -4.374   0.538   0.227  0.00  0.00    -0.312 N 
ATOM     14  H   LIG    1       -4.554   0.973   1.125  0.00  0.00    +0.149 HD
ATOM     15  O   LIG    1       -3.698  -1.392  -0.827  0.00  0.00    -0.275 OA
BRANCH  13  16
ATOM     16  C   LIG    1       -4.387   1.358  -0.942  0.00  0.00    +0.073 C 
ATOM     17  C   LIG    1       -4.979   2.741  -0.897  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1       -3.495   2.566  -1.032  0.00  0.00    +0.024 C 
ENDBRANCH  13  16
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   2   9
BRANCH   5  19
ATOM     19  C   LIG    1        1.769  -1.886   0.004  0.00  0.00    +0.305 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.538  -0.789   0.496  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.638  -0.428  -0.231  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1        4.298   0.712   0.241  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        5.433   1.212  -0.411  0.00  0.00    -0.047 A 
ATOM     24  C   LIG    1        6.149   2.414   0.127  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1        5.920   0.537  -1.534  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        5.270  -0.603  -2.006  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        4.131  -1.086  -1.357  0.00  0.00    +0.045 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 9