REMARK  Name = BDB031522
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.251  -2.121   1.373  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        0.641  -1.805   0.071  0.00  0.00    +0.129 C 
ATOM      3  C   LIG    1       -0.879  -1.944   0.290  0.00  0.00    +0.189 C 
ATOM      4  C   LIG    1       -1.001  -2.563   1.683  0.00  0.00    +0.061 C 
ATOM      5  C   LIG    1        0.377  -3.130   1.968  0.00  0.00    +0.088 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        2.641  -2.568   1.282  0.00  0.00    +0.121 C 
BRANCH   6  16
ATOM      7  C   LIG    1        6.979   1.517  -1.351  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        6.927   0.278  -2.196  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1        7.621   0.147  -3.200  0.00  0.00    -0.268 OA
ATOM     10  N   LIG    1        6.065  -0.712  -1.801  0.00  0.00    -0.321 N 
ATOM     11  H   LIG    1        6.047  -1.540  -2.381  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1        5.242  -0.607  -0.674  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1        5.277   0.547   0.106  0.00  0.00    +0.088 A 
ATOM     14  N   LIG    1        4.521   0.732   1.207  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1        3.689  -0.285   1.538  0.00  0.00    +0.116 A 
ATOM     16  C   LIG    1        3.579  -1.481   0.825  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1        4.383  -1.637  -0.311  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        6.181   1.627  -0.274  0.00  0.00    +0.038 A 
BRANCH   7  20
ATOM     19  C   LIG    1        9.363   2.311  -1.413  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1        7.917   2.609  -1.786  0.00  0.00    +0.037 C 
ENDBRANCH   7  20
ENDBRANCH   6  16
ENDBRANCH   1   6
BRANCH   3  21
ATOM     21  O   LIG    1       -1.483  -0.650   0.237  0.00  0.00    -0.486 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.835  -0.561   0.092  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1       -3.353   0.733   0.064  0.00  0.00    +0.157 A 
ATOM     24  N   LIG    1       -4.667   1.039  -0.070  0.00  0.00    -0.247 NA
ATOM     25  C   LIG    1       -5.513  -0.021  -0.180  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1       -5.099  -1.347  -0.163  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1       -3.736  -1.615  -0.024  0.00  0.00    +0.049 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -6.967   0.307  -0.321  0.00  0.00    +0.263 C 
ATOM     29  N   LIG    1       -7.244   1.659  -0.319  0.00  0.00    -0.303 N 
ATOM     30  H   LIG    1       -6.432   2.263  -0.205  0.00  0.00    +0.150 HD
ATOM     31  O   LIG    1       -7.823  -0.564  -0.420  0.00  0.00    -0.269 OA
BRANCH  29  32
ATOM     32  C   LIG    1       -8.615   2.188  -0.424  0.00  0.00    +0.124 C 
ATOM     33  C   LIG    1       -9.516   1.946   0.793  0.00  0.00    +0.184 C 
ATOM     34  O   LIG    1       -9.767   3.365   0.948  0.00  0.00    -0.376 OA
ATOM     35  C   LIG    1       -8.778   3.669  -0.064  0.00  0.00    +0.184 C 
ENDBRANCH  29  32
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 7