REMARK  Name = BDB033750
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.006   0.910  -3.033  0.00  0.00    +0.110 A 
ATOM      2  C   LIG    1       -0.581   0.405  -1.876  0.00  0.00    +0.144 A 
ATOM      3  N   LIG    1        0.195   0.105  -0.807  0.00  0.00    -0.198 NA
ATOM      4  C   LIG    1        1.527   0.263  -0.882  0.00  0.00    +0.221 A 
ATOM      5  N   LIG    1        2.143   0.723  -1.975  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1        1.364   1.044  -3.024  0.00  0.00    +0.136 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -1.966   0.218  -1.746  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -2.453   0.127  -0.356  0.00  0.00    +0.114 C 
ATOM      9  C   LIG    1       -3.994   0.089  -0.348  0.00  0.00    +0.036 C 
ATOM     10  C   LIG    1       -4.531  -1.117  -1.145  0.00  0.00    +0.011 C 
ATOM     11  C   LIG    1       -3.473  -1.738  -2.055  0.00  0.00    +0.020 C 
ATOM     12  C   LIG    1       -2.598  -0.683  -2.728  0.00  0.00    +0.106 C 
BRANCH   9  13
ATOM     13  C   LIG    1       -4.565   0.140   1.059  0.00  0.00    -0.043 A 
ATOM     14  C   LIG    1       -4.263  -0.846   2.011  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -4.795  -0.779   3.300  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.635   0.274   3.655  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.945   1.259   2.720  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.415   1.193   1.430  0.00  0.00    +0.004 A 
ENDBRANCH   9  13
ENDBRANCH   2   7
BRANCH   1  20
ATOM     19  N   LIG    1       -1.309   1.655  -5.138  0.00  0.00    -0.191 NA
ATOM     20  C   LIG    1       -0.742   1.327  -4.179  0.00  0.00    +0.104 C 
ENDBRANCH   1  20
BRANCH   4  21
ATOM     21  N   LIG    1        2.223  -0.080   0.272  0.00  0.00    -0.284 N 
ATOM     22  H   LIG    1        1.562  -0.395   0.968  0.00  0.00    +0.155 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.579  -0.137   0.612  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1        3.923  -0.471   1.934  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        5.257  -0.528   2.352  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1        6.269  -0.236   1.440  0.00  0.00    +0.105 A 
ATOM     27  C   LIG    1        5.959   0.090   0.121  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        4.620   0.145  -0.282  0.00  0.00    +0.025 A 
BRANCH  26  29
ATOM     29  S   LIG    1        7.967  -0.301   1.943  0.00  0.00    +0.056 S 
ATOM     30  O   LIG    1        8.039  -0.936   3.239  0.00  0.00    -0.153 OA
ATOM     31  O   LIG    1        8.761  -0.734   0.819  0.00  0.00    -0.153 OA
BRANCH  29  32
ATOM     32  N   LIG    1        8.297   1.327   2.221  0.00  0.00    -0.204 NA
ATOM     33  H   LIG    1        8.502   1.457   3.213  0.00  0.00    +0.144 HD
ATOM     34  H   LIG    1        7.556   1.949   1.900  0.00  0.00    +0.144 HD
ENDBRANCH  29  32
ENDBRANCH  26  29
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 7