REMARK  Name = BDB037278
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.231   0.005  -3.047  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        1.131  -0.377  -2.015  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        2.368  -0.275  -2.622  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        3.580  -0.526  -1.992  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.540  -0.902  -0.633  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        2.292  -1.029   0.031  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        2.229  -1.424   1.489  0.00  0.00    +0.042 C 
ATOM      8  C   LIG    1        0.847  -1.202   2.082  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1       -0.183  -1.727   1.107  0.00  0.00    +0.229 C 
ATOM     10  O   LIG    1       -0.155  -0.989  -0.112  0.00  0.00    -0.491 OA
ATOM     11  O   LIG    1        2.213   0.086  -3.922  0.00  0.00    -0.353 OA
ATOM     12  C   LIG    1        1.080  -0.810  -0.675  0.00  0.00    +0.138 A 
ATOM     13  N   LIG    1        0.866   0.226  -4.204  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1       -1.161   0.097  -3.029  0.00  0.00    -0.196 N 
ATOM     15  H   LIG    1       -1.518   0.317  -3.960  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1       -1.917   1.165  -1.951  0.00  0.00    +0.077 S 
ATOM     17  O   LIG    1       -0.918   1.777  -1.100  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -2.787   1.960  -2.795  0.00  0.00    -0.150 OA
BRANCH  16  20
ATOM     19  C   LIG    1       -3.643   0.680   0.130  0.00  0.00    +0.147 A 
ATOM     20  C   LIG    1       -2.973   0.125  -0.969  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1       -3.129  -1.230  -1.292  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1       -3.952  -2.042  -0.512  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.635  -1.507   0.583  0.00  0.00    -0.047 A 
ATOM     24  C   LIG    1       -5.498  -2.385   1.442  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -4.467  -0.150   0.903  0.00  0.00    +0.051 A 
BRANCH  19  26
ATOM     26  O   LIG    1       -3.458   2.013   0.367  0.00  0.00    -0.490 OA
BRANCH  26  28
ATOM     27  C   LIG    1       -3.649   4.049   1.583  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1       -4.061   2.589   1.522  0.00  0.00    +0.226 C 
ENDBRANCH  26  28
ENDBRANCH  19  26
ENDBRANCH  16  20
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   5  29
ATOM     29  C   LIG    1        4.868  -1.168   0.052  0.00  0.00    +0.179 C 
BRANCH  29  30
ATOM     30  N   LIG    1        5.656   0.050   0.200  0.00  0.00    -0.267 N 
ATOM     31  N   LIG    1        6.775   0.221  -0.535  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1        7.234   1.411  -0.140  0.00  0.00    +0.134 A 
ATOM     33  C   LIG    1        6.429   1.994   0.855  0.00  0.00    +0.041 A 
ATOM     34  C   LIG    1        5.418   1.085   1.062  0.00  0.00    +0.108 A 
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 7