REMARK  Name = BDB033740
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.539  -0.963   1.872  0.00  0.00    +0.110 A 
ATOM      2  C   LIG    1       -1.694  -0.361   0.632  0.00  0.00    +0.144 A 
ATOM      3  N   LIG    1       -0.618   0.100  -0.047  0.00  0.00    -0.198 NA
ATOM      4  C   LIG    1        0.610  -0.043   0.479  0.00  0.00    +0.221 A 
ATOM      5  N   LIG    1        0.831  -0.628   1.660  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -0.248  -1.069   2.335  0.00  0.00    +0.136 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1       -2.977  -0.202   0.051  0.00  0.00    -0.314 N 
ATOM      8  C   LIG    1       -3.049   0.979  -0.825  0.00  0.00    +0.106 C 
ATOM      9  C   LIG    1       -4.413   1.186  -1.488  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1       -5.623   0.787  -0.647  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1       -5.952  -0.701  -0.769  0.00  0.00    +0.002 C 
ATOM     12  C   LIG    1       -4.959  -1.639  -0.087  0.00  0.00    +0.019 C 
ATOM     13  C   LIG    1       -3.501  -1.456  -0.513  0.00  0.00    +0.106 C 
ENDBRANCH   2   7
BRANCH   1  15
ATOM     14  N   LIG    1       -3.449  -1.851   3.369  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1       -2.615  -1.433   2.678  0.00  0.00    +0.104 C 
ENDBRANCH   1  15
BRANCH   4  16
ATOM     16  N   LIG    1        1.646   0.452  -0.307  0.00  0.00    -0.284 N 
ATOM     17  H   LIG    1        1.252   0.856  -1.145  0.00  0.00    +0.155 HD
BRANCH  16  18
ATOM     18  C   LIG    1        3.025   0.591  -0.124  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        3.698   0.228   1.049  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        5.086   0.367   1.165  0.00  0.00    +0.030 A 
ATOM     21  C   LIG    1        5.821   0.861   0.088  0.00  0.00    +0.105 A 
ATOM     22  C   LIG    1        5.181   1.233  -1.092  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        3.794   1.091  -1.192  0.00  0.00    +0.025 A 
BRANCH  21  24
ATOM     24  S   LIG    1        7.578   1.032   0.242  0.00  0.00    +0.056 S 
ATOM     25  O   LIG    1        7.888   1.350   1.615  0.00  0.00    -0.153 OA
ATOM     26  O   LIG    1        8.063   1.817  -0.870  0.00  0.00    -0.153 OA
BRANCH  24  27
ATOM     27  N   LIG    1        8.097  -0.542  -0.060  0.00  0.00    -0.204 NA
ATOM     28  H   LIG    1        8.650  -0.548  -0.918  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        7.334  -1.218  -0.093  0.00  0.00    +0.144 HD
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 6