REMARK  Name = BDB003545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.014  -1.664  -0.654  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -1.017  -1.139  -1.435  0.00  0.00    +0.101 A 
ATOM      3  C   LIG    1       -2.116  -0.520  -0.819  0.00  0.00    +0.036 A 
ATOM      4  C   LIG    1       -2.205  -0.439   0.580  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1       -1.164  -0.977   1.351  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.067  -1.592   0.742  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.387   0.160   1.222  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1       -3.395   1.456   1.781  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -4.559   1.947   2.395  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -5.718   1.173   2.448  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.724  -0.101   1.892  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -4.571  -0.602   1.287  0.00  0.00    +0.009 A 
BRANCH   8  13
ATOM     13  S   LIG    1       -1.968   2.542   1.757  0.00  0.00    -0.128 S 
ATOM     14  C   LIG    1       -2.273   3.356   0.168  0.00  0.00    +0.090 C 
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  16
ATOM     15  N   LIG    1        2.395  -1.879  -1.289  0.00  0.00    -0.296 N 
ATOM     16  C   LIG    1        1.125  -2.436  -1.234  0.00  0.00    +0.248 C 
ATOM     17  O   LIG    1        0.844  -3.570  -1.616  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1        3.454  -2.653  -1.915  0.00  0.00    +0.132 C 
BRANCH  15  19
ATOM     19  C   LIG    1        2.674  -0.458  -1.061  0.00  0.00    +0.143 C 
BRANCH  19  21
ATOM     20  C   LIG    1        3.298   1.245   0.727  0.00  0.00    -0.043 A 
ATOM     21  C   LIG    1        3.173  -0.109   0.331  0.00  0.00    -0.027 A 
ATOM     22  C   LIG    1        3.550  -1.109   1.247  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.008  -0.790   2.526  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.105   0.538   2.916  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        3.754   1.548   2.024  0.00  0.00    +0.004 A 
BRANCH  20  27
ATOM     26  C   LIG    1        1.495   2.841  -0.002  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1        2.939   2.400  -0.183  0.00  0.00    +0.032 C 
ENDBRANCH  20  27
ENDBRANCH  19  21
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH   2  28
ATOM     28  S   LIG    1       -0.928  -1.133  -3.208  0.00  0.00    -0.005 S 
ATOM     29  O   LIG    1       -1.962  -0.220  -3.671  0.00  0.00    -0.170 OA
ATOM     30  O   LIG    1        0.449  -0.887  -3.587  0.00  0.00    -0.170 OA
ATOM     31  C   LIG    1       -1.412  -2.758  -3.721  0.00  0.00    +0.200 C 
ENDBRANCH   2  28
TORSDOF 7