@MOLECULE (6ar)-1-methoxy-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinolin-2-yl beta-d-glucopyranoside 58 62 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0221 -0.4780 0.7428 O.3 1 UNL1111111111 -0.4621 2 O -1.2783 0.4940 1.8011 O.3 1 UNL1111111111 -0.3448 3 O -2.8875 2.0377 -2.3772 O.3 1 UNL1111111111 -0.5283 4 O -1.8974 2.9113 0.2360 O.3 1 UNL1111111111 -0.5402 5 O -5.3699 0.5174 -1.8543 O.3 1 UNL1111111111 -0.5427 6 O 0.8777 1.9806 1.0588 O.3 1 UNL1111111111 -0.3546 7 O -5.1428 -2.3278 1.2196 O.3 1 UNL1111111111 -0.5408 8 N 3.1547 -3.4731 -0.5361 N.3 1 UNL1111111111 -0.5303 9 C 3.1351 -2.0027 -0.6840 C.3 1 UNL1111111111 0.0597 10 C 1.9100 -1.3461 -0.0846 C.ar 1 UNL1111111111 -0.0900 11 C 4.4025 -1.4123 -0.0267 C.3 1 UNL1111111111 -0.3132 12 C 0.7622 -2.0889 0.1860 C.ar 1 UNL1111111111 0.0161 13 C 1.9744 0.0320 0.1924 C.ar 1 UNL1111111111 -0.0379 14 C -3.4020 1.6922 -1.1060 C.3 1 UNL1111111111 0.0722 15 C -2.1631 1.5976 -0.2021 C.3 1 UNL1111111111 0.0429 16 C 0.6822 -3.5546 -0.1095 C.3 1 UNL1111111111 -0.3251 17 C -4.1205 0.3324 -1.2374 C.3 1 UNL1111111111 0.0341 18 C -2.4471 0.7756 1.0769 C.3 1 UNL1111111111 0.2699 19 C 1.8654 -4.0414 -0.9707 C.3 1 UNL1111111111 -0.1025 20 C -4.2909 -0.3591 0.1254 C.3 1 UNL1111111111 0.0200 21 C 4.4067 0.0705 -0.2148 C.ar 1 UNL1111111111 0.0206 22 C 3.1897 0.7723 -0.1460 C.ar 1 UNL1111111111 -0.0379 23 C 0.8745 0.6315 0.8101 C.ar 1 UNL1111111111 0.1189 24 C -0.2721 -0.1252 1.0975 C.ar 1 UNL1111111111 0.1399 25 C -0.3454 -1.4720 0.7776 C.ar 1 UNL1111111111 -0.2103 26 C -4.7492 -1.8169 -0.0338 C.3 1 UNL1111111111 -0.0140 27 C 5.5947 0.7488 -0.4730 C.ar 1 UNL1111111111 -0.1841 28 C 3.1773 2.1410 -0.4212 C.ar 1 UNL1111111111 -0.1045 29 C 5.5760 2.1239 -0.7020 C.ar 1 UNL1111111111 -0.1281 30 C 4.3676 2.8146 -0.6914 C.ar 1 UNL1111111111 -0.1752 31 C 1.0888 2.2833 2.4391 C.3 1 UNL1111111111 -0.1878 32 H 3.1562 -1.7829 -1.7903 H 1 UNL1111111111 0.1649 33 H 5.3005 -1.8900 -0.4691 H 1 UNL1111111111 0.1688 34 H 4.4326 -1.6576 1.0550 H 1 UNL1111111111 0.1605 35 H -4.0835 2.5042 -0.7682 H 1 UNL1111111111 0.1429 36 H -1.2948 1.2009 -0.7793 H 1 UNL1111111111 0.1698 37 H 0.6529 -4.1193 0.8462 H 1 UNL1111111111 0.1563 38 H -0.2719 -3.7930 -0.6225 H 1 UNL1111111111 0.1595 39 H -3.5822 -0.3203 -1.9681 H 1 UNL1111111111 0.1769 40 H -3.0662 1.3081 1.8323 H 1 UNL1111111111 0.1497 41 H 3.3615 -3.7421 0.4260 H 1 UNL1111111111 0.2563 42 H -4.9809 0.1997 0.7948 H 1 UNL1111111111 0.1382 43 H 1.9454 -5.1486 -0.9373 H 1 UNL1111111111 0.1385 44 H 1.7028 -3.7702 -2.0375 H 1 UNL1111111111 0.1478 45 H -1.2546 -2.0326 0.9936 H 1 UNL1111111111 0.1837 46 H -3.9504 -2.4550 -0.4541 H 1 UNL1111111111 0.1339 47 H -5.6621 -1.8919 -0.6554 H 1 UNL1111111111 0.1575 48 H 6.5369 0.2064 -0.5056 H 1 UNL1111111111 0.1529 49 H 2.2351 2.6922 -0.4381 H 1 UNL1111111111 0.1737 50 H -3.6123 2.0356 -3.0404 H 1 UNL1111111111 0.3219 51 H -0.9622 2.9541 0.5583 H 1 UNL1111111111 0.3427 52 H -5.9785 1.0445 -1.2968 H 1 UNL1111111111 0.3168 53 H 6.5054 2.6530 -0.9007 H 1 UNL1111111111 0.1460 54 H 4.3482 3.8826 -0.8968 H 1 UNL1111111111 0.1503 55 H -4.4053 -2.2265 1.8617 H 1 UNL1111111111 0.3258 56 H 2.0653 1.9096 2.7631 H 1 UNL1111111111 0.1360 57 H 0.2837 1.8667 3.0537 H 1 UNL1111111111 0.1433 58 H 1.0680 3.3793 2.4499 H 1 UNL1111111111 0.1456 @BOND 1 1 18 1 2 1 20 1 3 2 18 1 4 2 24 1 5 3 14 1 6 3 50 1 7 4 15 1 8 4 51 1 9 5 17 1 10 5 52 1 11 6 23 1 12 6 31 1 13 7 26 1 14 7 55 1 15 8 9 1 16 8 19 1 17 8 41 1 18 9 10 1 19 9 11 1 20 9 32 1 21 10 12 ar 22 10 13 ar 23 11 21 1 24 11 33 1 25 11 34 1 26 12 16 1 27 12 25 ar 28 13 22 1 29 13 23 ar 30 14 15 1 31 14 17 1 32 14 35 1 33 15 18 1 34 15 36 1 35 16 19 1 36 16 37 1 37 16 38 1 38 17 20 1 39 17 39 1 40 18 40 1 41 19 43 1 42 19 44 1 43 20 26 1 44 20 42 1 45 21 22 ar 46 21 27 ar 47 22 28 ar 48 23 24 ar 49 24 25 ar 50 25 45 1 51 26 46 1 52 26 47 1 53 27 29 ar 54 27 48 1 55 28 30 ar 56 28 49 1 57 29 30 ar 58 29 53 1 59 30 54 1 60 31 56 1 61 31 57 1 62 31 58 1