@MOLECULE 17,17-dimethylhexadecahydropyrido[2,1-c][1,9,4]dioxazacyclohenicosine-1,14,18,19(3h,21h)-tetrone 70 71 0 0 0 SMALL GASTEIGER @ATOM 1 N -2.6797 -0.0523 0.5390 N.am 1 UNL1111111111 -0.4679 2 C -2.4335 0.2101 -0.8062 C.2 1 UNL1111111111 0.4639 3 O -2.2018 -0.6692 -1.6062 O.2 1 UNL1111111111 -0.4763 4 C -2.2748 1.6816 -1.2010 C.2 1 UNL1111111111 0.3778 5 O -3.2410 2.3223 -1.5076 O.2 1 UNL1111111111 -0.3888 6 C -0.8488 2.2075 -1.2290 C.3 1 UNL1111111111 -0.0188 7 C -0.0564 1.6172 -0.0441 C.3 1 UNL1111111111 -0.0482 8 O 1.2286 2.2278 -0.0215 O.3 1 UNL1111111111 -0.4088 9 C 1.4560 3.1847 0.9131 C.2 1 UNL1111111111 0.6119 10 O 0.6216 3.5383 1.7058 O.2 1 UNL1111111111 -0.5194 11 C 2.8628 3.6961 0.7976 C.3 1 UNL1111111111 -0.3561 12 C 3.8569 2.6273 1.2708 C.3 1 UNL1111111111 -0.2503 13 C 4.2197 1.6582 0.1382 C.3 1 UNL1111111111 -0.2763 14 C 4.8732 0.3883 0.6964 C.3 1 UNL1111111111 -0.2699 15 C 5.3916 -0.5100 -0.4383 C.3 1 UNL1111111111 -0.2726 16 C 5.1928 -1.9993 -0.1222 C.3 1 UNL1111111111 -0.2761 17 C 3.7357 -2.4149 -0.3663 C.3 1 UNL1111111111 -0.2667 18 C 3.4875 -3.8596 0.0798 C.3 1 UNL1111111111 -0.2740 19 C 2.1094 -4.3720 -0.3624 C.3 1 UNL1111111111 -0.2650 20 C 0.9447 -3.6618 0.3384 C.3 1 UNL1111111111 -0.3160 21 C 0.3911 -2.5245 -0.5176 C.3 1 UNL1111111111 -0.0036 22 O -0.6278 -1.8359 0.2136 O.3 1 UNL1111111111 -0.4229 23 C -1.8680 -2.3743 0.1897 C.2 1 UNL1111111111 0.5994 24 O -2.1243 -3.4571 -0.2641 O.2 1 UNL1111111111 -0.4995 25 C -2.8423 -1.4650 0.9346 C.3 1 UNL1111111111 0.0080 26 C -4.2846 -1.9472 0.6924 C.3 1 UNL1111111111 -0.3020 27 C -5.2648 -1.0512 1.4564 C.3 1 UNL1111111111 -0.2621 28 C -5.0567 0.4242 1.0916 C.3 1 UNL1111111111 -0.3009 29 C -3.5859 0.8325 1.2967 C.3 1 UNL1111111111 -0.0727 30 C -0.8808 3.7320 -1.1378 C.3 1 UNL1111111111 -0.4493 31 C -0.2300 1.7498 -2.5529 C.3 1 UNL1111111111 -0.4480 32 H -0.5829 1.7478 0.9198 H 1 UNL1111111111 0.1571 33 H 0.1802 0.5417 -0.1849 H 1 UNL1111111111 0.1668 34 H 3.0836 4.0014 -0.2457 H 1 UNL1111111111 0.1744 35 H 2.9606 4.6161 1.4135 H 1 UNL1111111111 0.1741 36 H 4.7744 3.1144 1.6545 H 1 UNL1111111111 0.1429 37 H 3.4362 2.0720 2.1328 H 1 UNL1111111111 0.1492 38 H 3.3112 1.3815 -0.4360 H 1 UNL1111111111 0.1587 39 H 4.8947 2.1538 -0.5830 H 1 UNL1111111111 0.1347 40 H 5.7023 0.6472 1.3790 H 1 UNL1111111111 0.1319 41 H 4.1381 -0.1602 1.3172 H 1 UNL1111111111 0.1440 42 H 4.8850 -0.2650 -1.3911 H 1 UNL1111111111 0.1407 43 H 6.4626 -0.3034 -0.6173 H 1 UNL1111111111 0.1303 44 H 5.8676 -2.6095 -0.7508 H 1 UNL1111111111 0.1329 45 H 5.4852 -2.2111 0.9223 H 1 UNL1111111111 0.1368 46 H 3.0554 -1.7310 0.1785 H 1 UNL1111111111 0.1439 47 H 3.4902 -2.3005 -1.4388 H 1 UNL1111111111 0.1363 48 H 4.2721 -4.5199 -0.3378 H 1 UNL1111111111 0.1333 49 H 3.5863 -3.9381 1.1784 H 1 UNL1111111111 0.1354 50 H 2.0101 -4.2879 -1.4615 H 1 UNL1111111111 0.1410 51 H 2.0499 -5.4588 -0.1519 H 1 UNL1111111111 0.1367 52 H 0.1303 -4.3873 0.5450 H 1 UNL1111111111 0.1584 53 H 1.2550 -3.2768 1.3276 H 1 UNL1111111111 0.1509 54 H 1.1238 -1.7150 -0.6909 H 1 UNL1111111111 0.1397 55 H -0.0154 -2.8783 -1.4825 H 1 UNL1111111111 0.1460 56 H -2.5905 -1.5297 2.0320 H 1 UNL1111111111 0.1714 57 H -4.5078 -1.9371 -0.3945 H 1 UNL1111111111 0.1711 58 H -4.3909 -3.0056 0.9979 H 1 UNL1111111111 0.1604 59 H -6.3047 -1.3532 1.2269 H 1 UNL1111111111 0.1429 60 H -5.1450 -1.1960 2.5466 H 1 UNL1111111111 0.1369 61 H -5.3528 0.6012 0.0383 H 1 UNL1111111111 0.1587 62 H -5.7141 1.0703 1.7004 H 1 UNL1111111111 0.1442 63 H -3.4268 1.8915 0.9973 H 1 UNL1111111111 0.1516 64 H -3.3063 0.7669 2.3737 H 1 UNL1111111111 0.1517 65 H -1.5854 4.1645 -1.8618 H 1 UNL1111111111 0.1645 66 H -1.1884 4.0734 -0.1397 H 1 UNL1111111111 0.1630 67 H 0.1055 4.1640 -1.3410 H 1 UNL1111111111 0.1513 68 H -0.6989 2.2444 -3.4121 H 1 UNL1111111111 0.1549 69 H 0.8423 1.9837 -2.5796 H 1 UNL1111111111 0.1627 70 H -0.3342 0.6647 -2.7029 H 1 UNL1111111111 0.1700 @BOND 1 1 2 am 2 1 25 1 3 1 29 1 4 2 3 2 5 2 4 1 6 4 5 2 7 4 6 1 8 6 7 1 9 6 30 1 10 6 31 1 11 7 8 1 12 7 32 1 13 7 33 1 14 8 9 1 15 9 10 2 16 9 11 1 17 11 12 1 18 11 34 1 19 11 35 1 20 12 13 1 21 12 36 1 22 12 37 1 23 13 14 1 24 13 38 1 25 13 39 1 26 14 15 1 27 14 40 1 28 14 41 1 29 15 16 1 30 15 42 1 31 15 43 1 32 16 17 1 33 16 44 1 34 16 45 1 35 17 18 1 36 17 46 1 37 17 47 1 38 18 19 1 39 18 48 1 40 18 49 1 41 19 20 1 42 19 50 1 43 19 51 1 44 20 21 1 45 20 52 1 46 20 53 1 47 21 22 1 48 21 54 1 49 21 55 1 50 22 23 1 51 23 24 2 52 23 25 1 53 25 26 1 54 25 56 1 55 26 27 1 56 26 57 1 57 26 58 1 58 27 28 1 59 27 59 1 60 27 60 1 61 28 29 1 62 28 61 1 63 28 62 1 64 29 63 1 65 29 64 1 66 30 65 1 67 30 66 1 68 30 67 1 69 31 68 1 70 31 69 1 71 31 70 1