@MOLECULE (4ar,11ar,15ar,22ar)-icosahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine 62 64 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.1168 1.3628 0.3518 O.3 1 UNL1111111111 -0.3245 2 O 3.0734 -1.4495 -0.6315 O.3 1 UNL1111111111 -0.3000 3 O -3.0358 1.3200 -0.2600 O.3 1 UNL1111111111 -0.3280 4 O -3.1816 -1.4711 0.7954 O.3 1 UNL1111111111 -0.2718 5 O 0.0329 1.5989 0.0212 O.3 1 UNL1111111111 0.0710 6 O -0.0504 -1.2954 0.0190 O.3 1 UNL1111111111 -0.0979 7 C 4.1039 0.3626 0.5616 C.3 1 UNL1111111111 0.2224 8 C 4.1300 -0.5063 -0.7180 C.3 1 UNL1111111111 0.0262 9 C -4.0179 0.3363 -0.5603 C.3 1 UNL1111111111 0.3552 10 C -4.1907 -0.4738 0.7460 C.3 1 UNL1111111111 -0.0679 11 C 5.4106 1.1537 0.7388 C.3 1 UNL1111111111 -0.5281 12 C 5.3861 -1.3932 -0.7679 C.3 1 UNL1111111111 -0.4602 13 C -5.2797 1.1334 -0.9286 C.3 1 UNL1111111111 -0.6017 14 C -5.4829 -1.3084 0.7389 C.3 1 UNL1111111111 -0.3899 15 C 6.6222 0.2219 0.7064 C.3 1 UNL1111111111 -0.3493 16 C 6.6554 -0.5544 -0.6161 C.3 1 UNL1111111111 -0.4022 17 C -6.5170 0.2363 -0.9488 C.3 1 UNL1111111111 -0.2712 18 C -6.6995 -0.4420 0.4144 C.3 1 UNL1111111111 -0.4269 19 C 1.9946 1.2810 1.2197 C.3 1 UNL1111111111 -0.1257 20 C 1.8703 -1.0697 -1.2860 C.3 1 UNL1111111111 0.0315 21 C -1.9444 1.3651 -1.1685 C.3 1 UNL1111111111 -0.1153 22 C -1.9433 -1.0602 1.3584 C.3 1 UNL1111111111 -0.0977 23 C 1.0348 2.3513 0.6892 C.3 1 UNL1111111111 -0.4853 24 C 0.8378 -2.0769 -0.7674 C.3 1 UNL1111111111 -0.4942 25 C -0.9912 2.3968 -0.5537 C.3 1 UNL1111111111 -0.5694 26 C -0.9307 -2.0758 0.8167 C.3 1 UNL1111111111 -0.3821 27 H 3.8786 -0.2666 1.4454 H 1 UNL1111111111 0.1182 28 H 4.0342 0.1284 -1.6212 H 1 UNL1111111111 0.1304 29 H -3.6983 -0.3359 -1.3815 H 1 UNL1111111111 0.0649 30 H -4.1311 0.1933 1.6295 H 1 UNL1111111111 0.1699 31 H 5.3733 1.7209 1.6862 H 1 UNL1111111111 0.1758 32 H 5.4848 1.9177 -0.0598 H 1 UNL1111111111 0.2301 33 H 5.3982 -1.9604 -1.7163 H 1 UNL1111111111 0.1718 34 H 5.3253 -2.1573 0.0320 H 1 UNL1111111111 0.2640 35 H -5.1341 1.6254 -1.9068 H 1 UNL1111111111 0.1617 36 H -5.4110 1.9579 -0.1998 H 1 UNL1111111111 0.2425 37 H -5.6026 -1.8063 1.7188 H 1 UNL1111111111 0.1838 38 H -5.3816 -2.1295 0.0015 H 1 UNL1111111111 0.2341 39 H 6.5862 -0.4833 1.5584 H 1 UNL1111111111 0.2106 40 H 7.5533 0.8040 0.8328 H 1 UNL1111111111 0.1698 41 H 6.7557 0.1464 -1.4663 H 1 UNL1111111111 0.1962 42 H 7.5471 -1.2070 -0.6537 H 1 UNL1111111111 0.1835 43 H -6.4237 -0.5277 -1.7434 H 1 UNL1111111111 0.1684 44 H -7.4133 0.8313 -1.2029 H 1 UNL1111111111 0.1487 45 H -6.8486 0.3204 1.2021 H 1 UNL1111111111 0.2133 46 H -7.6155 -1.0614 0.4127 H 1 UNL1111111111 0.1815 47 H 2.3215 1.4852 2.2513 H 1 UNL1111111111 0.1450 48 H 1.5355 0.2697 1.1594 H 1 UNL1111111111 0.1524 49 H 2.0263 -1.1459 -2.3737 H 1 UNL1111111111 0.0815 50 H 1.5841 -0.0288 -1.0232 H 1 UNL1111111111 0.0878 51 H -2.3101 1.6711 -2.1608 H 1 UNL1111111111 0.1281 52 H -1.4594 0.3670 -1.2282 H 1 UNL1111111111 0.1427 53 H -2.0422 -1.1020 2.4547 H 1 UNL1111111111 0.1321 54 H -1.6733 -0.0277 1.0506 H 1 UNL1111111111 0.1263 55 H 0.5799 2.9406 1.5017 H 1 UNL1111111111 0.2039 56 H 1.5419 3.0251 -0.0269 H 1 UNL1111111111 0.2213 57 H 0.2660 -2.5478 -1.5837 H 1 UNL1111111111 0.2064 58 H -1.4963 2.9912 0.2304 H 1 UNL1111111111 0.2593 59 H 1.3238 -2.8580 -0.1525 H 1 UNL1111111111 0.2481 60 H -0.5583 3.0673 -1.3135 H 1 UNL1111111111 0.2070 61 H -0.3500 -2.5584 1.6196 H 1 UNL1111111111 0.2053 62 H -1.4343 -2.8464 0.2036 H 1 UNL1111111111 0.2165 @BOND 1 1 7 1 2 1 19 1 3 2 8 1 4 2 20 1 5 3 9 1 6 3 21 1 7 4 10 1 8 4 22 1 9 5 23 1 10 5 25 1 11 6 24 1 12 6 26 1 13 7 8 1 14 7 11 1 15 7 27 1 16 8 12 1 17 8 28 1 18 9 10 1 19 9 13 1 20 9 29 1 21 10 14 1 22 10 30 1 23 11 15 1 24 11 31 1 25 11 32 1 26 12 16 1 27 12 33 1 28 12 34 1 29 13 17 1 30 13 35 1 31 13 36 1 32 14 18 1 33 14 37 1 34 14 38 1 35 15 16 1 36 15 39 1 37 15 40 1 38 16 41 1 39 16 42 1 40 17 18 1 41 17 43 1 42 17 44 1 43 18 45 1 44 18 46 1 45 19 23 1 46 19 47 1 47 19 48 1 48 20 24 1 49 20 49 1 50 20 50 1 51 21 25 1 52 21 51 1 53 21 52 1 54 22 26 1 55 22 53 1 56 22 54 1 57 23 55 1 58 23 56 1 59 24 57 1 60 24 59 1 61 25 58 1 62 25 60 1 63 26 61 1 64 26 62 1