REMARK  Name = BDB018758
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -6.918   1.221   0.929  0.00  0.00    -0.268 N 
ATOM      2  C   LIG    1       -6.724  -0.247   1.117  0.00  0.00    +0.132 C 
ATOM      3  C   LIG    1       -5.510  -0.593   0.251  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1       -5.546  -2.046  -0.202  0.00  0.00    +0.225 C 
ATOM      5  O   LIG    1       -6.565  -2.731  -0.200  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -4.382  -2.544  -0.730  0.00  0.00    -0.285 N 
ATOM      7  H   LIG    1       -4.449  -3.458  -1.160  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -3.137  -1.922  -0.608  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -3.004  -0.796   0.207  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1       -1.746  -0.193   0.348  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -0.620  -0.694  -0.329  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1       -0.787  -1.831  -1.139  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -2.034  -2.447  -1.273  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1       -4.193  -0.307   0.992  0.00  0.00    +0.054 C 
ATOM     15  C   LIG    1       -5.726   0.339  -0.951  0.00  0.00    +0.037 C 
ATOM     16  C   LIG    1       -6.262   1.629  -0.340  0.00  0.00    +0.117 C 
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        0.697  -0.053  -0.186  0.00  0.00    -0.018 A 
ATOM     18  C   LIG    1        1.258   0.171   1.085  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        2.507   0.783   1.227  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1        3.211   1.173   0.087  0.00  0.00    +0.106 A 
ATOM     21  C   LIG    1        2.675   0.970  -1.186  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        1.427   0.358  -1.316  0.00  0.00    +0.010 A 
BRANCH  20  23
ATOM     23  S   LIG    1        4.795   1.958   0.240  0.00  0.00    +0.061 S 
ATOM     24  O   LIG    1        4.811   3.080  -0.674  0.00  0.00    -0.153 OA
ATOM     25  O   LIG    1        5.093   2.134   1.646  0.00  0.00    -0.153 OA
BRANCH  23  26
ATOM     26  N   LIG    1        5.863   0.770  -0.361  0.00  0.00    -0.172 NA
ATOM     27  C   LIG    1        7.262   1.276  -0.580  0.00  0.00    +0.137 C 
ATOM     28  C   LIG    1        8.208   0.769   0.511  0.00  0.00    +0.177 C 
ATOM     29  O   LIG    1        8.317  -0.662   0.539  0.00  0.00    -0.377 OA
ATOM     30  C   LIG    1        7.130  -1.329   0.091  0.00  0.00    +0.177 C 
ATOM     31  C   LIG    1        5.852  -0.535   0.382  0.00  0.00    +0.137 C 
ENDBRANCH  23  26
ENDBRANCH  20  23
ENDBRANCH  11  17
BRANCH   1  33
ATOM     32  N   LIG    1       -8.677   2.561   2.088  0.00  0.00    -0.174 NA
ATOM     33  C   LIG    1       -7.862   1.938   1.552  0.00  0.00    +0.169 C 
ENDBRANCH   1  33
TORSDOF 4