REMARK  Name = BDB033935
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.424   0.634   1.570  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1        3.052   2.034   2.814  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        1.888   1.307   2.787  0.00  0.00    -0.304 N 
ATOM      4  H   LIG    1        1.226   1.363   3.559  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1        3.817   2.090   1.857  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1        4.550   3.576   4.128  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1        3.290   2.728   4.139  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -0.086   0.375   1.769  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -0.792   0.079   0.627  0.00  0.00    -0.309 N 
ATOM     10  H   LIG    1       -0.263  -0.260  -0.175  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -0.610   0.441   2.883  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -2.199  -0.329   0.668  0.00  0.00    +0.090 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.870  -0.005  -0.680  0.00  0.00    +0.010 C 
ATOM     14  C   LIG    1       -4.360  -0.346  -0.739  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1       -4.902   0.481  -1.901  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1       -3.907   1.619  -2.119  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -2.877   1.491  -1.005  0.00  0.00    +0.005 C 
ENDBRANCH  12  13
BRANCH  12  18
ATOM     18  C   LIG    1       -2.307  -1.828   1.057  0.00  0.00    +0.100 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -1.667  -2.722   0.085  0.00  0.00    -0.328 NA
ATOM     20  H   LIG    1       -1.637  -3.665   0.469  0.00  0.00    +0.118 HD
ATOM     21  H   LIG    1       -0.689  -2.438  -0.034  0.00  0.00    +0.118 HD
ENDBRANCH  18  19
ENDBRANCH  12  18
ENDBRANCH   9  12
ENDBRANCH   1   8
BRANCH   1  22
ATOM     22  C   LIG    1        2.189  -0.675   1.333  0.00  0.00    +0.094 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.167  -1.074  -0.113  0.00  0.00    +0.082 A 
ATOM     24  S   LIG    1        3.603  -1.059  -1.051  0.00  0.00    -0.072 S 
ATOM     25  C   LIG    1        2.713  -1.580  -2.430  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1        1.372  -1.734  -2.072  0.00  0.00    +0.079 A 
ATOM     27  C   LIG    1        0.450  -2.158  -3.050  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        0.890  -2.412  -4.354  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        2.231  -2.250  -4.683  0.00  0.00    +0.042 A 
ATOM     30 CL   LIG    1        2.751  -2.568  -6.294  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        3.168  -1.835  -3.734  0.00  0.00    +0.037 A 
ATOM     32  N   LIG    1        1.075  -1.440  -0.750  0.00  0.00    -0.244 NA
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 9