File: Predicate_test.hin

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ball 1.4.3~beta1-3
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file content (25 lines) | stat: -rw-r--r-- 1,293 bytes parent folder | download | duplicates (9)
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forcefield mm+
sys 0
view 40 0.18885 55 15 -0.6479062 -0.7556865 0.09568415 -0.7438974 0.6007202 -0.2928342 0.1638115 -0.2609083 -0.9513636 -1.3849 -6.013 -53.913
mol 1
atom 1 - C C2 - 0 -6.707492 0.2912781 0.4915 2 2 t 12 s
atom 2 - C C2 - 0 -6.707492 1.491278 0.4915 2 1 t 3 s
atom 3 - C C4 - 0 -6.707492 2.951278 0.4915 4 2 s 4 s 7 s 13 s
atom 4 - C C3 - 0 -5.274421 3.457939 0.4915 3 3 s 5 d 10 s
atom 5 - C C2 - 0 -5.03504 4.745882 0.4915 2 4 d 6 d
atom 6 - C C3 - 0 -4.79566 6.033825 0.4915 3 5 d 14 s 15 s
atom 7 - C CA - 0 -7.424016 3.457939 -0.7495832 3 3 s 8 a 9 a
atom 8 - O OC - 0 -7.561064 4.932683 -0.9869618 1 7 a
atom 9 - O OC - 0 -7.994065 2.48319 -1.736958 1 7 a
atom 10 - C C4 - 0 -4.119103 2.470193 0.4915 4 4 s 11 s 16 s 17 s
atom 11 - C C4 - 0 -2.785424 3.240193 0.4915 4 10 s 18 s 19 s 20 s
atom 12 - H H - 0 -6.707492 -0.7687218 0.4915 1 1 s
atom 13 - H H - 0 -7.221327 3.314615 1.381478 1 3 s
atom 14 - H H - 0 -3.777425 6.393822 0.4915 1 6 s
atom 15 - H H - 0 -5.616543 6.735644 0.4915 1 6 s
atom 16 - H H - 0 -4.176845 1.843545 1.381487 1 10 s
atom 17 - H H - 0 -4.176846 1.843531 -0.3984776 1 10 s
atom 18 - H H - 0 -1.95694 2.531875 0.4915 1 11 s
atom 19 - H H - 0 -2.727683 3.866842 -0.3984874 1 11 s
atom 20 - H H - 0 -2.727682 3.866855 1.381478 1 11 s
endmol 1