REMARK  Name = BDB037285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.255  -0.043  -0.752  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        1.021  -0.534  -0.402  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.335   0.127   0.771  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.532  -0.043   1.477  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.486  -0.946   0.951  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        3.175  -1.634  -0.224  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1        3.992  -2.583  -1.024  0.00  0.00    +0.080 C 
ATOM      8  C   LIG    1        2.911  -3.140  -1.951  0.00  0.00    +0.234 C 
ATOM      9  O   LIG    1        1.833  -2.183  -2.048  0.00  0.00    -0.491 OA
ATOM     10  O   LIG    1        0.303   0.948   1.103  0.00  0.00    -0.353 OA
ATOM     11  C   LIG    1        1.966  -1.432  -0.890  0.00  0.00    +0.138 A 
ATOM     12  N   LIG    1       -0.702   0.833   0.154  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -0.960  -0.457  -1.871  0.00  0.00    -0.196 N 
ATOM     14  H   LIG    1       -0.554  -1.150  -2.496  0.00  0.00    +0.175 HD
BRANCH  13  15
ATOM     15  S   LIG    1       -2.372   0.247  -2.417  0.00  0.00    +0.077 S 
ATOM     16  O   LIG    1       -2.133   1.669  -2.532  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -2.760  -0.536  -3.575  0.00  0.00    -0.150 OA
BRANCH  15  19
ATOM     18  C   LIG    1       -4.421   0.838  -0.638  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1       -3.549  -0.122  -1.144  0.00  0.00    +0.150 A 
ATOM     20  C   LIG    1       -3.590  -1.434  -0.646  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1       -4.492  -1.776   0.363  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -5.367  -0.816   0.881  0.00  0.00    -0.047 A 
ATOM     23  C   LIG    1       -6.374  -1.190   1.929  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -5.341   0.483   0.357  0.00  0.00    +0.051 A 
BRANCH  18  25
ATOM     25  O   LIG    1       -4.494   2.099  -1.162  0.00  0.00    -0.490 OA
BRANCH  25  27
ATOM     26  C   LIG    1       -3.863   4.396  -0.993  0.00  0.00    +0.048 C 
ATOM     27  C   LIG    1       -3.907   3.060  -0.275  0.00  0.00    +0.226 C 
ENDBRANCH  25  27
ENDBRANCH  18  25
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   5  28
ATOM     28  C   LIG    1        4.805  -1.129   1.663  0.00  0.00    +0.179 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.642   0.059   1.553  0.00  0.00    -0.267 N 
ATOM     30  N   LIG    1        5.732   0.919   2.589  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        6.571   1.859   2.148  0.00  0.00    +0.134 A 
ATOM     32  C   LIG    1        7.032   1.597   0.845  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        6.419   0.420   0.487  0.00  0.00    +0.108 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7