REMARK  Name = BDB001823
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.443   3.595  -2.392  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        0.636   2.895  -1.398  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1       -0.425   2.237  -0.835  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1       -1.269   2.328  -1.389  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.363   1.225   0.202  0.00  0.00    +0.104 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.733   0.901   0.790  0.00  0.00    +0.023 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -2.618   0.119  -0.185  0.00  0.00    +0.036 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -3.943  -0.242   0.439  0.00  0.00    -0.047 A 
ATOM      9  C   LIG    1       -5.017   0.657   0.395  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -6.237   0.331   0.987  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -6.394  -0.894   1.632  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.331  -1.793   1.687  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -4.109  -1.468   1.095  0.00  0.00    +0.003 A 
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  14
ATOM     14  C   LIG    1        2.010   2.769  -0.750  0.00  0.00    +0.328 C 
BRANCH  14  15
ATOM     15  O   LIG    1        2.468   1.421  -0.844  0.00  0.00    -0.452 OA
BRANCH  15  16
ATOM     16  C   LIG    1        3.610   1.180  -0.158  0.00  0.00    +0.340 C 
ATOM     17  O   LIG    1        4.223   1.995   0.512  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  C   LIG    1        4.021  -0.242  -0.306  0.00  0.00    +0.059 A 
ATOM     19  C   LIG    1        5.140  -0.686   0.415  0.00  0.00    +0.018 A 
ATOM     20  C   LIG    1        5.566  -2.013   0.315  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        4.870  -2.892  -0.509  0.00  0.00    +0.117 A 
ATOM     22  C   LIG    1        3.762  -2.468  -1.232  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        3.334  -1.141  -1.134  0.00  0.00    +0.018 A 
BRANCH  21  24
ATOM     24  O   LIG    1        5.249  -4.195  -0.637  0.00  0.00    -0.507 OA
ATOM     25  H   LIG    1        6.041  -4.347  -0.096  0.00  0.00    +0.292 HD
ENDBRANCH  21  24
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   2  14
TORSDOF 9