@MOLECULE (3s,8as)-3-{[(3s)-7,7-dimethyl-3-(2-methyl-3-buten-2-yl)-2-oxo-1,2,3,7-tetrahydropyrano[2,3-g]indol-3-yl]methyl}-8a-methoxyhexahydropyrrolo[1,2-a]pyrazine-1,4-dione 68 72 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.1360 0.7737 -1.5160 O.3 1 UNL1111111111 -0.4108 2 O 0.1535 -3.1748 2.3035 O.2 1 UNL1111111111 -0.4619 3 O 3.7689 -0.4494 2.3812 O.2 1 UNL1111111111 -0.4989 4 O 0.9897 2.8965 -0.5020 O.2 1 UNL1111111111 -0.5121 5 O -3.9809 1.6604 -0.7999 O.3 1 UNL1111111111 -0.3547 6 N 3.7697 0.9859 0.6407 N.am 1 UNL1111111111 -0.5144 7 N 0.9991 1.0492 0.7911 N.am 1 UNL1111111111 -0.5737 8 N -1.4826 -1.6525 1.8258 N.am 1 UNL1111111111 -0.5759 9 C 0.1728 -1.9734 0.1091 C.3 1 UNL1111111111 -0.0025 10 C 1.5637 -1.3414 0.2224 C.3 1 UNL1111111111 -0.3213 11 C 0.1663 -3.2311 -0.8255 C.3 1 UNL1111111111 0.0997 12 C 1.6623 -0.1785 1.2306 C.3 1 UNL1111111111 0.0173 13 C 3.0804 1.6856 -0.4306 C.3 1 UNL1111111111 0.3611 14 C -0.8795 -0.9705 -0.2962 C.ar 1 UNL1111111111 -0.2206 15 C -0.3120 -2.3935 1.5221 C.2 1 UNL1111111111 0.5671 16 C 3.8878 2.9697 -0.7028 C.3 1 UNL1111111111 -0.3227 17 C 3.1581 0.0912 1.4875 C.2 1 UNL1111111111 0.5586 18 C 5.1177 1.5265 0.8689 C.3 1 UNL1111111111 -0.0493 19 C 5.0664 2.9570 0.2893 C.3 1 UNL1111111111 -0.2852 20 C -1.8317 -0.8306 0.7466 C.ar 1 UNL1111111111 0.2492 21 C 1.5949 1.9392 -0.0696 C.2 1 UNL1111111111 0.5127 22 C -1.2412 -3.8481 -0.8272 C.3 1 UNL1111111111 -0.4691 23 C 1.1544 -4.3021 -0.3315 C.3 1 UNL1111111111 -0.4718 24 C 0.6115 -2.8195 -2.2070 C.2 1 UNL1111111111 -0.1360 25 C -1.0088 -0.2359 -1.4617 C.ar 1 UNL1111111111 -0.0063 26 C -2.9096 0.0434 0.6439 C.ar 1 UNL1111111111 -0.2727 27 C -3.0050 0.7766 -0.5593 C.ar 1 UNL1111111111 0.3422 28 C -2.0768 0.6451 -1.6033 C.ar 1 UNL1111111111 -0.3280 29 C -3.9183 0.2502 1.6561 C.2 1 UNL1111111111 -0.0846 30 C -0.1667 -2.7540 -3.2861 C.2 1 UNL1111111111 -0.3270 31 C -5.0012 1.9378 0.1905 C.3 1 UNL1111111111 0.3194 32 C 2.4223 1.1610 -2.6753 C.3 1 UNL1111111111 -0.1960 33 C -4.9004 1.1362 1.4480 C.2 1 UNL1111111111 -0.2519 34 C -4.8217 3.4307 0.4752 C.3 1 UNL1111111111 -0.4829 35 C -6.3038 1.6288 -0.5521 C.3 1 UNL1111111111 -0.4851 36 H 1.8925 -0.9872 -0.7798 H 1 UNL1111111111 0.1856 37 H 2.2996 -2.1227 0.5227 H 1 UNL1111111111 0.1824 38 H 1.2058 -0.4825 2.2181 H 1 UNL1111111111 0.1875 39 H 3.2600 3.8722 -0.5835 H 1 UNL1111111111 0.1769 40 H 4.2505 2.9816 -1.7462 H 1 UNL1111111111 0.1633 41 H 5.8662 0.8960 0.3422 H 1 UNL1111111111 0.1455 42 H 5.3654 1.5062 1.9515 H 1 UNL1111111111 0.1594 43 H 6.0140 3.2229 -0.2042 H 1 UNL1111111111 0.1480 44 H 4.9110 3.6998 1.0913 H 1 UNL1111111111 0.1515 45 H -0.0017 1.1088 0.9573 H 1 UNL1111111111 0.3360 46 H 0.9402 -4.6113 0.7012 H 1 UNL1111111111 0.1753 47 H 2.1942 -3.9602 -0.3549 H 1 UNL1111111111 0.1511 48 H 1.0954 -5.2012 -0.9552 H 1 UNL1111111111 0.1499 49 H -1.5109 -4.2436 0.1587 H 1 UNL1111111111 0.1523 50 H -2.0079 -3.1170 -1.1111 H 1 UNL1111111111 0.1587 51 H -1.3049 -4.6825 -1.5347 H 1 UNL1111111111 0.1520 52 H -2.0208 -1.7519 2.6619 H 1 UNL1111111111 0.3294 53 H 1.6763 -2.5833 -2.2729 H 1 UNL1111111111 0.1447 54 H -0.2793 -0.3454 -2.2669 H 1 UNL1111111111 0.1639 55 H -2.1972 1.2428 -2.5022 H 1 UNL1111111111 0.1813 56 H -3.8492 -0.3313 2.5733 H 1 UNL1111111111 0.1492 57 H 0.1992 -2.4733 -4.2614 H 1 UNL1111111111 0.1393 58 H -1.2232 -2.9723 -3.2929 H 1 UNL1111111111 0.1516 59 H 2.6550 0.3520 -3.3795 H 1 UNL1111111111 0.1475 60 H 2.7777 2.1190 -3.0663 H 1 UNL1111111111 0.1293 61 H 1.3440 1.2095 -2.4785 H 1 UNL1111111111 0.1423 62 H -5.6825 1.3292 2.1764 H 1 UNL1111111111 0.1627 63 H -4.7736 4.0044 -0.4601 H 1 UNL1111111111 0.1661 64 H -5.6441 3.8287 1.0761 H 1 UNL1111111111 0.1549 65 H -3.8830 3.6181 1.0132 H 1 UNL1111111111 0.1667 66 H -7.1771 1.9773 0.0068 H 1 UNL1111111111 0.1561 67 H -6.3163 2.1114 -1.5382 H 1 UNL1111111111 0.1654 68 H -6.4146 0.5504 -0.7212 H 1 UNL1111111111 0.1621 @BOND 1 1 13 1 2 1 32 1 3 2 15 2 4 3 17 2 5 4 21 2 6 5 27 1 7 5 31 1 8 6 13 1 9 6 17 am 10 6 18 1 11 7 12 1 12 7 21 am 13 7 45 1 14 8 15 am 15 8 20 1 16 8 52 1 17 9 10 1 18 9 11 1 19 9 14 1 20 9 15 1 21 10 12 1 22 10 36 1 23 10 37 1 24 11 22 1 25 11 23 1 26 11 24 1 27 12 17 1 28 12 38 1 29 13 16 1 30 13 21 1 31 14 20 ar 32 14 25 ar 33 16 19 1 34 16 39 1 35 16 40 1 36 18 19 1 37 18 41 1 38 18 42 1 39 19 43 1 40 19 44 1 41 20 26 ar 42 22 49 1 43 22 50 1 44 22 51 1 45 23 46 1 46 23 47 1 47 23 48 1 48 24 30 2 49 24 53 1 50 25 28 ar 51 25 54 1 52 26 27 ar 53 26 29 1 54 27 28 ar 55 28 55 1 56 29 33 2 57 29 56 1 58 30 57 1 59 30 58 1 60 31 33 1 61 31 34 1 62 31 35 1 63 32 59 1 64 32 60 1 65 32 61 1 66 33 62 1 67 34 63 1 68 34 64 1 69 34 65 1 70 35 66 1 71 35 67 1 72 35 68 1