REMARK  Name = BDB052062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.012   0.855   0.537  0.00  0.00    +0.087 A 
ATOM      2  C   LIG    1       -1.068  -0.259   1.368  0.00  0.00    +0.048 A 
ATOM      3  S   LIG    1        0.270  -0.214   2.456  0.00  0.00    -0.060 S 
ATOM      4  C   LIG    1        0.786   1.256   1.757  0.00  0.00    +0.140 A 
ATOM      5  N   LIG    1        0.037   1.729   0.789  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1   9
ATOM      6  C   LIG    1       -3.786   1.855  -2.563  0.00  0.00    +0.120 A 
ATOM      7  C   LIG    1       -3.321   2.829  -1.681  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -2.412   2.488  -0.672  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.963   1.169  -0.524  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -2.418   0.199  -1.424  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1       -3.328   0.542  -2.430  0.00  0.00    +0.046 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -5.160   3.373  -3.769  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -4.671   2.050  -3.586  0.00  0.00    -0.495 OA
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  C   LIG    1       -2.041  -1.347   1.480  0.00  0.00    -0.009 A 
ATOM     15  C   LIG    1       -3.394  -1.064   1.715  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -4.338  -2.094   1.807  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -3.941  -3.423   1.667  0.00  0.00    +0.120 A 
ATOM     18  C   LIG    1       -2.594  -3.711   1.435  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -1.650  -2.684   1.341  0.00  0.00    +0.012 A 
BRANCH  17  20
ATOM     20  O   LIG    1       -4.756  -4.519   1.733  0.00  0.00    -0.495 OA
ATOM     21  C   LIG    1       -6.139  -4.278   1.964  0.00  0.00    +0.277 C 
ENDBRANCH  17  20
ENDBRANCH   2  14
BRANCH   4  22
ATOM     22  S   LIG    1        2.215   2.111   2.301  0.00  0.00    -0.063 S 
BRANCH  22  23
ATOM     23  C   LIG    1        3.312   1.609   0.987  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1        4.387   0.758   1.271  0.00  0.00    +0.019 A 
ATOM     25  C   LIG    1        5.281   0.349   0.263  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1        5.078   0.825  -1.041  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        4.014   1.682  -1.328  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        3.138   2.076  -0.318  0.00  0.00    +0.015 A 
BRANCH  25  29
ATOM     29  C   LIG    1        6.447  -0.557   0.644  0.00  0.00    +0.124 C 
ATOM     30  C   LIG    1        7.058  -1.348  -0.515  0.00  0.00    +0.024 C 
BRANCH  29  31
ATOM     31  C   LIG    1        7.577   0.152   1.384  0.00  0.00    +0.312 C 
ATOM     32  O   LIG    1        8.357  -0.441   2.120  0.00  0.00    -0.250 OA
BRANCH  31  33
ATOM     33  O   LIG    1        7.715   1.474   1.141  0.00  0.00    -0.480 OA
ATOM     34  H   LIG    1        7.039   1.856   0.549  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9