REMARK  Name = BDB056062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.877  -2.352  -1.915  0.00  0.00    +0.149 A 
ATOM      2  C   LIG    1        3.135  -1.739  -2.170  0.00  0.00    +0.081 A 
ATOM      3  C   LIG    1        3.748  -2.585  -3.059  0.00  0.00    +0.129 A 
ATOM      4  N   LIG    1        2.860  -3.600  -3.292  0.00  0.00    -0.282 N 
ATOM      5  H   LIG    1        2.981  -4.405  -3.899  0.00  0.00    +0.188 HD
ATOM      6  N   LIG    1        1.708  -3.485  -2.610  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -2.831  -0.904   1.650  0.00  0.00    -0.031 A 
ATOM      8  C   LIG    1       -2.396  -1.881   0.734  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1       -1.129  -1.705   0.170  0.00  0.00    +0.067 A 
ATOM     10  C   LIG    1       -0.297  -0.632   0.473  0.00  0.00    +0.090 A 
ATOM     11  N   LIG    1        0.886  -0.711  -0.223  0.00  0.00    -0.226 NA
ATOM     12  C   LIG    1        0.786  -1.809  -0.944  0.00  0.00    +0.161 A 
ATOM     13  C   LIG    1       -0.733   0.334   1.389  0.00  0.00    +0.030 A 
ATOM     14  N   LIG    1       -0.411  -2.439  -0.736  0.00  0.00    -0.337 N 
ATOM     15  H   LIG    1       -0.687  -3.298  -1.190  0.00  0.00    +0.167 HD
ATOM     16  C   LIG    1       -2.000   0.184   1.970  0.00  0.00    +0.007 A 
BRANCH   7  17
ATOM     17  C   LIG    1       -4.190  -1.042   2.316  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -5.053   0.140   2.135  0.00  0.00    -0.299 NA
BRANCH  18  20
ATOM     19  C   LIG    1       -7.186  -0.915   3.044  0.00  0.00    +0.020 C 
ATOM     20  C   LIG    1       -6.126   0.179   3.139  0.00  0.00    +0.081 C 
ENDBRANCH  18  20
BRANCH  18  21
ATOM     21  C   LIG    1       -5.517   0.260   0.743  0.00  0.00    +0.081 C 
ATOM     22  C   LIG    1       -6.285   1.548   0.464  0.00  0.00    +0.020 C 
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   7  17
ENDBRANCH   1  12
BRANCH   2  23
ATOM     23  N   LIG    1        3.562  -0.592  -1.594  0.00  0.00    -0.296 N 
ATOM     24  H   LIG    1        2.955  -0.196  -0.864  0.00  0.00    +0.154 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.675   0.239  -1.710  0.00  0.00    +0.130 A 
ATOM     26  N   LIG    1        4.724   1.244  -0.820  0.00  0.00    -0.197 NA
ATOM     27  C   LIG    1        5.785   2.068  -0.893  0.00  0.00    +0.273 A 
ATOM     28  N   LIG    1        6.805   2.012  -1.757  0.00  0.00    -0.200 NA
ATOM     29  C   LIG    1        6.693   1.000  -2.622  0.00  0.00    +0.136 A 
ATOM     30 CL   LIG    1        7.979   0.905  -3.756  0.00  0.00    -0.062 Cl
ATOM     31  C   LIG    1        5.664   0.085  -2.654  0.00  0.00    +0.084 A 
BRANCH  27  32
ATOM     32  S   LIG    1        5.832   3.385   0.307  0.00  0.00    +0.029 S 
ATOM     33  O   LIG    1        6.025   2.796   1.622  0.00  0.00    -0.167 OA
ATOM     34  O   LIG    1        4.722   4.286   0.040  0.00  0.00    -0.167 OA
ATOM     35  C   LIG    1        7.315   4.277  -0.077  0.00  0.00    +0.204 C 
ENDBRANCH  27  32
ENDBRANCH  23  25
ENDBRANCH   2  23
TORSDOF 8