REMARK  Name = BDB060453
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.078   0.447   1.638  0.00  0.00    +0.253 C 
ATOM      2  C   LIG    1        0.410  -0.925   1.506  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.763  -0.622   0.587  0.00  0.00    +0.178 C 
ATOM      4  C   LIG    1       -1.185   0.764   1.072  0.00  0.00    +0.169 C 
ATOM      5  O   LIG    1        0.019   1.431   1.516  0.00  0.00    -0.346 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        5.267   0.137  -0.744  0.00  0.00    +0.147 A 
ATOM      7  C   LIG    1        3.981   0.632  -0.471  0.00  0.00    +0.147 A 
ATOM      8  N   LIG    1        3.201   1.596  -1.076  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1        2.090   1.625  -0.368  0.00  0.00    +0.203 A 
ATOM     10  N   LIG    1        2.103   0.706   0.646  0.00  0.00    -0.286 N 
ATOM     11  C   LIG    1        3.312   0.065   0.600  0.00  0.00    +0.167 A 
ATOM     12  N   LIG    1        3.751  -0.909   1.413  0.00  0.00    -0.216 NA
ATOM     13  C   LIG    1        4.988  -1.310   1.051  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1        5.753  -0.858   0.033  0.00  0.00    -0.219 NA
BRANCH   6  15
ATOM     15  N   LIG    1        6.058   0.606  -1.784  0.00  0.00    -0.341 N 
ATOM     16  H   LIG    1        5.531   1.080  -2.509  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        6.753  -0.070  -2.072  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1       -0.114  -1.406   2.764  0.00  0.00    -0.385 OA
ATOM     19  H   LIG    1       -0.356  -0.642   3.320  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1       -1.797  -1.593   0.719  0.00  0.00    -0.386 OA
ATOM     21  H   LIG    1       -1.644  -2.042   1.577  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  C   LIG    1       -1.897   1.628   0.023  0.00  0.00    +0.138 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.159   1.070  -0.417  0.00  0.00    -0.312 N 
ATOM     24  H   LIG    1       -3.918   1.032   0.266  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1       -3.226   0.204  -1.481  0.00  0.00    +0.224 C 
ATOM     26  O   LIG    1       -2.283   0.047  -2.257  0.00  0.00    -0.275 OA
BRANCH  25  27
ATOM     27  C   LIG    1       -4.536  -0.507  -1.721  0.00  0.00    +0.216 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.459  -0.669  -0.550  0.00  0.00    +0.314 C 
ATOM     29  O   LIG    1       -5.385  -0.046   0.501  0.00  0.00    -0.250 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -6.455  -1.558  -0.780  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1       -6.417  -1.993  -1.653  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9