REMARK  Name = BDB001803
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.711   1.157   0.826  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -0.276   0.256   0.580  0.00  0.00    -0.304 N 
ATOM      3  H   LIG    1       -0.686   0.075  -0.321  0.00  0.00    +0.171 HD
ATOM      4  C   LIG    1       -0.540  -0.350   1.779  0.00  0.00    +0.222 A 
ATOM      5  N   LIG    1        0.276   0.150   2.685  0.00  0.00    -0.112 NA
ATOM      6  N   LIG    1        1.056   1.115   2.086  0.00  0.00    -0.121 NA
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -1.444  -1.349   2.033  0.00  0.00    -0.251 N 
ATOM      8  H   LIG    1       -1.343  -1.789   2.941  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -2.368  -1.931   1.204  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1       -2.899  -2.998   1.502  0.00  0.00    -0.270 OA
BRANCH   9  11
ATOM     11  C   LIG    1       -2.782  -1.274  -0.048  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -3.360   0.003  -0.017  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -3.716   0.635  -1.214  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1       -4.359   1.991  -1.195  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1       -3.528  -0.044  -2.426  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1       -2.981  -1.330  -2.447  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -2.611  -1.951  -1.256  0.00  0.00    +0.013 A 
ENDBRANCH   9  11
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  S   LIG    1        1.340   2.141  -0.434  0.00  0.00    -0.075 S 
BRANCH  18  19
ATOM     19  C   LIG    1        2.744   2.924   0.416  0.00  0.00    +0.197 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.835   1.974   0.860  0.00  0.00    +0.317 C 
ATOM     21  O   LIG    1        4.621   2.244   1.763  0.00  0.00    -0.250 OA
BRANCH  20  22
ATOM     22  O   LIG    1        3.912   0.849   0.095  0.00  0.00    -0.464 OA
BRANCH  22  24
ATOM     23  C   LIG    1        4.824  -1.305  -0.379  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1        4.927  -0.076   0.502  0.00  0.00    +0.229 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7