REMARK  Name = BDB028681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.100  -1.261  -0.135  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        1.263  -0.482  -0.372  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.603  -0.010   0.881  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.694   0.810   1.144  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.490   1.170   0.041  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        3.165   0.703  -1.250  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.707  -0.470   1.793  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        2.054  -0.130  -1.483  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.242  -1.251   1.155  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -0.592  -1.926  -1.134  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.276  -1.829  -2.097  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -1.954  -2.849  -0.914  0.00  0.00    +0.074 S 
ATOM     13  O   LIG    1       -1.713  -3.844   0.107  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -2.376  -3.252  -2.243  0.00  0.00    -0.150 OA
BRANCH  12  17
ATOM     15  C   LIG    1       -4.672   0.137  -0.781  0.00  0.00    +0.125 A 
ATOM     16  C   LIG    1       -3.711  -0.771  -1.224  0.00  0.00    +0.074 A 
ATOM     17  C   LIG    1       -3.155  -1.686  -0.328  0.00  0.00    +0.115 A 
ATOM     18  C   LIG    1       -3.567  -1.716   1.004  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -4.528  -0.809   1.452  0.00  0.00    +0.125 A 
ATOM     20  C   LIG    1       -5.077   0.118   0.559  0.00  0.00    +0.091 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -6.153   1.904  -1.375  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -5.132   0.988  -1.749  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
BRANCH  19  23
ATOM     23  O   LIG    1       -4.846  -0.933   2.777  0.00  0.00    -0.495 OA
ATOM     24  C   LIG    1       -5.800  -0.022   3.307  0.00  0.00    +0.277 C 
ENDBRANCH  19  23
ENDBRANCH  12  17
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  25
ATOM     25  O   LIG    1        1.668  -0.618  -2.703  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        2.550  -0.401  -3.799  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        4.695   2.061   0.250  0.00  0.00    +0.178 C 
BRANCH  27  28
ATOM     28  N   LIG    1        5.752   1.371   0.976  0.00  0.00    -0.267 N 
ATOM     29  N   LIG    1        5.933   1.609   2.292  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        6.970   0.831   2.614  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1        7.463   0.111   1.511  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1        6.660   0.487   0.461  0.00  0.00    +0.108 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8