# Erste 50% Komponente 39 atoms Coords 1 2.4564 -0.8295 0.1879 #O 2 -2.4447 -0.8526 0.1969 #O 0 0 0 0 0 0 0 0 0 0 0 0 3 -0.0158 1.6276 -0.0351 #O 0 0 0 0 0 0 0 0 0 0 0 0 4 -0.0048 -3.1774 1.0054 #O 0 0 0 0 0 0 0 0 0 0 0 0 5 3.7152 -1.2444 -1.7050 #O 0 0 0 0 0 0 0 0 0 0 0 0 6 -3.6980 -1.2451 -1.7045 #O 0 0 0 0 0 0 0 0 0 0 0 0 7 0.0036 3.2900 1.5699 #O 0 0 0 0 0 0 0 0 0 0 0 0 8 0.0101 -0.7893 0.3472 #C 0 0 0 0 0 0 0 0 0 0 0 0 9 1.2540 -0.9884 -0.5546 #C 0 0 0 0 0 0 0 0 0 0 0 0 10 -1.2409 -0.9829 -0.5469 #C 0 0 0 0 0 0 0 0 0 0 0 0 11 0.0119 0.6268 0.9756 #C 0 0 0 0 0 0 0 0 0 0 0 0 12 0.0416 -1.8407 1.4872 #C 0 0 0 0 0 0 0 0 0 0 0 0 13 3.6145 -0.9854 -0.5163 #C 0 0 0 0 0 0 0 0 0 0 0 0 14 -3.6012 -1.0082 -0.5107 #C 0 0 0 0 0 0 0 0 0 0 0 0 15 -0.0168 2.9178 0.4074 #C 0 0 0 0 0 0 0 0 0 0 0 0 16 4.7447 -0.7874 0.4146 #C 0 0 0 0 0 0 0 0 0 0 0 0 17 -4.7344 -0.8376 0.4219 #C 0 0 0 0 0 0 0 0 0 0 0 0 18 -0.0491 3.8047 -0.7740 #C 0 0 0 0 0 0 0 0 0 0 0 0 19 6.0013 -0.8886 -0.0276 #C 0 0 0 0 0 0 0 0 0 0 0 0 20 -5.9896 -0.9407 -0.0243 #C 0 0 0 0 0 0 0 0 0 0 0 0 21 -0.0580 5.1313 -0.6148 #C 0 0 0 0 0 0 0 0 0 0 0 0 22 1.2448 -0.2587 -1.3744 #H 0 0 0 0 0 0 0 0 0 0 0 0 23 1.2419 -1.9911 -1.0008 #H 0 0 0 0 0 0 0 0 0 0 0 0 24 -1.2425 -0.2430 -1.3577 #H 0 0 0 0 0 0 0 0 0 0 0 0 25 -1.2193 -1.9784 -1.0090 #H 0 0 0 0 0 0 0 0 0 0 0 0 26 0.9082 0.7652 1.5933 #H 0 0 0 0 0 0 0 0 0 0 0 0 27 -0.8655 0.7500 1.6232 #H 0 0 0 0 0 0 0 0 0 0 0 0 28 -0.8167 -1.7009 2.1545 #H 0 0 0 0 0 0 0 0 0 0 0 0 29 0.9470 -1.7313 2.0948 #H 0 0 0 0 0 0 0 0 0 0 0 0 30 0.0143 -3.7621 1.7820 #H 0 0 0 0 0 0 0 0 0 0 0 0 31 4.5387 -0.5604 1.4546 #H 0 0 0 0 0 0 0 0 0 0 0 0 32 -4.5318 -0.6287 1.4663 #H 0 0 0 0 0 0 0 0 0 0 0 0 33 -0.0652 3.3643 -1.7646 #H 0 0 0 0 0 0 0 0 0 0 0 0 34 6.8308 -0.7431 0.6565 #H 0 0 0 0 0 0 0 0 0 0 0 0 35 6.2393 -1.1144 -1.0613 #H 0 0 0 0 0 0 0 0 0 0 0 0 36 -6.8212 -0.8152 0.6612 #H 0 0 0 0 0 0 0 0 0 0 0 0 37 -6.2240 -1.1487 -1.0624 #H 0 0 0 0 0 0 0 0 0 0 0 0 38 -0.0817 5.7818 -1.4828 #H 0 0 0 0 0 0 0 0 0 0 0 0 39 -0.0424 5.6013 0.3623 #H 0 0 0 0 0 0 0 0 0 0 0 0 Types 1 3 2 3 3 3 4 3 5 3 6 3 7 3 8 1 9 1 10 1 11 1 12 1 13 1 14 1 15 1 16 1 17 1 18 1 19 1 20 1 21 1 22 2 23 2 24 2 25 2 26 2 27 2 28 2 29 2 30 2 31 2 32 2 33 2 34 2 35 2 36 2 37 2 38 2 39 2