@MOLECULE [(1r)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid 42 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.2802 -0.7751 -0.8909 O.3 1 UNL1111111111 -0.3911 2 O 4.3314 1.4877 0.6073 O.3 1 UNL1111111111 -0.5695 3 O 4.3644 -0.5845 1.4253 O.2 1 UNL1111111111 -0.5067 4 N -0.8530 0.8492 0.2616 N.ar 1 UNL1111111111 -0.3714 5 C 1.6103 0.3059 -0.2645 C.3 1 UNL1111111111 0.2927 6 C 0.1666 -0.0320 -0.0970 C.ar 1 UNL1111111111 -0.0012 7 C -0.3449 -1.3102 -0.2637 C.ar 1 UNL1111111111 -0.0843 8 C 0.5060 -2.4513 -0.6486 C.3 1 UNL1111111111 -0.2922 9 C 1.8540 1.4907 -1.2179 C.3 1 UNL1111111111 -0.2781 10 C 2.2379 0.5613 1.1330 C.3 1 UNL1111111111 -0.4168 11 C -1.7551 -1.2405 -0.0237 C.ar 1 UNL1111111111 -0.0757 12 C 1.9773 -2.0733 -0.4046 C.3 1 UNL1111111111 -0.0313 13 C -2.0483 0.1276 0.2896 C.ar 1 UNL1111111111 0.0811 14 C -3.3558 0.5604 0.5738 C.ar 1 UNL1111111111 -0.0417 15 C 1.1806 1.2658 -2.5678 C.3 1 UNL1111111111 -0.4312 16 C -2.7941 -2.1778 -0.0421 C.ar 1 UNL1111111111 -0.1209 17 C 3.7180 0.3684 1.0808 C.2 1 UNL1111111111 0.6723 18 C -3.6422 1.9970 0.8761 C.3 1 UNL1111111111 -0.2570 19 C -4.3525 -0.3968 0.5429 C.ar 1 UNL1111111111 -0.1525 20 C -4.0759 -1.7487 0.2407 C.ar 1 UNL1111111111 -0.1790 21 C -3.6622 2.8194 -0.4157 C.3 1 UNL1111111111 -0.4300 22 H 0.2446 -3.3670 -0.0824 H 1 UNL1111111111 0.1567 23 H 0.3443 -2.6979 -1.7205 H 1 UNL1111111111 0.1619 24 H 2.9498 1.6155 -1.3609 H 1 UNL1111111111 0.1710 25 H 1.5011 2.4290 -0.7554 H 1 UNL1111111111 0.1380 26 H 1.9824 1.5809 1.4844 H 1 UNL1111111111 0.1834 27 H 1.8034 -0.1417 1.8788 H 1 UNL1111111111 0.1924 28 H 2.2486 -2.1417 0.6636 H 1 UNL1111111111 0.1340 29 H 2.6729 -2.6934 -1.0003 H 1 UNL1111111111 0.1449 30 H -0.7694 1.8334 0.3515 H 1 UNL1111111111 0.3150 31 H 1.5245 0.3259 -3.0236 H 1 UNL1111111111 0.1629 32 H 0.0908 1.1924 -2.4759 H 1 UNL1111111111 0.1469 33 H 1.4071 2.0765 -3.2676 H 1 UNL1111111111 0.1410 34 H -2.5815 -3.2169 -0.2761 H 1 UNL1111111111 0.1537 35 H -4.6150 2.1017 1.4004 H 1 UNL1111111111 0.1496 36 H -2.8925 2.4050 1.5834 H 1 UNL1111111111 0.1404 37 H -5.3823 -0.1134 0.7528 H 1 UNL1111111111 0.1506 38 H -4.9014 -2.4576 0.2329 H 1 UNL1111111111 0.1500 39 H -2.7104 2.7556 -0.9535 H 1 UNL1111111111 0.1420 40 H -3.8668 3.8757 -0.2130 H 1 UNL1111111111 0.1429 41 H -4.4395 2.4558 -1.1002 H 1 UNL1111111111 0.1531 42 H 5.3118 1.3965 0.5290 H 1 UNL1111111111 0.3540 @BOND 1 1 5 1 2 1 12 1 3 2 17 1 4 2 42 1 5 3 17 2 6 4 6 ar 7 4 13 ar 8 4 30 1 9 5 6 1 10 5 9 1 11 5 10 1 12 6 7 ar 13 7 8 1 14 7 11 ar 15 8 12 1 16 8 22 1 17 8 23 1 18 9 15 1 19 9 24 1 20 9 25 1 21 10 17 1 22 10 26 1 23 10 27 1 24 11 13 ar 25 11 16 ar 26 12 28 1 27 12 29 1 28 13 14 ar 29 14 18 1 30 14 19 ar 31 15 31 1 32 15 32 1 33 15 33 1 34 16 20 ar 35 16 34 1 36 18 21 1 37 18 35 1 38 18 36 1 39 19 20 ar 40 19 37 1 41 20 38 1 42 21 39 1 43 21 40 1 44 21 41 1