REMARK  Name = BDB052374
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.580  -0.330  -0.846  0.00  0.00    -0.024 A 
ATOM      2  C   LIG    1       -1.948  -0.484   0.403  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -0.716   0.115   0.683  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -0.092   0.876  -0.302  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.703   1.041  -1.547  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.936   0.446  -1.818  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -3.932  -0.999  -1.065  0.00  0.00    +0.107 C 
ATOM      8  C   LIG    1       -4.298  -1.255  -2.534  0.00  0.00    +0.033 C 
BRANCH   7  10
ATOM      9  C   LIG    1       -5.996  -1.040   0.268  0.00  0.00    +0.404 C 
ATOM     10  N   LIG    1       -5.032  -0.296  -0.389  0.00  0.00    -0.250 N 
ATOM     11  O   LIG    1       -5.996  -2.264   0.330  0.00  0.00    -0.226 OA
BRANCH   9  13
ATOM     12  C   LIG    1       -7.962  -0.991   1.542  0.00  0.00    +0.282 C 
ATOM     13  O   LIG    1       -6.959  -0.261   0.834  0.00  0.00    -0.454 OA
ENDBRANCH   9  13
BRANCH  10  14
ATOM     14  C   LIG    1       -5.147   1.163  -0.505  0.00  0.00    +0.232 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.634   1.947   0.697  0.00  0.00    +0.322 C 
ATOM     16  O   LIG    1       -4.537   3.165   0.748  0.00  0.00    -0.249 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -4.318   1.205   1.777  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1       -4.001   1.858   2.434  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  O   LIG    1       -0.238  -0.133   1.940  0.00  0.00    -0.486 OA
BRANCH  19  20
ATOM     20  C   LIG    1        0.967   0.527   2.351  0.00  0.00    +0.287 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.206  -0.133   1.858  0.00  0.00    +0.117 A 
ATOM     22  N   LIG    1        3.284   0.601   1.409  0.00  0.00    -0.211 NA
ATOM     23  C   LIG    1        4.173  -0.311   1.056  0.00  0.00    +0.227 A 
ATOM     24  O   LIG    1        3.750  -1.602   1.248  0.00  0.00    -0.443 OA
ATOM     25  C   LIG    1        2.496  -1.473   1.758  0.00  0.00    +0.224 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.513  -0.129   0.503  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        6.331  -1.216   0.165  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        7.611  -1.012  -0.364  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        8.102   0.283  -0.555  0.00  0.00    -0.050 A 
ATOM     30  C   LIG    1        9.460   0.502  -1.153  0.00  0.00    +0.044 C 
ATOM     31  C   LIG    1        7.285   1.372  -0.234  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        6.007   1.167   0.295  0.00  0.00    +0.013 A 
ENDBRANCH  23  26
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 10