REMARK  Name = BDB028523
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.114   2.211  -0.064  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.895   1.044   0.247  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.885   0.085   0.357  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1       -4.283   0.480   0.196  0.00  0.00    +0.119 C 
ATOM      5  C   LIG    1       -4.932  -0.251  -0.990  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1       -4.556  -1.751  -1.031  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -3.863  -2.209   0.252  0.00  0.00    +0.020 C 
ATOM      8  C   LIG    1       -2.635  -1.346   0.540  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -0.626   0.588   0.494  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -0.560  -0.138   1.194  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -6.434  -0.047  -0.948  0.00  0.00    +0.046 A 
ATOM     12  N   LIG    1       -7.120  -0.664   0.046  0.00  0.00    -0.260 NA
ATOM     13  C   LIG    1       -8.457  -0.473   0.093  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1       -9.155   0.313  -0.807  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -8.439   0.943  -1.817  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1       -7.061   0.764  -1.892  0.00  0.00    +0.023 A 
ENDBRANCH   5  11
BRANCH   9  17
ATOM     17  C   LIG    1        0.490   1.518   0.488  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.819   0.779   0.708  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.744   0.098   1.973  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        1.782   0.775   2.672  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        3.001   1.779   0.672  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        4.375   1.247   0.658  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        4.704   0.573  -0.609  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        6.109   0.006  -0.640  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.812  -0.245   0.553  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        8.098  -0.798   0.500  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.675  -1.125  -0.727  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.974  -0.896  -1.909  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.206   0.142   1.878  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        6.697  -0.336  -1.867  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        4.689   0.368   1.789  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 6