REMARK  Name = BDB063675
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.224   1.110   1.858  0.00  0.00    -0.020 A 
ATOM      2  C   LIG    1       -1.589   0.059   0.952  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1       -0.675  -0.988   1.107  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -0.768  -2.158   0.341  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.809  -2.258  -0.594  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -2.756  -1.242  -0.793  0.00  0.00    -0.044 A 
ATOM      7  N   LIG    1        0.204  -0.580   2.087  0.00  0.00    -0.218 N 
ATOM      8  C   LIG    1       -2.624  -0.085  -0.001  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -0.097   0.682   2.531  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -3.889  -1.336  -1.800  0.00  0.00    +0.019 C 
ATOM     11  C   LIG    1       -3.702  -2.026  -3.129  0.00  0.00    +0.009 C 
ATOM     12  C   LIG    1       -4.581  -2.647  -2.082  0.00  0.00    +0.009 C 
ENDBRANCH   6  10
BRANCH   7  13
ATOM     13  S   LIG    1        1.625  -1.410   2.534  0.00  0.00    +0.084 S 
ATOM     14  O   LIG    1        1.250  -2.806   2.649  0.00  0.00    -0.148 OA
ATOM     15  O   LIG    1        2.198  -0.672   3.643  0.00  0.00    -0.148 OA
BRANCH  13  16
ATOM     16  C   LIG    1        2.693  -1.204   1.135  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        3.123   0.078   0.780  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        3.963   0.246  -0.326  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        4.377  -0.862  -1.068  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        3.950  -2.140  -0.693  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        3.112  -2.319   0.409  0.00  0.00    +0.032 A 
BRANCH  19  22
ATOM     22  O   LIG    1        5.192  -0.835  -2.166  0.00  0.00    -0.495 OA
ATOM     23  C   LIG    1        5.665   0.438  -2.588  0.00  0.00    +0.277 C 
ENDBRANCH  19  22
ENDBRANCH  13  16
ENDBRANCH   7  13
BRANCH   1  24
ATOM     24  C   LIG    1       -1.917   2.425   2.036  0.00  0.00    +0.048 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.425   3.470   1.040  0.00  0.00    +0.125 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.133   4.778   1.241  0.00  0.00    +0.305 C 
ATOM     27  O   LIG    1       -3.040   5.019   2.018  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -1.655   5.739   0.425  0.00  0.00    -0.481 OA
ATOM     29  H   LIG    1       -2.192   6.530   0.644  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 8