mol_R MOE2022 3D 55 59 0 0 1 0 0 0 0 0999 V2000 1.8430 3.9110 0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 3.0050 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 1.8370 0.7780 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 1.7040 1.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2700 2.6180 1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 1.4190 2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 0.5870 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7280 0.8360 -0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 1.8370 -1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2500 -0.1980 -1.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6150 -0.0020 -2.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2990 -1.4870 -0.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8160 -2.4870 -1.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8150 -3.8560 -1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2650 -4.4870 -2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 -4.1790 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3890 -3.9390 -0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8390 -1.7460 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8840 -2.7470 0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3220 -0.7060 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9690 -0.9010 2.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 0.9630 0.9500 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0990 0.7160 2.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 0.5160 2.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 1.5510 2.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -0.5510 2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 -0.2950 2.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 -1.1350 3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3240 -1.2490 1.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -2.6690 0.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -3.0190 0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 -3.2860 1.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 -2.6260 0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 -2.4640 -0.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -2.3610 -1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3950 -2.4360 -1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5580 -2.3090 -2.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 -2.5730 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7290 -2.5430 -1.1380 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.2930 -2.7400 0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1440 -2.8450 1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9990 -2.7680 1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8430 -2.9000 2.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -0.4310 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6660 -0.7810 -0.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 1.7860 0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 1.5010 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6860 0.5710 0.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0670 2.4300 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1150 2.2290 -0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4960 3.6230 -1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2780 4.5220 -1.6600 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 3.9170 -0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 4.8460 -1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 2.9730 -0.1680 C 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 2 55 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 20 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 18 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 29 44 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 33 42 2 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 44 45 2 0 0 0 0 46 47 1 0 0 0 0 46 55 2 0 0 0 0 47 48 1 0 0 0 0 47 49 2 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 2 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 M END > S $$$$ mol_S MOE2022 3D 55 59 0 0 1 0 0 0 0 0999 V2000 1.5220 4.2070 -0.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8070 3.3300 -0.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 2.1770 0.1270 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 2.0740 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 2.8760 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7910 2.2270 1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3560 0.7600 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4390 0.3940 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0560 1.0430 -1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0160 -0.8170 -1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 -1.1020 -2.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5220 -1.6610 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0790 -2.8500 -0.9960 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 -3.7890 -0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1420 -4.6210 -0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0650 -4.1830 0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5910 -3.3030 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 -1.3010 0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8540 -1.9350 1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8780 -0.0900 1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8290 0.1840 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 1.3310 0.6670 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1330 -0.0450 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 -0.2520 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -0.1100 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -1.0520 1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -1.9280 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 -1.3960 0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -0.3420 2.3320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -0.9630 3.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.3600 4.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -1.9070 3.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 -1.1770 4.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 -0.1350 4.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 0.8000 4.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0350 -0.3160 4.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5900 0.4650 5.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6300 -1.5450 4.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9270 -1.7250 5.0670 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9400 -2.5950 4.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4240 -3.5210 3.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 -2.4050 3.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0670 -3.1950 3.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2890 0.9840 2.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 1.7830 3.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 2.1600 0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 1.9160 0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6960 1.0370 1.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3350 2.8540 0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3690 2.7000 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9040 4.0060 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 4.9050 -0.8900 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 4.2630 -0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 5.1470 -1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 3.3150 -0.3080 C 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 2 55 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 20 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 18 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 29 44 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 33 42 2 0 0 0 0 34 35 1 0 0 0 0 34 36 2 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 44 45 2 0 0 0 0 46 47 1 0 0 0 0 46 55 2 0 0 0 0 47 48 1 0 0 0 0 47 49 2 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 2 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 M END > R $$$$