REMARK  Name = BDB028555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.585  -1.472  -2.755  0.00  0.00    -0.226 OA
ATOM      2  C   LIG    1       -0.700  -0.434  -2.115  0.00  0.00    +0.403 C 
ATOM      3  N   LIG    1       -1.908   0.191  -1.861  0.00  0.00    -0.267 N 
ATOM      4  C   LIG    1       -3.144  -0.401  -2.344  0.00  0.00    +0.112 C 
ATOM      5  C   LIG    1       -4.253  -0.283  -1.306  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1       -4.498   1.166  -0.843  0.00  0.00    +0.078 C 
ATOM      7  C   LIG    1       -3.360   2.111  -1.275  0.00  0.00    +0.032 C 
ATOM      8  C   LIG    1       -1.989   1.456  -1.139  0.00  0.00    +0.112 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -4.702   1.218   0.677  0.00  0.00    +0.219 C 
ATOM     10  N   LIG    1       -5.826   0.606   1.209  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1       -5.988   0.579   2.666  0.00  0.00    +0.136 C 
ATOM     12  C   LIG    1       -6.858  -0.602   3.103  0.00  0.00    +0.179 C 
ATOM     13  O   LIG    1       -8.165  -0.610   2.512  0.00  0.00    -0.377 OA
ATOM     14  C   LIG    1       -8.242   0.073   1.255  0.00  0.00    +0.179 C 
ATOM     15  C   LIG    1       -6.937   0.021   0.451  0.00  0.00    +0.136 C 
ATOM     16  O   LIG    1       -3.879   1.776   1.407  0.00  0.00    -0.275 OA
ENDBRANCH   6   9
BRANCH   2  17
ATOM     17  O   LIG    1        0.347   0.233  -1.562  0.00  0.00    -0.448 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.637  -0.357  -1.812  0.00  0.00    +0.266 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.707   0.537  -1.175  0.00  0.00    +0.166 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.766   1.779  -1.900  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1        3.324   2.387  -1.385  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        4.107  -0.115  -1.206  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.231  -1.394  -0.487  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        5.563  -1.997  -0.695  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        6.676  -1.379   0.125  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        6.396  -0.673   1.310  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        7.448  -0.142   2.070  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        8.770  -0.329   1.668  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        9.052  -1.043   0.506  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.968  -0.433   1.733  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        8.011  -1.568  -0.261  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        3.969  -1.307   0.960  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 7