REMARK  Name = BDB052115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.045  -0.268  -0.490  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.044  -0.174  -1.428  0.00  0.00    -0.291 N 
ATOM      3  C   LIG    1        0.236  -1.286  -2.336  0.00  0.00    +0.132 C 
ATOM      4  C   LIG    1        0.980  -0.633  -3.504  0.00  0.00    +0.031 C 
ATOM      5  C   LIG    1        1.679   0.562  -2.865  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        0.680   1.026  -1.816  0.00  0.00    +0.108 C 
ATOM      7  O   LIG    1       -1.763  -1.272  -0.415  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.089  -2.316  -1.627  0.00  0.00    +0.099 A 
ATOM      9  S   LIG    1        0.835  -3.991  -1.925  0.00  0.00    -0.078 S 
ATOM     10  C   LIG    1        2.073  -4.365  -0.802  0.00  0.00    +0.075 A 
ATOM     11  C   LIG    1        2.611  -3.206  -0.277  0.00  0.00    +0.080 A 
ATOM     12  N   LIG    1        2.058  -2.042  -0.773  0.00  0.00    -0.242 NA
BRANCH  11  13
ATOM     13  C   LIG    1        3.676  -3.128   0.747  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        4.401  -1.921   1.095  0.00  0.00    -0.002 A 
ATOM     15  C   LIG    1        5.335  -2.170   2.109  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        6.165  -1.154   2.629  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        6.061   0.140   2.120  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        5.152   0.423   1.114  0.00  0.00    +0.001 A 
ATOM     19  S   LIG    1        5.321  -3.818   2.602  0.00  0.00    -0.096 S 
ATOM     20  C   LIG    1        4.333  -0.588   0.602  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        4.091  -4.211   1.495  0.00  0.00    +0.056 A 
ENDBRANCH  11  13
ENDBRANCH   3   8
BRANCH   1  22
ATOM     22  C   LIG    1       -1.266   0.922   0.478  0.00  0.00    +0.164 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -3.322   1.959  -0.413  0.00  0.00    +0.230 C 
ATOM     24  N   LIG    1       -2.721   1.118   0.503  0.00  0.00    -0.302 N 
ATOM     25  H   LIG    1       -3.243   0.291   0.766  0.00  0.00    +0.150 HD
ATOM     26  O   LIG    1       -2.674   2.744  -1.108  0.00  0.00    -0.274 OA
BRANCH  23  27
ATOM     27  C   LIG    1       -4.875   1.920  -0.433  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1       -5.411   0.510  -0.663  0.00  0.00    +0.034 C 
BRANCH  27  30
ATOM     29  C   LIG    1       -6.563   3.513  -1.166  0.00  0.00    +0.101 C 
ATOM     30  N   LIG    1       -5.353   2.791  -1.531  0.00  0.00    -0.309 NA
ATOM     31  H   LIG    1       -4.607   3.465  -1.739  0.00  0.00    +0.122 HD
ENDBRANCH  27  30
ENDBRANCH  23  27
ENDBRANCH  22  24
BRANCH  22  32
ATOM     32  C   LIG    1       -0.682   0.678   1.906  0.00  0.00    -0.011 C 
ATOM     33  C   LIG    1       -0.983   1.907   2.792  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1       -1.272  -0.568   2.595  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1        0.849   0.513   1.842  0.00  0.00    +0.013 C 
ENDBRANCH  22  32
ENDBRANCH   1  22
TORSDOF 7