REMARK  Name = BDB036467
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.181  -0.666  -1.355  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1        2.857  -0.130  -0.224  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        2.229   0.845   0.565  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        0.949   1.236   0.186  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1        0.264   0.731  -0.902  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1       -0.979   1.419  -0.870  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1       -1.034   2.277   0.152  0.00  0.00    -0.061 NA
ATOM      8  O   LIG    1        0.176   2.161   0.814  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1        0.885  -0.246  -1.702  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        2.318  -2.129  -3.244  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        2.901  -1.614  -2.053  0.00  0.00    -0.493 OA
ENDBRANCH   1  11
BRANCH   2  12
ATOM     12  N   LIG    1        4.161  -0.620   0.057  0.00  0.00    -0.295 N 
ATOM     13  H   LIG    1        4.421  -1.306  -0.648  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        5.048  -0.338   1.037  0.00  0.00    +0.145 A 
ATOM     15  N   LIG    1        4.913   0.513   2.057  0.00  0.00    -0.159 NA
ATOM     16  N   LIG    1        6.066   0.423   2.732  0.00  0.00    -0.283 N 
ATOM     17  H   LIG    1        6.182   0.998   3.560  0.00  0.00    +0.188 HD
ATOM     18  C   LIG    1        6.948  -0.460   2.189  0.00  0.00    +0.107 A 
ATOM     19  C   LIG    1        6.316  -0.973   1.083  0.00  0.00    +0.064 A 
ENDBRANCH  12  14
ENDBRANCH   2  12
BRANCH   6  20
ATOM     20  N   LIG    1       -2.009   1.210  -1.776  0.00  0.00    -0.196 N 
ATOM     21  H   LIG    1       -1.976   0.407  -2.396  0.00  0.00    +0.175 HD
BRANCH  20  22
ATOM     22  S   LIG    1       -3.553   1.818  -1.591  0.00  0.00    +0.077 S 
ATOM     23  O   LIG    1       -3.485   3.265  -1.611  0.00  0.00    -0.150 OA
ATOM     24  O   LIG    1       -4.386   1.120  -2.552  0.00  0.00    -0.150 OA
BRANCH  22  25
ATOM     25  C   LIG    1       -4.062   1.291   0.028  0.00  0.00    +0.150 A 
ATOM     26  C   LIG    1       -4.052  -0.070   0.372  0.00  0.00    +0.148 A 
ATOM     27  C   LIG    1       -4.464  -0.436   1.659  0.00  0.00    +0.067 A 
ATOM     28  C   LIG    1       -4.883   0.538   2.570  0.00  0.00    +0.045 A 
ATOM     29 CL   LIG    1       -5.386   0.066   4.147  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1       -4.895   1.885   2.220  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1       -4.483   2.266   0.945  0.00  0.00    +0.034 A 
BRANCH  26  32
ATOM     32  O   LIG    1       -3.602  -0.960  -0.567  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -3.872  -2.339  -0.341  0.00  0.00    +0.277 C 
ENDBRANCH  26  32
ENDBRANCH  22  25
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 7