REMARK  Name = BDB025162
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.739   0.298   0.242  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.636  -0.429  -0.247  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.965  -1.787  -0.719  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.274  -2.719   0.465  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.898  -2.383  -1.633  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.551  -2.360  -0.943  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.227  -0.956  -0.517  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.876  -0.552  -0.424  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.254  -1.283  -0.644  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.292  -0.482  -0.478  0.00  0.00    +0.116 A 
ATOM     11  N   LIG    1       -0.857   0.775  -0.078  0.00  0.00    -0.323 N 
ATOM     12  C   LIG    1        0.539   0.747  -0.092  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        1.521   1.713   0.132  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.862   1.303   0.056  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.249  -0.020  -0.211  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.906  -0.023   0.021  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.566   1.985   0.300  0.00  0.00    +0.111 C 
ATOM     18  C   LIG    1       -2.760   1.868   1.236  0.00  0.00    +0.191 C 
ATOM     19  S   LIG    1       -3.518   3.482   1.179  0.00  0.00    -0.029 S 
ATOM     20  O   LIG    1       -3.074   4.234   2.333  0.00  0.00    -0.174 OA
ATOM     21  O   LIG    1       -4.917   3.309   0.850  0.00  0.00    -0.174 OA
ATOM     22  C   LIG    1       -2.656   4.092  -0.263  0.00  0.00    +0.168 C 
ATOM     23  C   LIG    1       -1.979   2.875  -0.881  0.00  0.00    +0.049 C 
ENDBRANCH  11  17
BRANCH   1  25
ATOM     24  C   LIG    1        6.556   2.034   1.598  0.00  0.00    +0.282 C 
ATOM     25  O   LIG    1        5.428   1.348   1.052  0.00  0.00    -0.453 OA
ENDBRANCH   1  25
BRANCH  10  26
ATOM     26  C   LIG    1       -2.681  -1.034  -0.722  0.00  0.00    +0.073 C 
ATOM     27  C   LIG    1       -3.589  -0.152  -1.572  0.00  0.00    +0.017 C 
BRANCH  26  28
ATOM     28  C   LIG    1       -3.284  -1.600   0.573  0.00  0.00    +0.154 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -4.641  -2.088   0.428  0.00  0.00    -0.271 N 
ATOM     30  N   LIG    1       -4.881  -3.204  -0.283  0.00  0.00    -0.180 NA
ATOM     31  C   LIG    1       -6.206  -3.351  -0.206  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1       -6.813  -2.330   0.548  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1       -5.772  -1.525   0.947  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  10  26
TORSDOF 5