REMARK  Name = BDB046795
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.947  -0.098   0.219  0.00  0.00    +0.092 A 
ATOM      2  C   LIG    1       -0.204   0.301   1.361  0.00  0.00    +0.153 A 
ATOM      3  C   LIG    1       -0.233   1.622   1.826  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -0.989   2.518   1.104  0.00  0.00    +0.073 A 
ATOM      5  N   LIG    1       -1.211   3.886   1.308  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1       -2.079   4.370   0.303  0.00  0.00    +0.330 A 
ATOM      7  N   LIG    1       -2.373   3.263  -0.523  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1       -3.234   3.280  -1.670  0.00  0.00    +0.154 C 
ATOM      9  O   LIG    1       -2.492   5.511   0.177  0.00  0.00    -0.246 OA
ATOM     10  C   LIG    1       -0.660   4.664   2.379  0.00  0.00    +0.154 C 
ATOM     11  C   LIG    1       -1.709   2.133  -0.030  0.00  0.00    +0.072 A 
ATOM     12  C   LIG    1       -1.709   0.834  -0.491  0.00  0.00    +0.056 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -1.015  -1.473  -0.187  0.00  0.00    -0.211 N 
ATOM     14  H   LIG    1       -0.138  -1.977  -0.061  0.00  0.00    +0.174 HD
BRANCH  13  15
ATOM     15  S   LIG    1       -2.236  -2.397   0.558  0.00  0.00    +0.091 S 
ATOM     16  O   LIG    1       -2.295  -2.068   1.968  0.00  0.00    -0.148 OA
ATOM     17  O   LIG    1       -2.051  -3.766   0.122  0.00  0.00    -0.148 OA
BRANCH  15  23
ATOM     18  C   LIG    1       -6.023  -0.539  -2.531  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1       -5.316  -1.169  -1.388  0.00  0.00    +0.109 A 
ATOM     20  N   LIG    1       -5.957  -1.672  -0.279  0.00  0.00    -0.336 N 
ATOM     21  C   LIG    1       -7.381  -1.674  -0.044  0.00  0.00    +0.150 C 
ATOM     22  C   LIG    1       -5.012  -2.174   0.569  0.00  0.00    +0.136 A 
ATOM     23  C   LIG    1       -3.805  -1.955  -0.063  0.00  0.00    +0.215 A 
ATOM     24  N   LIG    1       -4.011  -1.329  -1.283  0.00  0.00    -0.213 NA
ENDBRANCH  15  23
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   2  25
ATOM     25  O   LIG    1        0.513  -0.603   2.115  0.00  0.00    -0.454 OA
BRANCH  25  26
ATOM     26  C   LIG    1        1.651  -1.139   1.554  0.00  0.00    +0.132 A 
ATOM     27  C   LIG    1        2.478  -0.468   0.650  0.00  0.00    +0.091 A 
ATOM     28  C   LIG    1        3.615  -1.095   0.130  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        3.925  -2.394   0.535  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        3.108  -3.060   1.453  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        1.975  -2.431   1.966  0.00  0.00    +0.046 A 
BRANCH  28  32
ATOM     32  O   LIG    1        4.328  -0.327  -0.746  0.00  0.00    -0.492 OA
BRANCH  32  33
ATOM     33  C   LIG    1        5.454  -0.899  -1.413  0.00  0.00    +0.232 C 
BRANCH  33  34
ATOM     34  C   LIG    1        6.741  -0.747  -0.587  0.00  0.00    +0.020 C 
ATOM     35  C   LIG    1        7.913  -1.412  -1.305  0.00  0.00    +0.010 C 
ATOM     36  C   LIG    1        7.053   0.725  -0.308  0.00  0.00    +0.010 C 
ENDBRANCH  33  34
ENDBRANCH  32  33
ENDBRANCH  28  32
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 8