@MOLECULE (9aR)-3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]-7,8-dihydro-5H-furo[3,2-g]isoquinoline-5,6,8,8a-tetraide-2,9-dione 49 51 0 0 0 SMALL USER_CHARGES @ATOM 1 O 1.3590 -3.0135 0.2681 O.3 1 UNL11111111 -0.3702 2 O -1.0131 -3.1313 1.7310 O.2 1 UNL11111111 -0.4061 3 O 3.5523 -2.5755 0.2068 O.2 1 UNL11111111 -0.4392 4 O 2.3802 0.9828 -1.8615 O.2 1 UNL11111111 -0.4760 5 N -4.0273 -0.3220 1.1917 N.4 1 UNL11111111 -0.4005 6 C 0.1652 -2.4156 -0.2406 C.3 1 UNL11111111 0.1233 7 C 0.5833 -1.0150 -0.6925 C.2 1 UNL11111111 0.1912 8 C 1.9381 -0.9445 -0.6401 C.2 1 UNL11111111 -0.4087 9 C -0.9175 -2.3408 0.8295 C.2 1 UNL11111111 0.4569 10 C -0.3307 -3.2726 -1.3967 C.3 1 UNL11111111 -0.4589 11 C -1.9004 -1.2578 0.6233 C.3 1 UNL11111111 -0.3336 12 C -0.4239 -0.0478 -0.9348 C.2 1 UNL11111111 -0.3570 13 C -1.6225 -0.1694 -0.2920 C.2 1 UNL11111111 0.1863 14 C 2.4489 -2.1910 -0.0485 C.2 1 UNL11111111 0.6057 15 C 2.7727 0.1878 -1.0377 C.2 1 UNL11111111 0.5277 16 C 4.1193 0.3157 -0.3742 C.3 1 UNL11111111 -0.3740 17 C 4.5494 1.7813 -0.2776 C.3 1 UNL11111111 -0.2511 18 C -2.6703 0.8153 -0.4262 C.3 1 UNL11111111 -0.2859 19 C -3.0667 -1.2917 1.3401 C.3 1 UNL11111111 0.1526 20 C 3.6510 2.5565 0.6961 C.3 1 UNL11111111 -0.2717 21 C -3.8262 0.7365 0.2902 C.3 1 UNL11111111 0.2130 22 C 4.1048 4.0175 0.8072 C.3 1 UNL11111111 -0.2527 23 C 3.1611 4.8133 1.7095 C.3 1 UNL11111111 -0.4409 24 C -4.9132 1.7104 0.2146 C.2 1 UNL11111111 -0.2919 25 C -5.2509 2.3218 -0.9301 C.2 1 UNL11111111 -0.0129 26 C -6.3323 3.3335 -1.0191 C.3 1 UNL11111111 -0.4624 27 H -1.2529 -2.8764 -1.8376 H 1 UNL11111111 0.1611 28 H 0.4241 -3.3327 -2.1944 H 1 UNL11111111 0.1746 29 H -0.5197 -4.3040 -1.0612 H 1 UNL11111111 0.1758 30 H -0.1779 0.8014 -1.5721 H 1 UNL11111111 0.2022 31 H 4.1175 -0.1547 0.6313 H 1 UNL11111111 0.1763 32 H 4.8609 -0.2727 -0.9574 H 1 UNL11111111 0.1767 33 H 5.6042 1.8428 0.0475 H 1 UNL11111111 0.1341 34 H 4.5052 2.2505 -1.2817 H 1 UNL11111111 0.1523 35 H -2.4961 1.6432 -1.1127 H 1 UNL11111111 0.1845 36 H -3.2812 -2.0966 2.0639 H 1 UNL11111111 0.1901 37 H 2.6002 2.5149 0.3478 H 1 UNL11111111 0.1466 38 H 3.6609 2.0783 1.6924 H 1 UNL11111111 0.1361 39 H -4.8933 -0.3696 1.7108 H 1 UNL11111111 0.3184 40 H 4.1411 4.4794 -0.1977 H 1 UNL11111111 0.1347 41 H 5.1368 4.0656 1.2016 H 1 UNL11111111 0.1311 42 H 3.4825 5.8562 1.7996 H 1 UNL11111111 0.1369 43 H 2.1394 4.8157 1.3136 H 1 UNL11111111 0.1419 44 H 3.1222 4.3905 2.7194 H 1 UNL11111111 0.1415 45 H -5.4279 1.9295 1.1509 H 1 UNL11111111 0.1677 46 H -4.7400 2.1027 -1.8727 H 1 UNL11111111 0.1542 47 H -6.8390 3.5218 -0.0624 H 1 UNL11111111 0.1602 48 H -7.1080 3.0282 -1.7401 H 1 UNL11111111 0.1684 49 H -5.9394 4.3030 -1.3692 H 1 UNL11111111 0.1720 @BOND 1 28 10 1 2 46 25 1 3 4 15 2 4 27 10 1 5 48 26 1 6 30 12 1 7 10 29 1 8 10 6 1 9 49 26 1 10 34 17 1 11 35 18 1 12 15 8 1 13 15 16 1 14 26 25 1 15 26 47 1 16 32 16 1 17 12 7 1 18 12 13 2 19 25 24 2 20 7 8 2 21 7 6 1 22 8 14 1 23 18 13 1 24 18 21 1 25 16 17 1 26 16 31 1 27 13 11 1 28 17 33 1 29 17 20 1 30 6 1 1 31 6 9 1 32 40 22 1 33 14 3 2 34 14 1 1 35 24 21 1 36 24 45 1 37 21 5 1 38 37 20 1 39 11 9 1 40 11 19 1 41 20 22 1 42 20 38 1 43 22 41 1 44 22 23 1 45 9 2 2 46 5 19 1 47 5 39 1 48 43 23 1 49 19 36 1 50 23 42 1 51 23 44 1