REMARK  Name = BDB060607
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.248   0.118  -1.483  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        2.023  -1.356  -1.847  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        0.913  -1.775  -0.893  0.00  0.00    +0.177 C 
ATOM      4  C   LIG    1        0.123  -0.477  -0.745  0.00  0.00    +0.166 C 
ATOM      5  O   LIG    1        1.123   0.562  -0.693  0.00  0.00    -0.347 OA
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        5.939  -0.199   1.701  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1        5.190   0.388   0.671  0.00  0.00    +0.058 A 
ATOM      8  C   LIG    1        5.284   1.569  -0.114  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        4.210   1.579  -0.976  0.00  0.00    +0.091 A 
ATOM     10  N   LIG    1        3.466   0.438  -0.754  0.00  0.00    -0.303 N 
ATOM     11  C   LIG    1        4.055  -0.295   0.250  0.00  0.00    +0.148 A 
ATOM     12  N   LIG    1        3.618  -1.470   0.736  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        4.413  -1.930   1.718  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1        5.527  -1.369   2.222  0.00  0.00    -0.220 NA
BRANCH   6  15
ATOM     15  N   LIG    1        7.086   0.369   2.238  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1        7.303  -0.047   3.136  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        7.119   1.378   2.191  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1        1.550  -1.468  -3.207  0.00  0.00    -0.385 OA
ATOM     19  H   LIG    1        0.814  -2.114  -3.188  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1        0.135  -2.837  -1.443  0.00  0.00    -0.386 OA
ATOM     21  H   LIG    1        0.656  -3.655  -1.334  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  C   LIG    1       -0.739  -0.472   0.532  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -1.654   0.693   0.603  0.00  0.00    -0.294 NA
ATOM     24  C   LIG    1       -3.055   0.439   0.136  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -3.204  -0.465  -1.109  0.00  0.00    +0.037 C 
ATOM     26  C   LIG    1       -4.651  -0.549  -1.595  0.00  0.00    +0.082 C 
ATOM     27  N   LIG    1       -5.180   0.770  -1.937  0.00  0.00    -0.316 NA
ATOM     28  H   LIG    1       -4.615   1.166  -2.691  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1       -5.123   1.670  -0.787  0.00  0.00    +0.082 C 
ATOM     30  C   LIG    1       -3.709   1.807  -0.215  0.00  0.00    +0.037 C 
ATOM     31  C   LIG    1       -3.714  -0.197   1.377  0.00  0.00    +0.023 C 
ATOM     32  C   LIG    1       -2.982   0.388   2.577  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1       -1.798   1.145   2.001  0.00  0.00    +0.085 C 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6