REMARK  Name = BDB007653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.210  -1.074  -2.092  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.630  -0.338  -1.206  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.160   0.567  -0.533  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -0.163   0.951   0.346  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.060  -0.410  -0.790  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -2.713   0.649  -0.160  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -4.060   0.523   0.206  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -4.796  -0.648  -0.048  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -4.121  -1.694  -0.692  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -2.775  -1.578  -1.064  0.00  0.00    +0.015 A 
BRANCH   8  11
ATOM     11  N   LIG    1       -6.143  -0.721   0.342  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1       -6.989   0.334  -0.262  0.00  0.00    +0.128 C 
ATOM     13  C   LIG    1       -8.453   0.138   0.061  0.00  0.00    +0.184 C 
ATOM     14  S   LIG    1       -9.024  -1.372  -0.680  0.00  0.00    -0.028 S 
ATOM     15  O   LIG    1       -9.287  -1.109  -2.083  0.00  0.00    -0.174 OA
ATOM     16  O   LIG    1      -10.066  -1.910   0.176  0.00  0.00    -0.174 OA
ATOM     17  C   LIG    1       -7.623  -2.465  -0.582  0.00  0.00    +0.184 C 
ATOM     18  C   LIG    1       -6.753  -2.041   0.578  0.00  0.00    +0.128 C 
ENDBRANCH   8  11
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1        1.604   0.609  -0.717  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.133   2.027  -0.464  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.773   2.449   0.862  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        2.208   3.306   1.021  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        3.655   2.156  -0.728  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.526   1.134  -0.115  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        5.888   1.242  -0.682  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        6.916   0.353  -0.016  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        6.694  -0.170   1.269  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        7.677  -0.960   1.880  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        8.883  -1.212   1.228  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        9.114  -0.683  -0.039  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.375   0.065   1.954  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        8.137   0.098  -0.657  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        4.593   1.240   1.351  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 7