-INDIGO-01000000002D 61 60 0 0 1 0 0 0 0 0999 V2000 2.6755 -8.2622 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5416 -8.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4076 -8.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2736 -8.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1397 -8.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 7.0057 -8.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8717 -8.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7378 -8.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6038 -8.2622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4699 -8.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3360 -8.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2020 -8.7621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0681 -8.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9341 -8.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8002 -8.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6662 -8.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5322 -8.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3983 -8.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2643 -8.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1303 -8.7621 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 16.5322 -7.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3983 -6.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3983 -5.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2643 -5.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2643 -4.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1303 -3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5322 -5.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6662 -5.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8002 -5.2620 0.0000 C 0 0 2 0 0 0 0 0 0 0 1 0 13.9341 -5.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0681 -5.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2020 -5.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3360 -5.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4699 -5.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8002 -4.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9341 -3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9341 -2.7620 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 13.0681 -4.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6038 -7.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7378 -6.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7378 -5.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2020 -9.7621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4076 -7.2621 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 18.2643 -7.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1303 -6.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9963 -7.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8624 -6.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7284 -7.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5944 -6.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4604 -7.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3265 -6.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1925 -7.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0585 -6.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9245 -7.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7906 -6.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6566 -7.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5226 -6.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3886 -7.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5944 -5.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0585 -5.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7906 -5.7621 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 17 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 23 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 29 35 1 6 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 31 38 1 0 0 0 0 9 39 1 1 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 12 42 1 6 0 0 0 3 43 1 0 0 0 0 7 6 1 0 0 0 0 22 44 1 0 0 0 0 44 45 2 3 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 4 0 0 0 0 49 50 1 0 0 0 -1 50 51 2 0 0 0 0 51 52 1 0 0 0 4 52 53 1 0 0 0 0 53 54 1 0 0 0 8 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 49 59 1 0 0 0 0 53 60 1 0 0 0 0 55 61 1 0 0 0 0 M CHG 1 27 2 M RAD 1 24 1 M ISO 1 21 13 A 59 CYC M STY 2 2 DAT 3 DAT M SPL 1 3 2 M SLB 2 2 2 3 3 M SAL 2 8 1 2 3 4 5 6 7 8 M SAL 2 8 9 10 11 12 13 14 15 16 M SAL 2 8 17 18 19 20 21 22 23 24 M SAL 2 8 25 26 27 28 29 30 31 32 M SAL 2 8 33 34 35 36 37 38 39 40 M SAL 2 8 41 42 43 44 45 46 47 48 M SAL 2 8 49 50 51 52 53 54 55 56 M SAL 2 5 57 58 59 60 61 M SDT 2 MDLBG_FRAGMENT_STEREO F M SDD 2 9.2156 -3.3377 DR ALL 1 1 M SED 2 abs M SAL 3 1 9 M SDT 3 Purity M SDD 3 -2.1546 -1.3607 DR ALL 1 1 M SED 3 Purity = 50% M RGP 2 20 2 37 1 M END Check query for atom 0 returns 0 Check query for atom 1 returns 0 Check query for atom 2 returns 0 Check query for atom 3 returns 0 Check query for atom 4 returns 1 Check query for atom 5 returns 0 Check query for atom 6 returns 0 Check query for atom 7 returns 0 Check query for atom 8 returns 0 Check query for atom 9 returns 0 Check query for atom 10 returns 0 Check query for atom 11 returns 0 Check query for atom 12 returns 0 Check query for atom 13 returns 0 Check query for atom 14 returns 0 Check query for atom 15 returns 0 Check query for atom 16 returns 0 Check query for atom 17 returns 0 Check query for atom 18 returns 0 Check query for atom 19 returns 0 Check query for atom 20 returns 0 Check query for atom 21 returns 0 Check query for atom 22 returns 0 Check query for atom 23 returns 0 Check query for atom 24 returns 0 Check query for atom 25 returns 0 Check query for atom 26 returns 0 Check query for atom 27 returns 0 Check query for atom 28 returns 1 Check query for atom 29 returns 0 Check query for atom 30 returns 0 Check query for atom 31 returns 0 Check query for atom 32 returns 0 Check query for atom 33 returns 0 Check query for atom 34 returns 0 Check query for atom 35 returns 0 Check query for atom 36 returns 0 Check query for atom 37 returns 0 Check query for atom 38 returns 0 Check query for atom 39 returns 0 Check query for atom 40 returns 0 Check query for atom 41 returns 0 Check query for atom 42 returns 0 Check query for atom 43 returns 0 Check query for atom 44 returns 0 Check query for atom 45 returns 0 Check query for atom 46 returns 0 Check query for atom 47 returns 0 Check query for atom 48 returns 0 Check query for atom 49 returns 0 Check query for atom 50 returns 0 Check query for atom 51 returns 0 Check query for atom 52 returns 0 Check query for atom 53 returns 0 Check query for atom 54 returns 0 Check query for atom 55 returns 0 Check query for atom 56 returns 0 Check query for atom 57 returns 0 Check query for atom 58 returns 0 Check query for atom 59 returns 0 Check query for atom 60 returns 0 Check query for bond 0 returns 0 Check query for bond 1 returns 0 Check query for bond 2 returns 0 Check query for bond 3 returns 0 Check query for bond 4 returns 0 Check query for bond 5 returns 0 Check query for bond 6 returns 0 Check query for bond 7 returns 0 Check query for bond 8 returns 0 Check query for bond 9 returns 0 Check query for bond 10 returns 0 Check query for bond 11 returns 0 Check query for bond 12 returns 0 Check query for bond 13 returns 0 Check query for bond 14 returns 0 Check query for bond 15 returns 0 Check query for bond 16 returns 0 Check query for bond 17 returns 0 Check query for bond 18 returns 0 Check query for bond 19 returns 0 Check query for bond 20 returns 0 Check query for bond 21 returns 0 Check query for bond 22 returns 0 Check query for bond 23 returns 0 Check query for bond 24 returns 0 Check query for bond 25 returns 0 Check query for bond 26 returns 0 Check query for bond 27 returns 0 Check query for bond 28 returns 0 Check query for bond 29 returns 0 Check query for bond 30 returns 0 Check query for bond 31 returns 0 Check query for bond 32 returns 0 Check query for bond 33 returns 0 Check query for bond 34 returns 0 Check query for bond 35 returns 0 Check query for bond 36 returns 0 Check query for bond 37 returns 0 Check query for bond 38 returns 0 Check query for bond 39 returns 0 Check query for bond 40 returns 0 Check query for bond 41 returns 0 Check query for bond 42 returns 0 Check query for bond 43 returns 0 Check query for bond 44 returns 0 Check query for bond 45 returns 0 Check query for bond 46 returns 0 Check query for bond 47 returns 0 Check query for bond 48 returns 1 Check query for bond 49 returns 0 Check query for bond 50 returns 1 Check query for bond 51 returns 0 Check query for bond 52 returns 1 Check query for bond 53 returns 0 Check query for bond 54 returns 0 Check query for bond 55 returns 0 Check query for bond 56 returns 0 Check query for bond 57 returns 0 Check query for bond 58 returns 0 Check query for bond 59 returns 0 -INDIGO-01000000002D 61 60 0 0 1 0 0 0 0 0999 V2000 2.6755 -8.2622 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5416 -8.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4076 -8.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2736 -8.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1397 -8.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 1 7.0057 -8.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8717 -8.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7378 -8.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6038 -8.2622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4699 -8.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3360 -8.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2020 -8.7621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0681 -8.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9341 -8.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8002 -8.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6662 -8.7621 0.0000 C 0 0 0 3 0 0 0 0 0 0 0 0 16.5322 -8.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3983 -8.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2643 -8.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1303 -8.7621 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 16.5322 -7.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3983 -6.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3983 -5.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2643 -5.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2643 -4.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1303 -3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5322 -5.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6662 -5.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8002 -5.2620 0.0000 C 0 0 2 0 0 0 0 0 0 0 1 0 13.9341 -5.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0681 -5.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2020 -5.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3360 -5.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4699 -5.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8002 -4.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9341 -3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9341 -2.7620 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 13.0681 -4.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6038 -7.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7378 -6.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7378 -5.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2020 -9.7621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4076 -7.2621 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 18.2643 -7.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1303 -6.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9963 -7.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8624 -6.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7284 -7.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5944 -6.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4604 -7.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3265 -6.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1925 -7.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0585 -6.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9245 -7.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7906 -6.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6566 -7.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5226 -6.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3886 -7.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5944 -5.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0585 -5.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7906 -5.7621 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 17 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 23 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 29 35 1 6 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 31 38 1 0 0 0 0 9 39 1 1 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 12 42 1 6 0 0 0 3 43 1 0 0 0 0 7 6 1 0 0 0 0 22 44 1 0 0 0 0 44 45 2 3 0 0 0 45 46 1 0 0 2 0 46 47 1 0 0 0 0 47 48 1 0 0 1 0 48 49 4 0 0 0 0 49 50 1 0 0 0 -1 50 51 2 0 0 0 0 51 52 1 0 0 0 4 52 53 1 0 0 0 0 53 54 1 0 0 0 8 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 49 59 1 0 0 0 0 53 60 1 0 0 0 0 55 61 1 0 0 0 0 M CHG 1 27 2 M RAD 1 24 1 M ISO 1 21 13 M UNS 1 4 1 M RBC 1 33 -2 A 59 CYC M STY 2 2 DAT 3 DAT M SPL 1 3 2 M SLB 2 2 2 3 3 M SAL 2 8 1 2 3 4 5 6 7 8 M SAL 2 8 9 10 11 12 13 14 15 16 M SAL 2 8 17 18 19 20 21 22 23 24 M SAL 2 8 25 26 27 28 29 30 31 32 M SAL 2 8 33 34 35 36 37 38 39 40 M SAL 2 8 41 42 43 44 45 46 47 48 M SAL 2 8 49 50 51 52 53 54 55 56 M SAL 2 5 57 58 59 60 61 M SDT 2 MDLBG_FRAGMENT_STEREO F M SDD 2 9.2156 -3.3377 DR ALL 1 1 M SED 2 abs M SAL 3 1 9 M SDT 3 Purity M SDD 3 -2.1546 -1.3607 DR ALL 1 1 M SED 3 Purity = 50% M RGP 2 20 2 37 1 M END Check query for atom 0 returns 1 Check query for atom 1 returns 1 Check query for atom 2 returns 1 Check query for atom 3 returns 1 Check query for atom 4 returns 1 Check query for atom 5 returns 1 Check query for atom 6 returns 1 Check query for atom 7 returns 1 Check query for atom 8 returns 1 Check query for atom 9 returns 1 Check query for atom 10 returns 1 Check query for atom 11 returns 1 Check query for atom 12 returns 1 Check query for atom 13 returns 1 Check query for atom 14 returns 1 Check query for atom 15 returns 1 Check query for atom 16 returns 1 Check query for atom 17 returns 1 Check query for atom 18 returns 1 Check query for atom 19 returns 1 Check query for atom 20 returns 1 Check query for atom 21 returns 1 Check query for atom 22 returns 1 Check query for atom 23 returns 1 Check query for atom 24 returns 1 Check query for atom 25 returns 1 Check query for atom 26 returns 1 Check query for atom 27 returns 1 Check query for atom 28 returns 1 Check query for atom 29 returns 1 Check query for atom 30 returns 1 Check query for atom 31 returns 1 Check query for atom 32 returns 1 Check query for atom 33 returns 1 Check query for atom 34 returns 1 Check query for atom 35 returns 1 Check query for atom 36 returns 1 Check query for atom 37 returns 1 Check query for atom 38 returns 1 Check query for atom 39 returns 1 Check query for atom 40 returns 1 Check query for atom 41 returns 1 Check query for atom 42 returns 1 Check query for atom 43 returns 1 Check query for atom 44 returns 1 Check query for atom 45 returns 1 Check query for atom 46 returns 1 Check query for atom 47 returns 1 Check query for atom 48 returns 1 Check query for atom 49 returns 1 Check query for atom 50 returns 1 Check query for atom 51 returns 1 Check query for atom 52 returns 1 Check query for atom 53 returns 1 Check query for atom 54 returns 1 Check query for atom 55 returns 1 Check query for atom 56 returns 1 Check query for atom 57 returns 1 Check query for atom 58 returns 1 Check query for atom 59 returns 1 Check query for atom 60 returns 1 Check query for bond 0 returns 1 Check query for bond 1 returns 1 Check query for bond 2 returns 1 Check query for bond 3 returns 1 Check query for bond 4 returns 1 Check query for bond 5 returns 1 Check query for bond 6 returns 1 Check query for bond 7 returns 1 Check query for bond 8 returns 1 Check query for bond 9 returns 1 Check query for bond 10 returns 1 Check query for bond 11 returns 1 Check query for bond 12 returns 1 Check query for bond 13 returns 1 Check query for bond 14 returns 1 Check query for bond 15 returns 1 Check query for bond 16 returns 1 Check query for bond 17 returns 1 Check query for bond 18 returns 1 Check query for bond 19 returns 1 Check query for bond 20 returns 1 Check query for bond 21 returns 1 Check query for bond 22 returns 1 Check query for bond 23 returns 1 Check query for bond 24 returns 1 Check query for bond 25 returns 1 Check query for bond 26 returns 1 Check query for bond 27 returns 1 Check query for bond 28 returns 1 Check query for bond 29 returns 1 Check query for bond 30 returns 1 Check query for bond 31 returns 1 Check query for bond 32 returns 1 Check query for bond 33 returns 1 Check query for bond 34 returns 1 Check query for bond 35 returns 1 Check query for bond 36 returns 1 Check query for bond 37 returns 1 Check query for bond 38 returns 1 Check query for bond 39 returns 1 Check query for bond 40 returns 1 Check query for bond 41 returns 1 Check query for bond 42 returns 1 Check query for bond 43 returns 1 Check query for bond 44 returns 1 Check query for bond 45 returns 1 Check query for bond 46 returns 1 Check query for bond 47 returns 1 Check query for bond 48 returns 1 Check query for bond 49 returns 1 Check query for bond 50 returns 1 Check query for bond 51 returns 1 Check query for bond 52 returns 1 Check query for bond 53 returns 1 Check query for bond 54 returns 1 Check query for bond 55 returns 1 Check query for bond 56 returns 1 Check query for bond 57 returns 1 Check query for bond 58 returns 1 Check query for bond 59 returns 1 c1[n]([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2c(c([n+](c[n]2)[O-])N)[n]1 -INDIGO-01000000002D 20 22 0 0 1 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 4 0 0 0 0 2 3 4 0 0 0 0 3 4 4 0 0 0 0 4 5 1 0 0 0 0 4 6 4 0 0 0 0 6 7 1 0 0 0 0 6 8 4 0 0 0 0 8 9 4 0 0 0 0 9 10 4 0 0 0 0 10 3 4 0 0 0 0 10 11 4 0 0 0 0 11 1 4 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 17 20 1 0 0 0 0 20 12 1 0 0 0 0 M CHG 2 6 1 7 -1 M END Check query for atom 0 returns 0 Check query for atom 1 returns 0 Check query for atom 2 returns 0 Check query for atom 3 returns 0 Check query for atom 4 returns 0 Check query for atom 5 returns 0 Check query for atom 6 returns 0 Check query for atom 7 returns 0 Check query for atom 8 returns 0 Check query for atom 9 returns 0 Check query for atom 10 returns 0 Check query for atom 11 returns 0 Check query for atom 12 returns 0 Check query for atom 13 returns 0 Check query for atom 14 returns 0 Check query for atom 15 returns 0 Check query for atom 16 returns 0 Check query for atom 17 returns 0 Check query for atom 18 returns 0 Check query for atom 19 returns 0 Check query for bond 0 returns 0 Check query for bond 1 returns 0 Check query for bond 2 returns 0 Check query for bond 3 returns 0 Check query for bond 4 returns 0 Check query for bond 5 returns 0 Check query for bond 6 returns 0 Check query for bond 7 returns 0 Check query for bond 8 returns 0 Check query for bond 9 returns 0 Check query for bond 10 returns 0 Check query for bond 11 returns 0 Check query for bond 12 returns 0 Check query for bond 13 returns 0 Check query for bond 14 returns 0 Check query for bond 15 returns 0 Check query for bond 16 returns 0 Check query for bond 17 returns 0 Check query for bond 18 returns 0 Check query for bond 19 returns 0 Check query for bond 20 returns 0 Check query for bond 21 returns 0