REMARK  Name = BDB046907
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.532  -1.239  -1.150  0.00  0.00    -0.008 A 
ATOM      2  C   LIG    1       -2.402  -0.322  -1.697  0.00  0.00    +0.120 A 
ATOM      3  N   LIG    1       -3.407  -0.078  -0.770  0.00  0.00    -0.220 N 
ATOM      4  N   LIG    1       -3.197  -0.812   0.353  0.00  0.00    -0.173 NA
ATOM      5  C   LIG    1       -2.084  -1.503   0.116  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.506   0.825  -0.974  0.00  0.00    +0.180 A 
ATOM      7  C   LIG    1       -5.493   1.031   0.002  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -6.503   1.943  -0.341  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1       -7.570   2.205   0.643  0.00  0.00    +0.259 A 
ATOM     10  N   LIG    1       -7.476   1.521   1.823  0.00  0.00    -0.313 N 
ATOM     11  H   LIG    1       -8.201   1.692   2.506  0.00  0.00    +0.170 HD
ATOM     12  C   LIG    1       -6.464   0.650   2.083  0.00  0.00    +0.200 A 
ATOM     13  O   LIG    1       -8.484   2.989   0.417  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -6.531   2.604  -1.568  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -5.519   2.333  -2.455  0.00  0.00    +0.114 A 
ATOM     16  N   LIG    1       -5.513   0.390   1.259  0.00  0.00    -0.233 NA
ATOM     17  N   LIG    1       -4.519   1.471  -2.190  0.00  0.00    -0.234 NA
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -0.296  -1.816  -1.754  0.00  0.00    +0.053 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.973  -1.082  -1.286  0.00  0.00    +0.089 C 
BRANCH  19  21
ATOM     20  C   LIG    1        2.568  -2.903  -1.611  0.00  0.00    +0.105 C 
ATOM     21  N   LIG    1        2.198  -1.536  -1.967  0.00  0.00    -0.301 NA
BRANCH  21  22
ATOM     22  C   LIG    1        3.317  -0.589  -1.816  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.866  -0.392  -0.416  0.00  0.00    -0.033 A 
ATOM     24  C   LIG    1        3.323   0.585   0.435  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1        3.822   0.762   1.726  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        4.882  -0.032   2.167  0.00  0.00    +0.088 A 
ATOM     27  C   LIG    1        5.431  -1.015   1.341  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        4.925  -1.187   0.051  0.00  0.00    +0.007 A 
BRANCH  26  29
ATOM     29  S   LIG    1        5.512   0.182   3.814  0.00  0.00    -0.006 S 
ATOM     30  O   LIG    1        6.164  -1.055   4.200  0.00  0.00    -0.170 OA
ATOM     31  O   LIG    1        4.447   0.745   4.622  0.00  0.00    -0.170 OA
ATOM     32  C   LIG    1        6.764   1.422   3.610  0.00  0.00    +0.200 C 
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7