REMARK  Name = BDB052367
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.577  -1.429  -0.718  0.00  0.00    -0.027 A 
ATOM      2  C   LIG    1       -2.231  -1.400  -0.322  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -1.293  -0.620  -1.006  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -1.703   0.138  -2.102  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -3.041   0.118  -2.506  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -3.973  -0.658  -1.818  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.588  -2.254   0.038  0.00  0.00    +0.147 C 
BRANCH   7   9
ATOM      8  C   LIG    1       -6.703  -1.136   0.564  0.00  0.00    +0.403 C 
ATOM      9  N   LIG    1       -5.415  -1.466   0.940  0.00  0.00    -0.252 N 
ATOM     10  O   LIG    1       -7.233  -1.511  -0.476  0.00  0.00    -0.226 OA
BRANCH   8  12
ATOM     11  C   LIG    1       -8.657   0.026   1.127  0.00  0.00    +0.282 C 
ATOM     12  O   LIG    1       -7.329  -0.355   1.487  0.00  0.00    -0.454 OA
ENDBRANCH   8  12
BRANCH   9  13
ATOM     13  C   LIG    1       -4.799  -0.911   2.148  0.00  0.00    +0.231 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.264   0.512   2.026  0.00  0.00    +0.322 C 
ATOM     15  O   LIG    1       -3.574   1.072   2.866  0.00  0.00    -0.249 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -4.652   1.181   0.923  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -4.211   2.052   0.996  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  O   LIG    1       -0.024  -0.690  -0.502  0.00  0.00    -0.486 OA
BRANCH  18  19
ATOM     19  C   LIG    1        0.974   0.115  -1.138  0.00  0.00    +0.287 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.302  -0.032  -0.479  0.00  0.00    +0.117 A 
ATOM     21  N   LIG    1        3.421   0.604  -0.979  0.00  0.00    -0.211 NA
ATOM     22  C   LIG    1        4.391   0.252  -0.154  0.00  0.00    +0.227 A 
ATOM     23  O   LIG    1        3.983  -0.574   0.863  0.00  0.00    -0.443 OA
ATOM     24  C   LIG    1        2.652  -0.746   0.643  0.00  0.00    +0.224 A 
BRANCH  22  25
ATOM     25  C   LIG    1        5.805   0.620  -0.180  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        6.716   0.141   0.772  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        8.065   0.509   0.722  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        8.528   1.374  -0.275  0.00  0.00    -0.050 A 
ATOM     29  C   LIG    1        9.980   1.742  -0.349  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1        7.628   1.844  -1.237  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        6.280   1.474  -1.185  0.00  0.00    +0.013 A 
ENDBRANCH  22  25
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 10