@MOLECULE (5s,11as)-5-(3,4,5-trimethoxyphenyl)-5,6,11,11a-tetrahydro-1h-[1,3]oxazolo[3',4':1,6]pyrido[3,4-b]indol-3-one 51 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.0149 4.0495 0.5724 O.3 1 UNL1111111111 -0.3776 2 O 1.5192 3.0161 -0.7120 O.2 1 UNL1111111111 -0.4448 3 O 2.1044 -0.7763 2.4646 O.3 1 UNL1111111111 -0.3364 4 O 3.7230 -1.0365 -2.1426 O.3 1 UNL1111111111 -0.2988 5 O 4.1643 -1.6016 0.6840 O.3 1 UNL1111111111 -0.3305 6 N -0.7209 2.3149 -0.7146 N.am 1 UNL1111111111 -0.5417 7 N -2.0369 -1.1204 -1.4650 N.ar 1 UNL1111111111 -0.3655 8 C -1.9250 2.7076 0.0518 C.3 1 UNL1111111111 0.0579 9 C -0.5461 0.9460 -1.2376 C.3 1 UNL1111111111 0.1192 10 C -2.5137 1.6058 0.9577 C.3 1 UNL1111111111 -0.2879 11 C -1.7135 0.0917 -0.8567 C.ar 1 UNL1111111111 0.0464 12 C -2.6149 0.3710 0.1601 C.ar 1 UNL1111111111 -0.1158 13 C -1.4095 3.9239 0.8632 C.3 1 UNL1111111111 -0.0794 14 C -3.5480 -0.7125 0.2158 C.ar 1 UNL1111111111 -0.0734 15 C 0.7129 0.2749 -0.7145 C.ar 1 UNL1111111111 0.0139 16 C 0.3897 3.0728 -0.3153 C.2 1 UNL1111111111 0.6992 17 C -3.1527 -1.6404 -0.8055 C.ar 1 UNL1111111111 0.1079 18 C -4.6638 -1.0033 1.0068 C.ar 1 UNL1111111111 -0.1099 19 C 1.7070 -0.0921 -1.6105 C.ar 1 UNL1111111111 -0.2553 20 C 0.8373 -0.0018 0.6473 C.ar 1 UNL1111111111 -0.2604 21 C -3.8514 -2.8340 -1.0310 C.ar 1 UNL1111111111 -0.2109 22 C -5.3498 -2.1821 0.7796 C.ar 1 UNL1111111111 -0.1914 23 C 1.9965 -0.6193 1.1074 C.ar 1 UNL1111111111 0.2095 24 C 2.8742 -0.7189 -1.1371 C.ar 1 UNL1111111111 0.2304 25 C -4.9468 -3.0863 -0.2276 C.ar 1 UNL1111111111 -0.1148 26 C 3.0378 -0.9632 0.2324 C.ar 1 UNL1111111111 -0.0123 27 C 2.1552 -2.1434 2.8699 C.3 1 UNL1111111111 -0.1945 28 C 4.9536 -1.6672 -1.8122 C.3 1 UNL1111111111 -0.1925 29 C 4.9827 -0.7538 1.4946 C.3 1 UNL1111111111 -0.2063 30 H -2.7017 3.0140 -0.6964 H 1 UNL1111111111 0.1584 31 H -0.4892 1.0611 -2.3628 H 1 UNL1111111111 0.1731 32 H -3.4998 1.9235 1.3508 H 1 UNL1111111111 0.1585 33 H -1.8731 1.4357 1.8512 H 1 UNL1111111111 0.1672 34 H -1.8706 4.8754 0.5563 H 1 UNL1111111111 0.1458 35 H -1.4792 3.7995 1.9549 H 1 UNL1111111111 0.1489 36 H -1.4947 -1.5881 -2.1545 H 1 UNL1111111111 0.3218 37 H -4.9753 -0.3087 1.7821 H 1 UNL1111111111 0.1507 38 H 1.6267 0.1245 -2.6745 H 1 UNL1111111111 0.1814 39 H 0.0480 0.2548 1.3505 H 1 UNL1111111111 0.1813 40 H -3.5407 -3.5264 -1.8051 H 1 UNL1111111111 0.1581 41 H -6.2199 -2.4298 1.3838 H 1 UNL1111111111 0.1503 42 H -5.5202 -4.0021 -0.3662 H 1 UNL1111111111 0.1490 43 H 1.2282 -2.6530 2.5890 H 1 UNL1111111111 0.1325 44 H 2.2419 -2.0638 3.9598 H 1 UNL1111111111 0.1440 45 H 3.0254 -2.6531 2.4437 H 1 UNL1111111111 0.1434 46 H 5.5810 -1.0027 -1.2110 H 1 UNL1111111111 0.1400 47 H 5.3963 -1.8333 -2.8027 H 1 UNL1111111111 0.1433 48 H 4.7821 -2.6184 -1.2970 H 1 UNL1111111111 0.1434 49 H 5.2973 0.1309 0.9327 H 1 UNL1111111111 0.1351 50 H 5.8356 -1.3983 1.7313 H 1 UNL1111111111 0.1400 51 H 4.4506 -0.4569 2.4058 H 1 UNL1111111111 0.1497 @BOND 1 1 13 1 2 1 16 1 3 2 16 2 4 3 23 1 5 3 27 1 6 4 24 1 7 4 28 1 8 5 26 1 9 5 29 1 10 6 8 1 11 6 9 1 12 6 16 am 13 7 11 ar 14 7 17 ar 15 7 36 1 16 8 10 1 17 8 13 1 18 8 30 1 19 9 11 1 20 9 15 1 21 9 31 1 22 10 12 1 23 10 32 1 24 10 33 1 25 11 12 ar 26 12 14 ar 27 13 34 1 28 13 35 1 29 14 17 ar 30 14 18 ar 31 15 19 ar 32 15 20 ar 33 17 21 ar 34 18 22 ar 35 18 37 1 36 19 24 ar 37 19 38 1 38 20 23 ar 39 20 39 1 40 21 25 ar 41 21 40 1 42 22 25 ar 43 22 41 1 44 23 26 ar 45 24 26 ar 46 25 42 1 47 27 43 1 48 27 44 1 49 27 45 1 50 28 46 1 51 28 47 1 52 28 48 1 53 29 49 1 54 29 50 1 55 29 51 1