REMARK  Name = BDB056992
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.318   2.616   2.106  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.079   3.112   0.840  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.799   2.830   0.402  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.425   2.629   2.639  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -1.832   0.536   0.965  0.00  0.00    +0.236 C 
ATOM      6  N   LIG    1       -1.181   0.677   2.171  0.00  0.00    -0.286 N 
ATOM      7  C   LIG    1       -0.934   1.998   2.761  0.00  0.00    +0.164 C 
ATOM      8  C   LIG    1       -0.743   1.714   4.249  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -0.130   0.316   4.269  0.00  0.00    +0.134 C 
ATOM     10  C   LIG    1       -0.854  -0.383   3.116  0.00  0.00    +0.140 C 
ATOM     11  O   LIG    1       -2.169   1.528   0.304  0.00  0.00    -0.274 OA
BRANCH   5  12
ATOM     12  C   LIG    1       -2.068  -0.890   0.429  0.00  0.00    +0.156 C 
ATOM     13  C   LIG    1       -0.810  -1.415  -0.251  0.00  0.00    +0.038 C 
BRANCH  12  16
ATOM     14  C   LIG    1       -5.071  -1.681  -1.766  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1       -3.972  -1.928  -0.769  0.00  0.00    +0.211 C 
ATOM     16  N   LIG    1       -3.175  -0.841  -0.519  0.00  0.00    -0.304 N 
ATOM     17  H   LIG    1       -3.373   0.058  -0.950  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1       -3.810  -3.019  -0.233  0.00  0.00    -0.276 OA
ENDBRANCH  12  16
ENDBRANCH   5  12
BRANCH   9  19
ATOM     19  O   LIG    1       -0.374  -0.308   5.517  0.00  0.00    -0.390 OA
ATOM     20  H   LIG    1        0.154  -1.125   5.551  0.00  0.00    +0.210 HD
ENDBRANCH   9  19
ENDBRANCH   1   7
BRANCH   2  21
ATOM     21  C   LIG    1        1.152   3.509  -0.037  0.00  0.00    +0.139 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.571   2.359  -0.917  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1        2.668   1.563  -0.572  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        3.043   0.480  -1.374  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        2.316   0.154  -2.527  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1        1.211   0.948  -2.863  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        0.840   2.038  -2.067  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        2.702  -1.001  -3.345  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        2.996  -2.311  -2.979  0.00  0.00    +0.053 A 
ATOM     30  C   LIG    1        2.949  -2.901  -1.614  0.00  0.00    +0.067 C 
ATOM     31  N   LIG    1        3.359  -3.148  -4.027  0.00  0.00    -0.252 NA
ATOM     32  C   LIG    1        3.306  -2.490  -5.159  0.00  0.00    +0.156 A 
ATOM     33  S   LIG    1        2.869  -0.840  -5.051  0.00  0.00    -0.075 S 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 7