REMARK  Name = BDB033758
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.990   2.258  -0.276  0.00  0.00    +0.096 A 
ATOM      2  C   LIG    1       -1.261   0.951   0.080  0.00  0.00    +0.093 A 
ATOM      3  N   LIG    1       -0.275   0.025   0.213  0.00  0.00    -0.213 NA
ATOM      4  C   LIG    1        0.993   0.391  -0.033  0.00  0.00    +0.220 A 
ATOM      5  N   LIG    1        1.330   1.637  -0.386  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1        0.337   2.543  -0.498  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.610   0.431   0.367  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.660   0.530  -0.568  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -4.959   0.043  -0.315  0.00  0.00    -0.044 A 
ATOM     10  C   LIG    1       -5.172  -0.569   0.931  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -4.148  -0.696   1.871  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.877  -0.203   1.589  0.00  0.00    +0.010 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -6.039   0.197  -1.372  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1       -7.484   0.420  -0.994  0.00  0.00    +0.009 C 
ATOM     15  C   LIG    1       -7.064  -0.888  -1.602  0.00  0.00    +0.009 C 
ENDBRANCH   9  13
ENDBRANCH   2   7
BRANCH   1  17
ATOM     16  N   LIG    1       -2.752   4.134  -0.501  0.00  0.00    -0.191 NA
ATOM     17  C   LIG    1       -1.972   3.282  -0.389  0.00  0.00    +0.103 C 
ENDBRANCH   1  17
BRANCH   4  18
ATOM     18  N   LIG    1        1.935  -0.620   0.117  0.00  0.00    -0.284 N 
ATOM     19  H   LIG    1        1.456  -1.477   0.358  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.314  -0.707  -0.100  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        4.099   0.355  -0.565  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        5.481   0.217  -0.743  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        6.096  -0.996  -0.437  0.00  0.00    +0.105 A 
ATOM     24  C   LIG    1        5.341  -2.073   0.024  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        3.962  -1.920   0.195  0.00  0.00    +0.025 A 
BRANCH  23  26
ATOM     26  S   LIG    1        7.843  -1.184  -0.659  0.00  0.00    +0.056 S 
ATOM     27  O   LIG    1        8.128  -2.580  -0.889  0.00  0.00    -0.153 OA
ATOM     28  O   LIG    1        8.312  -0.138  -1.539  0.00  0.00    -0.153 OA
BRANCH  26  29
ATOM     29  N   LIG    1        8.420  -0.783   0.872  0.00  0.00    -0.204 NA
ATOM     30  H   LIG    1        7.681  -0.686   1.567  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1        8.986   0.065   0.797  0.00  0.00    +0.144 HD
ENDBRANCH  26  29
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   4  18
TORSDOF 7