REMARK  Name = BDB033741
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.738   1.068   2.072  0.00  0.00    +0.110 A 
ATOM      2  C   LIG    1       -1.935   0.450   0.847  0.00  0.00    +0.144 A 
ATOM      3  N   LIG    1       -0.887  -0.023   0.137  0.00  0.00    -0.198 NA
ATOM      4  C   LIG    1        0.359   0.124   0.620  0.00  0.00    +0.221 A 
ATOM      5  N   LIG    1        0.621   0.730   1.784  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -0.432   1.181   2.490  0.00  0.00    +0.136 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -3.232   0.284   0.325  0.00  0.00    -0.312 N 
ATOM      8  C   LIG    1       -3.377  -0.882  -0.577  0.00  0.00    +0.137 C 
ATOM      9  C   LIG    1       -4.756  -0.891  -1.281  0.00  0.00    +0.132 C 
ATOM     10  C   LIG    1       -5.791  -0.076  -0.508  0.00  0.00    +0.034 C 
ATOM     11  C   LIG    1       -5.330   1.366  -0.279  0.00  0.00    +0.021 C 
ATOM     12  C   LIG    1       -3.806   1.516  -0.227  0.00  0.00    +0.107 C 
BRANCH   9  13
ATOM     13  O   LIG    1       -5.217  -2.233  -1.438  0.00  0.00    -0.390 OA
ATOM     14  H   LIG    1       -6.115  -2.197  -1.808  0.00  0.00    +0.210 HD
ENDBRANCH   9  13
ENDBRANCH   2   7
BRANCH   1  16
ATOM     15  N   LIG    1       -3.626   1.972   3.590  0.00  0.00    -0.191 NA
ATOM     16  C   LIG    1       -2.795   1.546   2.900  0.00  0.00    +0.104 C 
ENDBRANCH   1  16
BRANCH   4  17
ATOM     17  N   LIG    1        1.366  -0.389  -0.192  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        0.941  -0.822  -0.999  0.00  0.00    +0.155 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.750  -0.533  -0.052  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        3.466  -0.136   1.084  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        4.856  -0.281   1.158  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1        5.550  -0.815   0.073  0.00  0.00    +0.105 A 
ATOM     23  C   LIG    1        4.866  -1.222  -1.071  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1        3.477  -1.073  -1.128  0.00  0.00    +0.025 A 
BRANCH  22  25
ATOM     25  S   LIG    1        7.310  -1.003   0.153  0.00  0.00    +0.056 S 
ATOM     26  O   LIG    1        7.699  -2.067  -0.741  0.00  0.00    -0.153 OA
ATOM     27  O   LIG    1        7.715  -0.963   1.540  0.00  0.00    -0.153 OA
BRANCH  25  28
ATOM     28  N   LIG    1        7.832   0.453  -0.514  0.00  0.00    -0.204 NA
ATOM     29  H   LIG    1        7.077   0.999  -0.927  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        8.336   0.980   0.202  0.00  0.00    +0.144 HD
ENDBRANCH  25  28
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 7