oleic_acid.mol 54 53 0 0 0 -2.5062 4.0968 3.9498 C 0 0 0 0 0 -1.5664 4.8463 4.5549 C 0 0 0 0 0 -0.0604 4.8961 4.3933 C 0 0 0 0 0 0.6317 3.7741 3.6157 C 0 0 0 0 0 2.1662 3.8719 3.5656 C 0 0 0 0 0 2.7274 2.6617 2.7985 C 0 0 0 0 0 4.2573 2.6664 2.6632 C 0 0 0 0 0 4.7323 1.4136 1.9064 C 0 0 0 0 0 6.2552 1.3717 1.7153 C 0 0 0 0 0 6.7150 0.1300 0.9725 C 0 0 0 0 0 -2.3435 3.0452 2.8820 C 0 0 0 0 0 -3.4688 1.9961 2.8558 C 0 0 0 0 0 -3.1862 0.9408 1.7714 C 0 0 0 0 0 -4.1984 -0.2148 1.7710 C 0 0 0 0 0 -3.8665 -1.2383 0.6718 C 0 0 0 0 0 -4.8285 -2.4364 0.6708 C 0 0 0 0 0 -4.4938 -3.4313 -0.4525 C 0 0 0 0 0 -5.4436 -4.6362 -0.4533 C 0 0 0 0 0 6.0213 -0.7648 0.5520 O 0 0 0 0 0 8.0515 0.1154 0.8145 O 0 0 0 0 0 -3.5566 4.2979 4.2307 H 0 0 0 0 0 -1.9469 5.5850 5.2871 H 0 0 0 0 0 0.3751 4.9063 5.4221 H 0 0 0 0 0 0.1956 5.8760 3.9246 H 0 0 0 0 0 0.2671 3.7870 2.5608 H 0 0 0 0 0 0.3795 2.8016 4.1032 H 0 0 0 0 0 2.5833 3.8886 4.6000 H 0 0 0 0 0 2.4715 4.8189 3.0611 H 0 0 0 0 0 2.2759 2.6358 1.7777 H 0 0 0 0 0 2.4150 1.7253 3.3202 H 0 0 0 0 0 4.7232 2.6945 3.6765 H 0 0 0 0 0 4.5800 3.5840 2.1170 H 0 0 0 0 0 4.2380 1.3826 0.9057 H 0 0 0 0 0 4.4089 0.5044 2.4682 H 0 0 0 0 0 6.7569 1.3925 2.7112 H 0 0 0 0 0 6.5826 2.2682 1.1380 H 0 0 0 0 0 -1.4041 2.4749 3.0249 H 0 0 0 0 0 -2.3018 3.5643 1.8950 H 0 0 0 0 0 -4.4527 2.4834 2.6583 H 0 0 0 0 0 -3.5303 1.4971 3.8525 H 0 0 0 0 0 -2.1662 0.5148 1.9280 H 0 0 0 0 0 -3.1864 1.4358 0.7711 H 0 0 0 0 0 -5.2264 0.1883 1.6130 H 0 0 0 0 0 -4.1840 -0.7200 2.7659 H 0 0 0 0 0 -2.8237 -1.6098 0.8154 H 0 0 0 0 0 -3.9050 -0.7332 -0.3226 H 0 0 0 0 0 -5.8753 -2.0719 0.5437 H 0 0 0 0 0 -4.7720 -2.9572 1.6562 H 0 0 0 0 0 -3.4441 -3.7922 -0.3333 H 0 0 0 0 0 -4.5569 -2.9144 -1.4400 H 0 0 0 0 0 -5.1923 -5.3418 -1.2787 H 0 0 0 0 0 -6.5008 -4.3137 -0.5926 H 0 0 0 0 0 -5.3781 -5.1992 0.5058 H 0 0 0 0 0 8.2485 -0.7072 0.3349 H 0 0 0 0 0 1 2 2 0 0 0 1 11 1 6 0 0 1 21 1 0 0 0 2 3 1 0 0 0 2 22 1 1 0 0 3 4 1 6 0 0 3 23 1 1 0 0 3 24 1 0 0 0 4 5 1 0 0 0 4 25 1 6 0 0 4 26 1 0 0 0 5 6 1 6 0 0 5 27 1 1 0 0 5 28 1 6 0 0 6 7 1 0 0 0 6 29 1 6 0 0 6 30 1 1 0 0 7 8 1 6 0 0 7 31 1 1 0 0 7 32 1 6 0 0 8 9 1 0 0 0 8 33 1 6 0 0 8 34 1 1 0 0 9 10 1 6 0 0 9 35 1 1 0 0 9 36 1 6 0 0 10 19 2 0 0 0 10 20 1 0 0 0 11 12 1 0 0 0 11 37 1 0 0 0 11 38 1 6 0 0 12 13 1 6 0 0 12 39 1 0 0 0 12 40 1 1 0 0 13 14 1 0 0 0 13 41 1 0 0 0 13 42 1 6 0 0 14 15 1 6 0 0 14 43 1 0 0 0 14 44 1 1 0 0 15 16 1 0 0 0 15 45 1 0 0 0 15 46 1 6 0 0 16 17 1 6 0 0 16 47 1 0 0 0 16 48 1 1 0 0 17 18 1 0 0 0 17 49 1 0 0 0 17 50 1 6 0 0 18 51 1 6 0 0 18 52 1 0 0 0 18 53 1 1 0 0 20 54 1 6 0 0