86 MOL 0 1 1 2.1556 3.9127 0.0000C 2 2 0.8219 3.1427 0.0000C 3 8 0.8219 1.6027 0.0000O 4 2 -0.5118 0.8327 0.0000C 5 8 -0.5118 -0.7073 0.0000O 6 2 0.8219 -1.4773 0.0000C 7 2 2.1556 -0.7073 0.0000C 8 1 2.1556 0.8327 0.0000C 9 8 3.4893 1.6027 0.0000O 10 8 3.4893 -1.4773 0.0000O 11 2 3.4893 -3.0173 0.0000C 12 8 4.8230 -3.7873 0.0000O 13 2 6.1566 -3.0173 0.0000C 14 2 6.1566 -1.4773 0.0000C 15 8 4.8230 -0.7073 0.0000O 16 2 7.4903 -0.7073 0.0000C 17 1 7.4903 0.8327 0.0000C 18 8 8.8240 1.6027 0.0000O 19 8 8.8240 -1.4773 0.0000O 20 2 8.8240 -3.0173 0.0000C 21 8 10.1577 -3.7873 0.0000O 22 2 11.4914 -3.0173 0.0000C 23 2 11.4914 -1.4773 0.0000C 24 8 10.1577 -0.7073 0.0000O 25 2 12.8250 -0.7073 0.0000C 26 19 12.8250 0.8327 0.0000N 27 2 11.4914 1.6027 0.0000C 28 1 10.1577 0.8327 0.0000C 29 8 11.4914 3.1427 0.0000O 30 2 14.1587 -1.4773 0.0000C 31 8 15.4924 -0.7073 0.0000O 32 1 16.8261 -1.4773 0.0000C 33 2 18.1597 -0.7073 0.0000C 34 8 18.1597 0.8327 0.0000O 35 2 19.4934 1.6027 0.0000C 36 8 19.4934 3.1427 0.0000O 37 2 20.8271 0.8327 0.0000C 38 19 22.1608 1.6027 0.0000N 39 2 22.1608 3.1427 0.0000C 40 1 20.8271 3.9127 0.0000C 41 8 23.4945 3.9127 0.0000O 42 2 20.8271 -0.7073 0.0000C 43 8 22.1608 -1.4773 0.0000O 44 2 23.4945 -0.7073 0.0000C 45 8 23.4945 0.8327 0.0000O 46 2 24.8281 1.6027 0.0000C 47 1 24.8281 3.1427 0.0000C 48 8 26.1618 3.9127 0.0000O 49 2 26.1618 0.8327 0.0000C 50 8 27.4955 1.6027 0.0000O 51 2 26.1618 -0.7073 0.0000C 52 8 27.4955 -1.4773 0.0000O 53 2 24.8281 -1.4773 0.0000C 54 8 24.8281 -3.0173 0.0000O 55 2 19.4934 -1.4773 0.0000C 56 8 19.4934 -3.0173 0.0000O 57 8 14.1587 -3.0173 0.0000O 58 2 12.8250 -3.7873 0.0000C 59 1 12.8250 -5.3273 0.0000C 60 8 11.4914 -6.0973 0.0000O 61 2 7.4903 -3.7873 0.0000C 62 8 7.4903 -5.3273 0.0000O 63 2 2.1556 -3.7873 0.0000C 64 19 2.1556 -5.3273 0.0000N 65 2 3.4893 -6.0973 0.0000C 66 1 4.8230 -5.3273 0.0000C 67 8 3.4893 -7.6373 0.0000O 68 2 0.8219 -3.0173 0.0000C 69 8 -0.5118 -3.7873 0.0000O 70 2 -0.5118 -5.3273 0.0000C 71 8 0.8219 -6.0973 0.0000O 72 2 0.8219 -7.6373 0.0000C 73 1 2.1556 -8.4073 0.0000C 74 8 2.1556 -9.9473 0.0000O 75 2 -0.5118 -8.4073 0.0000C 76 8 -0.5118 -9.9473 0.0000O 77 2 -1.8454 -7.6373 0.0000C 78 8 -3.1791 -8.4073 0.0000O 79 2 -1.8454 -6.0973 0.0000C 80 8 -3.1791 -5.3273 0.0000O 81 2 -1.8454 1.6027 0.0000C 82 8 -3.1791 0.8327 0.0000O 83 2 -1.8454 3.1427 0.0000C 84 8 -3.1791 3.9127 0.0000O 85 2 -0.5118 3.9127 0.0000C 86 8 -0.5118 5.4527 0.0000O 92 MOL 1 2 1 1 2 2 3 1 3 3 4 1 4 4 5 1 5 6 5 1 6 6 7 1 7 7 8 1 8 8 9 1 9 7 10 1 10 10 11 1 11 11 12 1 12 13 12 1 13 13 14 1 14 14 15 1 15 14 16 1 16 16 17 1 17 17 18 1 18 16 19 1 19 19 20 1 20 20 21 1 21 22 21 1 22 22 23 1 23 23 24 1 24 23 25 1 25 25 26 1 26 26 27 1 27 27 28 1 28 27 29 2 29 25 30 1 30 30 31 1 31 31 32 1 32 33 32 1 33 33 34 1 34 34 35 1 35 35 36 1 36 35 37 1 37 37 38 1 38 38 39 1 39 39 40 1 40 39 41 2 41 37 42 1 42 42 43 1 43 44 43 1 44 44 45 1 45 45 46 1 46 46 47 1 47 47 48 1 48 46 49 1 49 49 50 1 50 49 51 1 51 51 52 1 52 51 53 1 53 44 53 1 54 53 54 1 55 42 55 1 56 33 55 1 57 55 56 1 58 30 57 1 59 57 58 1 60 22 58 1 61 58 59 1 62 59 60 1 63 20 61 1 64 13 61 1 65 61 62 1 66 11 63 1 67 63 64 1 68 64 65 1 69 65 66 1 70 65 67 2 71 63 68 1 72 6 68 1 73 68 69 1 74 70 69 1 75 70 71 1 76 71 72 1 77 72 73 1 78 73 74 1 79 72 75 1 80 75 76 1 81 75 77 1 82 77 78 1 83 77 79 1 84 70 79 1 85 79 80 1 86 4 81 1 87 81 82 1 88 81 83 1 89 83 84 1 90 83 85 1 91 2 85 1 92 85 86 1 0 MOL