REMARK  Name = BDB033682
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.448  -1.539   2.177  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.686  -0.370   1.495  0.00  0.00    +0.237 A 
ATOM      3  N   LIG    1       -0.735   0.293   0.801  0.00  0.00    -0.178 NA
ATOM      4  C   LIG    1        0.478  -0.269   0.714  0.00  0.00    +0.223 A 
ATOM      5  N   LIG    1        0.792  -1.425   1.316  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -0.174  -2.031   2.038  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1       -3.162  -2.746   3.683  0.00  0.00    -0.191 NA
ATOM      8  C   LIG    1       -2.398  -2.195   3.005  0.00  0.00    +0.106 C 
ENDBRANCH   1   8
BRANCH   4   9
ATOM      9  N   LIG    1        1.405   0.453  -0.032  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1        0.959   1.292  -0.375  0.00  0.00    +0.155 HD
BRANCH   9  11
ATOM     11  C   LIG    1        2.716   0.211  -0.452  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        3.397   1.233  -1.139  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        4.719   1.073  -1.567  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        5.382  -0.122  -1.297  0.00  0.00    +0.105 A 
ATOM     15  C   LIG    1        4.731  -1.155  -0.623  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        3.409  -0.979  -0.199  0.00  0.00    +0.025 A 
BRANCH  14  17
ATOM     17  S   LIG    1        7.057  -0.352  -1.828  0.00  0.00    +0.056 S 
ATOM     18  O   LIG    1        7.246  -1.744  -2.155  0.00  0.00    -0.153 OA
ATOM     19  O   LIG    1        7.401   0.717  -2.738  0.00  0.00    -0.153 OA
BRANCH  17  20
ATOM     20  N   LIG    1        7.907  -0.027  -0.411  0.00  0.00    -0.204 NA
ATOM     21  H   LIG    1        7.306   0.055   0.409  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        8.476   0.809  -0.552  0.00  0.00    +0.144 HD
ENDBRANCH  17  20
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   4   9
BRANCH   2  23
ATOM     23  O   LIG    1       -2.880   0.296   1.545  0.00  0.00    -0.470 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.967  -0.331   0.830  0.00  0.00    +0.203 C 
ATOM     25  C   LIG    1       -3.737  -0.509  -0.690  0.00  0.00    +0.155 C 
ATOM     26  C   LIG    1       -3.491   0.830  -1.386  0.00  0.00    +0.035 C 
ATOM     27  C   LIG    1       -4.653   1.790  -1.146  0.00  0.00    +0.003 C 
ATOM     28  C   LIG    1       -4.983   1.946   0.338  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -5.179   0.593   1.033  0.00  0.00    +0.047 C 
BRANCH  25  30
ATOM     30  O   LIG    1       -2.676  -1.429  -0.940  0.00  0.00    -0.388 OA
ATOM     31  H   LIG    1       -2.444  -1.367  -1.883  0.00  0.00    +0.210 HD
ENDBRANCH  25  30
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 8