REMARK  Name = BDB007638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.420   1.022   0.187  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.794   0.861  -0.969  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.076   0.759  -2.037  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -0.270   0.347  -2.893  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.246   0.732  -1.280  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -3.109   0.305  -0.258  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -4.493   0.155  -0.460  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -4.979   0.475  -1.737  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.133   0.918  -2.761  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -2.767   1.050  -2.536  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -5.316  -0.281   0.590  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1       -6.767  -0.042   0.539  0.00  0.00    +0.128 C 
ATOM     13  C   LIG    1       -7.503  -1.288   0.104  0.00  0.00    +0.184 C 
ATOM     14  S   LIG    1       -7.325  -2.530   1.364  0.00  0.00    -0.028 S 
ATOM     15  O   LIG    1       -7.060  -3.797   0.709  0.00  0.00    -0.174 OA
ATOM     16  O   LIG    1       -8.446  -2.396   2.277  0.00  0.00    -0.174 OA
ATOM     17  C   LIG    1       -5.861  -2.055   2.250  0.00  0.00    +0.184 C 
ATOM     18  C   LIG    1       -4.839  -1.500   1.283  0.00  0.00    +0.128 C 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1        1.519   0.684  -1.819  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.120   2.031  -1.382  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.770   3.030  -2.357  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        0.796   3.000  -2.404  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        3.659   1.975  -1.277  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.197   0.913  -0.409  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        5.665   0.844  -0.561  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        6.334  -0.124   0.393  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        5.692  -0.529   1.576  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        6.344  -1.400   2.459  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.636  -1.846   2.184  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.283  -1.430   1.022  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.282  -0.079   1.857  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        7.638  -0.571   0.133  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        3.865   1.132   1.010  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 7