REMARK  Name = BDB007493
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.846   0.085   1.510  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -1.320   0.960   0.794  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1       -0.534   1.855   0.102  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1       -0.952   2.427  -0.621  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.790   1.057   0.580  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -3.563  -0.103   0.737  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -4.956  -0.104   0.543  0.00  0.00    +0.031 A 
ATOM      8  C   LIG    1       -5.546   1.121   0.199  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -4.790   2.291   0.059  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -3.412   2.263   0.252  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -5.676  -1.291   0.706  0.00  0.00    -0.325 N 
ATOM     12  C   LIG    1       -7.143  -1.281   0.875  0.00  0.00    +0.133 C 
ATOM     13  C   LIG    1       -7.827  -1.780  -0.406  0.00  0.00    +0.178 C 
ATOM     14  O   LIG    1       -7.468  -3.126  -0.763  0.00  0.00    -0.377 OA
ATOM     15  C   LIG    1       -6.221  -3.553  -0.191  0.00  0.00    +0.178 C 
ATOM     16  C   LIG    1       -5.175  -2.429  -0.108  0.00  0.00    +0.133 C 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1        0.923   1.860   0.208  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.578   0.635  -0.463  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.523  -0.529   0.372  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        0.678  -0.482   0.874  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        3.043   0.911  -0.884  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.902   1.561   0.130  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        5.212   1.936  -0.442  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        6.191   0.795  -0.619  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.067  -0.387   0.133  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.006  -1.415  -0.027  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.076  -1.262  -0.909  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        8.213  -0.084  -1.640  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.894  -0.577   1.064  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        7.278   0.941  -1.494  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        4.136   0.733   1.329  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 7