REMARK  Name = BDB026446
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.887  -1.646  -0.498  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1        1.629  -1.979  -1.011  0.00  0.00    +0.305 C 
ATOM      3  O   LIG    1        1.266  -1.864  -2.170  0.00  0.00    -0.252 OA
ATOM      4  N   LIG    1        0.863  -2.469   0.048  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1        1.551  -2.265   1.303  0.00  0.00    +0.128 C 
ATOM      6  C   LIG    1        3.003  -2.121   0.867  0.00  0.00    +0.128 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        4.030  -1.450  -1.365  0.00  0.00    +0.146 C 
BRANCH   7  11
ATOM      8  C   LIG    1        6.747   1.406   0.212  0.00  0.00    +0.106 A 
ATOM      9  N   LIG    1        5.525   1.825  -0.202  0.00  0.00    -0.252 NA
ATOM     10  C   LIG    1        4.695   0.880  -0.699  0.00  0.00    +0.116 A 
ATOM     11  C   LIG    1        5.020  -0.470  -0.806  0.00  0.00    -0.012 A 
ATOM     12  C   LIG    1        6.286  -0.867  -0.368  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        7.165   0.082   0.149  0.00  0.00    +0.031 A 
BRANCH   8  15
ATOM     14  C   LIG    1        7.164   3.864   0.791  0.00  0.00    +0.093 C 
ATOM     15  C   LIG    1        7.663   2.444   0.762  0.00  0.00    +0.178 C 
ATOM     16  O   LIG    1        8.781   2.139   1.175  0.00  0.00    -0.291 OA
ENDBRANCH   8  15
ENDBRANCH   7  11
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  C   LIG    1       -0.580  -2.640  -0.041  0.00  0.00    +0.142 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.357  -1.323   0.133  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -1.353  -0.953   1.518  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -1.771  -0.072   1.530  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -2.806  -1.486  -0.382  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.641  -0.290  -0.137  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -4.564  -0.061  -1.262  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -5.543   1.054  -0.986  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -6.201   1.050   0.254  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -7.170   2.012   0.540  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -7.471   2.993  -0.406  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.814   3.004  -1.638  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.836  -0.051   1.210  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -5.856   2.033  -1.933  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -4.317  -0.320   1.182  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 8