REMARK  Name = BDB024063
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.595  -0.456   0.349  0.00  0.00    +0.012 C 
ATOM      2  C   LIG    1        0.951  -1.733   0.556  0.00  0.00    +0.052 C 
ENDROOT
BRANCH   1   9
ATOM      3  C   LIG    1       -3.084   2.832   0.905  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1       -2.594   1.562   0.272  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -3.393   0.788  -0.585  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -2.853  -0.330  -1.241  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -3.620  -1.110  -2.270  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -1.553  -0.751  -0.913  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -0.776  -0.049   0.013  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1       -1.296   1.120   0.578  0.00  0.00    +0.015 A 
BRANCH   5  11
ATOM     11  O   LIG    1       -4.674   1.192  -0.857  0.00  0.00    -0.475 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -5.700   0.572  -0.060  0.00  0.00    +0.200 C 
ATOM     13  C   LIG    1       -6.743   0.022  -1.053  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1       -6.406   1.692   0.727  0.00  0.00    +0.067 C 
BRANCH  12  15
ATOM     15  C   LIG    1       -5.332  -0.577   0.919  0.00  0.00    +0.348 C 
ATOM     16  O   LIG    1       -5.455  -1.776   0.716  0.00  0.00    -0.247 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -4.809  -0.155   2.091  0.00  0.00    -0.478 OA
ATOM     18  H   LIG    1       -4.557  -0.986   2.547  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  C   LIG    1        2.319  -2.189   0.917  0.00  0.00    +0.189 C 
ATOM     20  O   LIG    1        2.480  -3.300   1.417  0.00  0.00    -0.287 OA
BRANCH  19  21
ATOM     21  C   LIG    1        3.484  -1.307   0.734  0.00  0.00    +0.062 A 
ATOM     22  C   LIG    1        3.841  -0.760  -0.504  0.00  0.00    +0.132 A 
ATOM     23  N   LIG    1        4.885   0.101  -0.602  0.00  0.00    -0.231 NA
ATOM     24  C   LIG    1        5.616   0.395   0.490  0.00  0.00    +0.073 A 
ATOM     25  C   LIG    1        5.340  -0.155   1.756  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        6.139   0.174   2.866  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        7.212   1.052   2.723  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        7.487   1.601   1.476  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        6.690   1.268   0.377  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1        4.253  -1.022   1.865  0.00  0.00    +0.025 A 
BRANCH  22  31
ATOM     31  N   LIG    1        3.139  -1.103  -1.685  0.00  0.00    -0.321 N 
ATOM     32  C   LIG    1        3.566  -2.423  -2.163  0.00  0.00    +0.130 C 
ATOM     33  C   LIG    1        3.232  -0.061  -2.711  0.00  0.00    +0.130 C 
ENDBRANCH  22  31
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 8