REMARK  Name = BDB033727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.362  -1.074  -1.129  0.00  0.00    +0.237 A 
ATOM      2  C   LIG    1       -1.039  -1.808  -2.244  0.00  0.00    +0.131 A 
ATOM      3  C   LIG    1        0.306  -1.975  -2.454  0.00  0.00    +0.138 A 
ATOM      4  N   LIG    1        1.256  -1.465  -1.641  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1        0.844  -0.756  -0.584  0.00  0.00    +0.219 A 
ATOM      6  N   LIG    1       -0.444  -0.548  -0.289  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -2.004  -2.365  -3.128  0.00  0.00    +0.106 C 
ATOM      8  N   LIG    1       -2.759  -2.838  -3.872  0.00  0.00    -0.191 NA
ENDBRANCH   2   7
BRANCH   5   9
ATOM      9  N   LIG    1        1.752  -0.183   0.293  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        1.218   0.003   1.136  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.026  -0.884   0.477  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        3.589  -0.555   1.871  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1        4.582   0.598   1.814  0.00  0.00    +0.112 C 
ATOM     14  N   LIG    1        5.745   0.211   0.992  0.00  0.00    -0.167 NA
ATOM     15  C   LIG    1        5.458  -0.636  -0.188  0.00  0.00    +0.112 C 
ATOM     16  C   LIG    1        4.011  -0.486  -0.635  0.00  0.00    +0.039 C 
BRANCH  14  17
ATOM     17  S   LIG    1        7.016   1.291   0.880  0.00  0.00    +0.095 S 
ATOM     18  O   LIG    1        8.136   0.677   0.217  0.00  0.00    -0.141 OA
ATOM     19  O   LIG    1        7.143   2.014   2.120  0.00  0.00    -0.141 OA
BRANCH  17  20
ATOM     20  N   LIG    1        6.354   2.374  -0.202  0.00  0.00    -0.193 NA
ATOM     21  H   LIG    1        5.779   3.042   0.308  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1        7.117   2.850  -0.685  0.00  0.00    +0.145 HD
ENDBRANCH  17  20
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  23
ATOM     23  O   LIG    1       -2.703  -0.877  -0.860  0.00  0.00    -0.475 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -2.959  -0.062   0.288  0.00  0.00    +0.237 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -5.128  -1.284   0.704  0.00  0.00    +0.014 C 
ATOM     26  C   LIG    1       -4.481   0.095   0.471  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -5.133   0.806  -0.726  0.00  0.00    +0.010 C 
ATOM     28  C   LIG    1       -6.426   1.402  -0.177  0.00  0.00    +0.001 C 
ATOM     29  C   LIG    1       -6.216   1.570   1.328  0.00  0.00    +0.001 C 
ATOM     30  C   LIG    1       -4.808   1.058   1.622  0.00  0.00    +0.010 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 8