REMARK  Name = BDB062632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.698   1.168   2.620  0.00  0.00    +0.076 S 
ATOM      2  O   LIG    1        0.124   0.172   3.498  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        1.714   2.074   3.126  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   6
ATOM      4  C   LIG    1        3.070   0.487  -0.592  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1        2.479   1.027   0.554  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1        1.370   0.402   1.155  0.00  0.00    +0.150 A 
ATOM      7  C   LIG    1        0.846  -0.784   0.624  0.00  0.00    +0.147 A 
ATOM      8  C   LIG    1        1.445  -1.319  -0.523  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        2.541  -0.691  -1.125  0.00  0.00    +0.007 A 
BRANCH   7  10
ATOM     10  O   LIG    1       -0.224  -1.352   1.250  0.00  0.00    -0.493 OA
ATOM     11  C   LIG    1       -0.877  -2.442   0.613  0.00  0.00    +0.277 C 
ENDBRANCH   7  10
BRANCH   4  12
ATOM     12  C   LIG    1        4.265   1.151  -1.230  0.00  0.00    +0.035 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.586   0.414  -0.985  0.00  0.00    +0.004 C 
BRANCH  13  15
ATOM     14  C   LIG    1        7.390  -0.207   0.662  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1        6.033   0.456   0.478  0.00  0.00    -0.003 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   4  12
ENDBRANCH   1   6
BRANCH   1  16
ATOM     16  N   LIG    1       -0.518   2.182   2.016  0.00  0.00    -0.216 N 
ATOM     17  H   LIG    1       -0.135   3.062   1.677  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.598   1.610   1.292  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -2.544   0.825   1.951  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1       -3.563   0.254   1.202  0.00  0.00    -0.023 A 
ATOM     21  C   LIG    1       -4.653  -0.637   1.698  0.00  0.00    +0.056 C 
ATOM     22  C   LIG    1       -5.471  -0.879   0.424  0.00  0.00    +0.118 C 
ATOM     23  N   LIG    1       -4.752  -0.247  -0.697  0.00  0.00    -0.271 N 
ATOM     24  C   LIG    1       -5.127  -0.292  -2.028  0.00  0.00    +0.217 C 
ATOM     25  O   LIG    1       -4.513   0.235  -2.955  0.00  0.00    -0.276 OA
ATOM     26  C   LIG    1       -6.388  -1.070  -2.316  0.00  0.00    +0.109 C 
ATOM     27  C   LIG    1       -3.643   0.444  -0.177  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1       -2.707   1.222  -0.838  0.00  0.00    +0.025 A 
ATOM     29  C   LIG    1       -1.678   1.812  -0.094  0.00  0.00    +0.026 A 
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 7