REMARK  Name = BDB063892
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.839   3.806  -0.605  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.727   2.632  -0.314  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1       -1.775   1.578  -0.250  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -3.057   1.836  -0.537  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -1.202   0.391   0.155  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        0.057   0.672   0.316  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1        0.390   1.953   0.047  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        1.287   2.389   0.150  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1       -4.178   0.884  -0.492  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -5.441   1.367  -0.112  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -6.533   0.480  -0.096  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -6.400  -0.862  -0.459  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1       -7.563  -1.614  -0.395  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1       -8.553  -0.853   0.011  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1       -5.134  -1.331  -0.854  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1       -8.174   0.785   0.335  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1       -4.040  -0.454  -0.872  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1        0.968  -0.247   0.726  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1        0.558  -1.177   0.778  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.398  -0.224   0.449  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1        2.650  -0.688  -0.992  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1        3.915  -0.073  -1.589  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1        5.233  -0.626  -1.050  0.00  0.00    +0.115 C 
ATOM     24  C   LIG    1        5.398  -0.562   0.469  0.00  0.00    +0.031 C 
ATOM     25  C   LIG    1        4.514  -1.561   1.205  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1        3.096  -1.086   1.511  0.00  0.00    +0.022 C 
BRANCH  23  27
ATOM     27  O   LIG    1        6.297   0.113  -1.653  0.00  0.00    -0.392 OA
ATOM     28  H   LIG    1        6.255   1.030  -1.334  0.00  0.00    +0.210 HD
ENDBRANCH  23  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4