@MOLECULE (3r)-7-amino-4,5,6-triethoxy-3-[(5r)-4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3h)-one 68 72 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -0.4450 -0.4199 -0.5305 C.3 1 UNL1 0.1071 2 C -1.2164 -0.0494 0.7691 C.3 1 UNL1 0.0553 3 C -4.7125 -1.5884 0.5178 C.ar 1 UNL1 -0.2917 4 C 1.3318 3.0135 -0.6128 C.3 1 UNL1 -0.0212 5 C 4.9374 1.6903 1.2275 C.3 1 UNL1 -0.0141 6 C 5.8499 -0.4435 -1.3652 C.3 1 UNL1 -0.0307 7 C 0.0117 -0.0463 2.8806 C.3 1 UNL1 -0.2789 8 C -3.2942 2.9872 -1.1368 C.3 1 UNL1 -0.1974 9 C 0.3503 4.0499 -0.0834 C.3 1 UNL1 -0.4649 10 C 5.4715 3.1138 1.2818 C.3 1 UNL1 -0.4632 11 C 7.3087 -0.7487 -1.0639 C.3 1 UNL1 -0.4631 12 H 2.9290 -3.7836 -0.9090 H 1 UNL1 0.3289 13 H 4.5117 -3.1505 -0.6288 H 1 UNL1 0.3111 14 C 1.8304 0.7939 -0.0624 C.ar 1 UNL1 0.0161 15 C 2.9906 -1.7684 -0.5493 C.ar 1 UNL1 0.3178 16 C 3.2409 0.6165 -0.0165 C.ar 1 UNL1 0.2239 17 C 3.8058 -0.6282 -0.2652 C.ar 1 UNL1 -0.0777 18 C -3.3702 0.8470 -0.1648 C.ar 1 UNL1 0.2115 19 O 0.5371 -3.6929 -1.0236 O.2 1 UNL1 -0.5114 20 C -2.5521 -2.4539 1.4805 C.3 1 UNL1 -0.3022 21 C -1.6372 -1.7875 2.5204 C.3 1 UNL1 -0.0850 22 C -6.8494 0.8124 -1.0788 C.3 1 UNL1 0.1603 23 O 1.2410 1.9530 0.3523 O.3 1 UNL1 -0.3272 24 O 3.9628 1.7498 0.1691 O.3 1 UNL1 -0.3511 25 O 5.1566 -0.8466 -0.1676 O.3 1 UNL1 -0.3470 26 O -2.6144 1.9328 -0.4596 O.3 1 UNL1 -0.3014 27 C 0.5222 -2.5040 -0.8398 C.2 1 UNL1 0.6519 28 C 1.0458 -0.2875 -0.3881 C.ar 1 UNL1 0.0472 29 C 1.6125 -1.5567 -0.6094 C.ar 1 UNL1 -0.3626 30 C -2.6846 -0.2075 0.4833 C.ar 1 UNL1 -0.1888 31 C -3.3487 -1.3910 0.8030 C.ar 1 UNL1 0.1152 32 C -4.7097 0.6636 -0.4405 C.ar 1 UNL1 -0.0521 33 C -5.3565 -0.5410 -0.0983 C.ar 1 UNL1 0.2153 34 O -0.6750 -1.8123 -0.8472 O.3 1 UNL1 -0.3807 35 O -5.5975 1.5299 -1.0499 O.3 1 UNL1 -0.3470 36 O -6.6749 -0.4864 -0.4695 O.3 1 UNL1 -0.3401 37 N 3.5417 -2.9935 -0.7975 N.pl3 1 UNL1 -0.5784 38 N -0.6681 -0.8800 1.8654 N.3 1 UNL1 -0.4174 39 H -0.8519 0.1380 -1.4032 H 1 UNL1 0.1623 40 H -0.9954 1.0441 0.9626 H 1 UNL1 0.1701 41 H -5.2185 -2.5135 0.7653 H 1 UNL1 0.1835 42 H -1.9311 -2.9915 0.7200 H 1 UNL1 0.2009 43 H -3.1839 -3.2243 1.9567 H 1 UNL1 0.1497 44 H -2.2570 -1.2719 3.2862 H 1 UNL1 0.1159 45 H -1.0355 -2.5632 3.0460 H 1 UNL1 0.1385 46 H -0.6554 0.6247 3.4402 H 1 UNL1 0.1179 47 H 0.5317 -0.7071 3.5926 H 1 UNL1 0.1432 48 H 0.7877 0.5669 2.3854 H 1 UNL1 0.1616 49 H -7.5726 1.3719 -0.4702 H 1 UNL1 0.1365 50 H -7.1216 0.6521 -2.1310 H 1 UNL1 0.1376 51 H 1.0515 2.6379 -1.6105 H 1 UNL1 0.1217 52 H 2.3741 3.3765 -0.6276 H 1 UNL1 0.1286 53 H 5.7179 0.9527 0.9744 H 1 UNL1 0.1430 54 H 4.4265 1.3905 2.1586 H 1 UNL1 0.1312 55 H 5.6680 0.6316 -1.5391 H 1 UNL1 0.1319 56 H 5.4595 -1.0263 -2.2163 H 1 UNL1 0.1270 57 H -4.0931 3.3965 -0.5096 H 1 UNL1 0.1429 58 H -2.4960 3.7237 -1.2888 H 1 UNL1 0.1451 59 H -3.6935 2.6386 -2.0956 H 1 UNL1 0.1452 60 H -0.6592 3.6218 0.0078 H 1 UNL1 0.1665 61 H 0.6401 4.3926 0.9180 H 1 UNL1 0.1549 62 H 0.2994 4.9226 -0.7400 H 1 UNL1 0.1437 63 H 5.9316 3.4030 0.3284 H 1 UNL1 0.1554 64 H 4.6639 3.8318 1.4801 H 1 UNL1 0.1612 65 H 6.2247 3.2232 2.0690 H 1 UNL1 0.1531 66 H 7.4612 -1.8157 -0.8579 H 1 UNL1 0.1557 67 H 7.9517 -0.4715 -1.9068 H 1 UNL1 0.1527 68 H 7.6566 -0.1997 -0.1793 H 1 UNL1 0.1561 @BOND 1 56 6 1 2 50 22 1 3 59 8 1 4 67 11 1 5 51 4 1 6 55 6 1 7 39 1 1 8 6 11 1 9 6 25 1 10 58 8 1 11 8 57 1 12 8 26 1 13 22 35 1 14 22 49 1 15 22 36 1 16 11 66 1 17 11 68 1 18 35 32 1 19 19 27 2 20 12 37 1 21 34 27 1 22 34 1 1 23 27 29 1 24 37 13 1 25 37 15 1 26 62 9 1 27 52 4 1 28 4 9 1 29 4 23 1 30 29 15 ar 31 29 28 ar 32 15 17 ar 33 1 28 1 34 1 2 1 35 36 33 1 36 26 18 1 37 32 18 ar 38 32 33 ar 39 28 14 ar 40 17 25 1 41 17 16 ar 42 18 30 ar 43 33 3 ar 44 9 60 1 45 9 61 1 46 14 16 ar 47 14 23 1 48 16 24 1 49 24 5 1 50 63 10 1 51 30 2 1 52 30 31 ar 53 3 41 1 54 3 31 ar 55 42 20 1 56 2 40 1 57 2 38 1 58 31 20 1 59 53 5 1 60 5 10 1 61 5 54 1 62 10 64 1 63 10 65 1 64 20 43 1 65 20 21 1 66 38 21 1 67 38 7 1 68 48 7 1 69 21 45 1 70 21 44 1 71 7 46 1 72 7 47 1