REMARK  Name = BDB014532
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.354   2.412   1.658  0.00  0.00    +0.254 C 
ATOM      2  N   LIG    1       -0.062   1.929   1.632  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.052   0.963   1.335  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.603   3.610   1.551  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -3.822   1.894   1.764  0.00  0.00    +0.062 C 
ATOM      6  C   LIG    1       -2.415   1.316   1.827  0.00  0.00    +0.256 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -2.238   0.410   0.722  0.00  0.00    -0.478 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -2.322  -0.920   1.028  0.00  0.00    +0.148 A 
ATOM      9  C   LIG    1       -3.145  -1.752   0.263  0.00  0.00    +0.146 A 
ATOM     10  C   LIG    1       -3.171  -3.134   0.500  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -2.369  -3.687   1.496  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -1.532  -2.865   2.247  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -1.501  -1.489   2.009  0.00  0.00    +0.048 A 
BRANCH   9  14
ATOM     14  S   LIG    1       -4.184  -1.119  -1.026  0.00  0.00    +0.059 S 
ATOM     15  O   LIG    1       -4.402  -2.176  -1.987  0.00  0.00    -0.153 OA
ATOM     16  O   LIG    1       -5.277  -0.414  -0.397  0.00  0.00    -0.153 OA
BRANCH  14  17
ATOM     17  N   LIG    1       -3.261   0.057  -1.808  0.00  0.00    -0.203 NA
ATOM     18  H   LIG    1       -2.357   0.181  -1.351  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1       -3.781   0.936  -1.765  0.00  0.00    +0.144 HD
ENDBRANCH  14  17
ENDBRANCH   9  14
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   2  20
ATOM     20  C   LIG    1        1.077   2.789   1.352  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.171   3.242  -0.121  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1        0.301   4.357  -0.364  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -0.464   4.283   0.249  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1        0.848   2.134  -1.154  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1        1.469   0.820  -0.893  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1        2.938   0.880  -1.059  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1        3.607  -0.473  -0.927  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1        2.882  -1.659  -1.136  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1        3.530  -2.898  -1.038  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        4.894  -2.959  -0.760  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.621  -1.785  -0.573  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        1.401  -1.599  -1.405  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1        4.982  -0.548  -0.659  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1        0.933  -0.197  -1.817  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 10