REMARK  Name = BDB053627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.954  -0.180   0.477  0.00  0.00    -0.282 N 
ATOM      2  H   LIG    1       -0.539  -0.628   1.281  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.046   0.104  -0.451  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        1.280  -0.264  -0.065  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1        2.229   0.017  -0.973  0.00  0.00    +0.164 A 
ATOM      6  C   LIG    1        2.036   0.623  -2.198  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1        3.318   0.701  -2.770  0.00  0.00    +0.146 A 
ATOM      8  N   LIG    1        4.266   0.189  -1.978  0.00  0.00    -0.177 NA
ATOM      9  C   LIG    1        0.734   0.968  -2.514  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1        3.575  -0.233  -0.888  0.00  0.00    -0.243 N 
ATOM     11  N   LIG    1       -0.253   0.701  -1.624  0.00  0.00    -0.222 NA
BRANCH  10  12
ATOM     12  C   LIG    1        4.272  -0.881   0.228  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        5.072   0.160   1.023  0.00  0.00    +0.027 C 
ATOM     14  C   LIG    1        5.993  -0.427   2.090  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1        7.377  -0.778   1.549  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1        7.423  -2.001   0.638  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1        6.509  -1.935  -0.584  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1        5.034  -2.136  -0.236  0.00  0.00    +0.027 C 
ENDBRANCH  10  12
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1       -5.086   0.319   0.548  0.00  0.00    +0.140 A 
ATOM     20  N   LIG    1       -4.434   0.715  -0.560  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1       -3.081   0.545  -0.563  0.00  0.00    +0.136 A 
ATOM     22  C   LIG    1       -2.338  -0.010   0.478  0.00  0.00    +0.052 A 
ATOM     23  C   LIG    1       -3.071  -0.402   1.604  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -4.455  -0.235   1.647  0.00  0.00    +0.047 A 
BRANCH  19  25
ATOM     25  N   LIG    1       -6.487   0.576   0.558  0.00  0.00    -0.188 N 
BRANCH  25  27
ATOM     26  C   LIG    1       -6.290   3.302   0.528  0.00  0.00    +0.218 C 
ATOM     27  S   LIG    1       -6.927   1.935   1.484  0.00  0.00    +0.044 S 
ATOM     28  O   LIG    1       -8.374   2.032   1.466  0.00  0.00    -0.155 OA
ATOM     29  O   LIG    1       -6.221   1.905   2.749  0.00  0.00    -0.155 OA
ENDBRANCH  25  27
BRANCH  25  30
ATOM     30  C   LIG    1       -7.245   0.402  -0.720  0.00  0.00    +0.160 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -7.048  -0.994  -1.330  0.00  0.00    +0.176 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -5.945  -1.031  -2.233  0.00  0.00    -0.393 OA
ATOM     33  H   LIG    1       -5.222  -0.507  -1.830  0.00  0.00    +0.209 HD
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  25  30
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 8