REMARK  Name = BDB015645
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.557  -1.315   0.310  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1       -0.263  -1.642   0.335  0.00  0.00    -0.211 NA
ATOM      3  C   LIG    1        0.602  -0.637   0.104  0.00  0.00    +0.166 A 
ATOM      4  N   LIG    1        0.229   0.631  -0.138  0.00  0.00    -0.227 NA
ATOM      5  C   LIG    1       -1.092   0.901  -0.175  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -2.046  -0.066   0.034  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.477   2.300  -0.474  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.785   2.970  -1.417  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.080   4.280  -1.763  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.284   4.917  -2.799  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.111   4.996  -1.160  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -2.426   6.151  -1.431  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.866   4.269  -0.106  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.554   3.004   0.204  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   3  15
ATOM     15  C   LIG    1        2.040  -0.956   0.178  0.00  0.00    +0.061 A 
ATOM     16  C   LIG    1        3.031  -0.280  -0.559  0.00  0.00    +0.131 A 
ATOM     17  C   LIG    1        4.384  -0.648  -0.478  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1        4.797  -1.669   0.382  0.00  0.00    -0.047 A 
ATOM     19  C   LIG    1        6.239  -2.074   0.447  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        3.833  -2.347   1.128  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        2.482  -1.996   1.025  0.00  0.00    +0.015 A 
BRANCH  16  22
ATOM     22  O   LIG    1        2.692   0.701  -1.461  0.00  0.00    -0.494 OA
ATOM     23  C   LIG    1        3.071   1.987  -0.963  0.00  0.00    +0.277 C 
ENDBRANCH  16  22
ENDBRANCH   3  15
BRANCH   1  24
ATOM     24  N   LIG    1       -2.384  -2.447   0.522  0.00  0.00    -0.204 N 
ATOM     25  H   LIG    1       -1.747  -3.246   0.585  0.00  0.00    +0.175 HD
BRANCH  24  26
ATOM     26  S   LIG    1       -3.318  -2.398   1.930  0.00  0.00    +0.044 S 
ATOM     27  O   LIG    1       -2.516  -2.967   2.990  0.00  0.00    -0.155 OA
ATOM     28  O   LIG    1       -3.923  -1.089   2.062  0.00  0.00    -0.155 OA
BRANCH  26  30
ATOM     29  C   LIG    1       -4.127  -4.951   1.252  0.00  0.00    +0.030 C 
ATOM     30  C   LIG    1       -4.625  -3.546   1.519  0.00  0.00    +0.185 C 
ENDBRANCH  26  30
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 6