REMARK  Name = BDB000512
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.180  -1.517  -1.625  0.00  0.00    +0.082 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.128  -0.324  -1.738  0.00  0.00    +0.232 C 
BRANCH   2   3
ATOM      3  O   LIG    1       -2.417  -0.724  -1.275  0.00  0.00    -0.491 OA
BRANCH   3  13
ATOM      4  C   LIG    1       -4.567  -0.168  -0.504  0.00  0.00    +0.040 A 
ATOM      5  C   LIG    1       -5.561   0.812  -0.392  0.00  0.00    +0.174 A 
ATOM      6  C   LIG    1       -5.469   2.097  -0.893  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -6.704   2.696  -0.535  0.00  0.00    +0.088 A 
ATOM      8  N   LIG    1       -7.488   1.842   0.136  0.00  0.00    -0.082 NA
ATOM      9  C   LIG    1       -7.165   4.074  -0.814  0.00  0.00    +0.070 C 
ATOM     10  C   LIG    1       -4.302   2.478  -1.568  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -3.270   1.535  -1.701  0.00  0.00    +0.047 A 
ATOM     12  O   LIG    1       -6.767   0.663   0.225  0.00  0.00    -0.354 OA
ATOM     13  C   LIG    1       -3.391   0.240  -1.175  0.00  0.00    +0.127 A 
BRANCH   4  14
ATOM     14  C   LIG    1       -4.722  -1.545   0.088  0.00  0.00    +0.042 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -4.266  -3.018   2.081  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -4.127  -1.622   1.495  0.00  0.00    +0.001 C 
ENDBRANCH  14  16
ENDBRANCH   4  14
ENDBRANCH   3  13
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.044  -1.953  -0.176  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  O   LIG    1        0.588  -0.896   0.614  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.941  -0.698   0.620  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        2.888  -1.429  -0.098  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        4.227  -1.079   0.019  0.00  0.00    -0.040 A 
ATOM     22  C   LIG    1        5.401  -1.747  -0.626  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1        6.476  -0.664  -0.473  0.00  0.00    +0.013 C 
ATOM     24  C   LIG    1        6.141   0.106   0.826  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1        4.639  -0.025   0.843  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1        3.711   0.696   1.573  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        2.360   0.358   1.450  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1        6.655   1.540   0.813  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  C   LIG    1        8.154   1.566   0.823  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1        8.880   1.684  -0.149  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1        8.671   1.414   2.056  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1        9.641   1.447   1.917  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  24  28
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11