REMARK  Name = BDB059422
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.770   0.468  -0.991  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1        0.335   0.460  -1.868  0.00  0.00    -0.034 A 
ATOM      3  C   LIG    1        0.772   1.680  -2.418  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1        0.134   2.880  -2.101  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1       -0.963   2.873  -1.246  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -1.413   1.679  -0.689  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   1  15
ATOM      7  C   LIG    1       -3.140  -3.947  -0.020  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1       -2.309  -2.723   0.113  0.00  0.00    -0.019 A 
ATOM      9  C   LIG    1       -1.562  -2.339   1.215  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -0.939  -1.136   0.934  0.00  0.00    -0.310 N 
ATOM     11  C   LIG    1       -0.123  -0.508   1.874  0.00  0.00    +0.109 A 
ATOM     12  C   LIG    1        0.070  -1.076   3.072  0.00  0.00    +0.104 A 
ATOM     13  N   LIG    1       -0.538  -2.273   3.372  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -0.391  -2.708   4.274  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -1.269  -0.751  -0.355  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1       -1.363  -2.973   2.503  0.00  0.00    +0.273 A 
ATOM     17  O   LIG    1       -1.862  -4.042   2.844  0.00  0.00    -0.266 OA
ATOM     18  C   LIG    1       -2.121  -1.713  -0.870  0.00  0.00    +0.032 A 
ENDBRANCH   1  15
BRANCH   5  19
ATOM     19  N   LIG    1       -1.567   4.108  -0.865  0.00  0.00    -0.221 N 
ATOM     20  H   LIG    1       -2.582   4.066  -0.744  0.00  0.00    +0.173 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -0.904   4.889   0.488  0.00  0.00    +0.040 S 
ATOM     22  O   LIG    1       -0.017   3.998   1.202  0.00  0.00    -0.155 OA
ATOM     23  O   LIG    1       -2.023   5.528   1.148  0.00  0.00    -0.155 OA
ATOM     24  C   LIG    1        0.058   6.164  -0.294  0.00  0.00    +0.218 C 
ENDBRANCH  19  21
ENDBRANCH   5  19
BRANCH   2  25
ATOM     25  C   LIG    1        1.090  -0.810  -2.221  0.00  0.00    +0.071 C 
BRANCH  25  26
ATOM     26  C   LIG    1        1.978  -1.346  -1.119  0.00  0.00    -0.043 A 
ATOM     27  C   LIG    1        1.796  -2.651  -0.639  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        2.604  -3.154   0.382  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.611  -2.362   0.928  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        3.813  -1.068   0.452  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        3.003  -0.563  -0.568  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
ENDBRANCH   2  25
TORSDOF 5