@MOLECULE 6,7,9,10,12,13,15,16,23,24,26,27,29,30,32,33-hexadecahydrodibenzo[b,q][1,4,7,10,13,16,19,22,25,28]decaoxacyclotriacontine 78 80 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.5811 -2.4866 1.5102 O.3 1 UNL11 -0.4158 2 O -0.9675 -3.0428 -0.7312 O.3 1 UNL11 -0.4153 3 O 0.4953 -1.2134 4.2289 O.3 1 UNL11 -0.4039 4 O 4.7848 -0.8843 1.2723 O.3 1 UNL11 -0.3985 5 O -4.4299 -2.1133 -0.8965 O.3 1 UNL11 -0.3985 6 O -0.0943 -2.4510 -3.7252 O.3 1 UNL11 -0.4037 7 O -1.2381 0.7376 2.3150 O.3 1 UNL11 -0.3168 8 O 2.9753 0.7951 -0.8284 O.3 1 UNL11 -0.3151 9 O -3.0731 0.4218 0.6163 O.3 1 UNL11 -0.3151 10 O 1.1644 0.2546 -2.5006 O.3 1 UNL11 -0.3166 11 C 0.2826 -2.2726 2.0281 C.3 1 UNL11 -0.0779 12 C 2.4220 -1.3427 1.5894 C.3 1 UNL11 -0.0878 13 C -2.0127 -2.1631 -1.1259 C.3 1 UNL11 -0.0876 14 C 0.2824 -2.7413 -1.3200 C.3 1 UNL11 -0.0791 15 C 0.2973 -2.4382 3.5479 C.3 1 UNL11 -0.0760 16 C 3.8296 -1.9194 1.3891 C.3 1 UNL11 -0.0514 17 C -3.2873 -2.9335 -0.7572 C.3 1 UNL11 -0.0522 18 C 0.3569 -3.3431 -2.7231 C.3 1 UNL11 -0.0752 19 C -0.6249 -0.3530 4.2779 C.3 1 UNL11 -0.0569 20 C 4.8670 -0.2643 0.0057 C.3 1 UNL11 -0.0525 21 C -4.6647 -1.2064 0.1608 C.3 1 UNL11 -0.0530 22 C 0.8021 -1.4173 -4.0765 C.3 1 UNL11 -0.0562 23 C -0.3336 0.8807 3.4139 C.3 1 UNL11 -0.0856 24 C 4.0904 1.0575 0.0281 C.3 1 UNL11 -0.0916 25 C -4.1893 0.1930 -0.2485 C.3 1 UNL11 -0.0908 26 C 0.2548 -0.0843 -3.5514 C.3 1 UNL11 -0.0871 27 C -1.5120 1.8527 1.5890 C.ar 1 UNL11 0.1654 28 C 2.1589 1.8436 -1.1142 C.ar 1 UNL11 0.1588 29 C -2.5489 1.6753 0.6313 C.ar 1 UNL11 0.1609 30 C 1.1330 1.5358 -2.0494 C.ar 1 UNL11 0.1636 31 C -0.8878 3.0834 1.7131 C.ar 1 UNL11 -0.2401 32 C 2.2572 3.1213 -0.5874 C.ar 1 UNL11 -0.2449 33 C -2.9393 2.7334 -0.1731 C.ar 1 UNL11 -0.2458 34 C 0.2225 2.5103 -2.4250 C.ar 1 UNL11 -0.2407 35 C -1.3067 4.1526 0.9103 C.ar 1 UNL11 -0.1437 36 C 1.3494 4.1065 -0.9974 C.ar 1 UNL11 -0.1502 37 C -2.3191 3.9805 -0.0196 C.ar 1 UNL11 -0.1516 38 C 0.3447 3.8041 -1.9024 C.ar 1 UNL11 -0.1413 39 H -0.3002 -3.0738 1.5274 H 1 UNL11 0.1613 40 H -0.1244 -1.2958 1.7109 H 1 UNL11 0.1534 41 H 2.3203 -0.8413 2.5665 H 1 UNL11 0.1377 42 H 2.1333 -0.6464 0.7814 H 1 UNL11 0.1443 43 H -1.9647 -1.9457 -2.2060 H 1 UNL11 0.1381 44 H -1.9072 -1.2246 -0.5518 H 1 UNL11 0.1442 45 H 0.9917 -3.2324 -0.6209 H 1 UNL11 0.1621 46 H 0.4819 -1.6551 -1.3116 H 1 UNL11 0.1535 47 H -0.6103 -2.9404 3.9195 H 1 UNL11 0.1172 48 H 1.1886 -3.0150 3.8722 H 1 UNL11 0.1556 49 H 4.1804 -2.4566 2.2911 H 1 UNL11 0.1426 50 H 3.8673 -2.6058 0.5263 H 1 UNL11 0.1296 51 H -3.4959 -3.7450 -1.4801 H 1 UNL11 0.1425 52 H -3.2203 -3.3651 0.2560 H 1 UNL11 0.1298 53 H 1.3680 -3.7096 -2.9636 H 1 UNL11 0.1173 54 H -0.3676 -4.1771 -2.8325 H 1 UNL11 0.1551 55 H -0.7016 -0.0870 5.3489 H 1 UNL11 0.1354 56 H -1.5630 -0.8463 3.9636 H 1 UNL11 0.1464 57 H 4.5169 -0.9217 -0.8123 H 1 UNL11 0.1481 58 H 5.9538 -0.0918 -0.1112 H 1 UNL11 0.1389 59 H -4.1928 -1.5279 1.1084 H 1 UNL11 0.1487 60 H -5.7644 -1.2419 0.2761 H 1 UNL11 0.1384 61 H 0.8027 -1.4438 -5.1826 H 1 UNL11 0.1363 62 H 1.8308 -1.5967 -3.7135 H 1 UNL11 0.1459 63 H -0.5242 1.8159 3.9634 H 1 UNL11 0.1286 64 H 0.6982 0.8734 3.0174 H 1 UNL11 0.1525 65 H 3.7289 1.3006 1.0434 H 1 UNL11 0.1499 66 H 4.6824 1.8942 -0.3756 H 1 UNL11 0.1278 67 H -3.8487 0.2190 -1.2992 H 1 UNL11 0.1502 68 H -4.9633 0.9584 -0.0807 H 1 UNL11 0.1276 69 H 0.2556 0.6939 -4.3314 H 1 UNL11 0.1288 70 H -0.7575 -0.1943 -3.1215 H 1 UNL11 0.1517 71 H -0.0741 3.2358 2.4155 H 1 UNL11 0.1617 72 H 3.0248 3.3765 0.1360 H 1 UNL11 0.1593 73 H -3.7183 2.6179 -0.9197 H 1 UNL11 0.1594 74 H -0.5889 2.2914 -3.1120 H 1 UNL11 0.1616 75 H -0.8208 5.1194 1.0185 H 1 UNL11 0.1475 76 H 1.4370 5.1117 -0.5926 H 1 UNL11 0.1464 77 H -2.6381 4.8127 -0.6422 H 1 UNL11 0.1464 78 H -0.3663 4.5689 -2.2066 H 1 UNL11 0.1482 @BOND 1 1 11 1 2 1 12 1 3 2 13 1 4 2 14 1 5 3 15 1 6 3 19 1 7 4 16 1 8 4 20 1 9 5 17 1 10 5 21 1 11 6 18 1 12 6 22 1 13 7 23 1 14 7 27 1 15 8 24 1 16 8 28 1 17 9 25 1 18 9 29 1 19 10 26 1 20 10 30 1 21 11 15 1 22 11 39 1 23 11 40 1 24 12 16 1 25 12 41 1 26 12 42 1 27 13 17 1 28 13 43 1 29 13 44 1 30 14 18 1 31 14 45 1 32 14 46 1 33 15 47 1 34 15 48 1 35 16 49 1 36 16 50 1 37 17 51 1 38 17 52 1 39 18 53 1 40 18 54 1 41 19 23 1 42 19 55 1 43 19 56 1 44 20 24 1 45 20 57 1 46 20 58 1 47 21 25 1 48 21 59 1 49 21 60 1 50 22 26 1 51 22 61 1 52 22 62 1 53 23 63 1 54 23 64 1 55 24 65 1 56 24 66 1 57 25 67 1 58 25 68 1 59 26 69 1 60 26 70 1 61 27 29 ar 62 27 31 ar 63 28 30 ar 64 28 32 ar 65 29 33 ar 66 30 34 ar 67 31 35 ar 68 31 71 1 69 32 36 ar 70 32 72 1 71 33 37 ar 72 33 73 1 73 34 38 ar 74 34 74 1 75 35 37 ar 76 35 75 1 77 36 38 ar 78 36 76 1 79 37 77 1 80 38 78 1