REMARK  Name = BDB007636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.272  -2.486  -1.602  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.450  -1.648  -0.784  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.007  -1.154  -0.022  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.210  -3.061  -2.572  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.817  -1.904  -0.347  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1        2.470  -1.682  -0.654  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1        1.702  -2.689  -1.251  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1        2.294  -3.917  -1.561  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        3.633  -4.144  -1.247  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        4.392  -3.142  -0.636  0.00  0.00    +0.046 A 
BRANCH   5  11
ATOM     11  O   LIG    1        4.444  -0.838   0.236  0.00  0.00    -0.487 OA
BRANCH  11  14
ATOM     12  N   LIG    1        6.210   0.809   2.083  0.00  0.00    -0.178 NA
ATOM     13  C   LIG    1        6.380   0.524   0.636  0.00  0.00    +0.153 C 
ATOM     14  C   LIG    1        5.860  -0.910   0.451  0.00  0.00    +0.190 C 
ATOM     15  C   LIG    1        6.170  -1.540   1.802  0.00  0.00    +0.063 C 
ATOM     16  C   LIG    1        5.814  -0.429   2.783  0.00  0.00    +0.113 C 
BRANCH  12  18
ATOM     17  C   LIG    1        3.839   2.138   1.998  0.00  0.00    +0.215 C 
ATOM     18  S   LIG    1        5.530   2.267   2.555  0.00  0.00    +0.029 S 
ATOM     19  O   LIG    1        6.169   3.314   1.786  0.00  0.00    -0.158 OA
ATOM     20  O   LIG    1        5.519   2.298   4.002  0.00  0.00    -0.158 OA
ENDBRANCH  12  18
ENDBRANCH  11  14
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  21
ATOM     21  C   LIG    1       -1.821  -1.272  -1.097  0.00  0.00    +0.137 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.871  -0.157  -2.153  0.00  0.00    +0.145 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -1.267   1.039  -1.630  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -1.225   1.675  -2.365  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -3.310   0.114  -2.658  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.350   0.307  -1.626  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -4.108   1.516  -0.812  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -5.260   1.897   0.098  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -6.552   1.385  -0.108  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -7.600   1.772   0.737  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -7.374   2.685   1.766  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -6.100   3.212   1.962  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.788   0.373  -1.198  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -5.048   2.822   1.132  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -5.679   0.392  -2.256  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 9