KS1 - Ideal conformer RDKit 3D 41 45 0 0 0 0 0 0 0 0999 V2000 -3.8090 -1.4430 1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7040 -2.6400 1.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 -2.4910 -0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9010 -1.6180 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6410 -0.6080 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 -0.0720 0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 -0.8390 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 1.2510 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6590 2.3840 -0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 3.5490 -0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 3.6660 -0.1810 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 2.5930 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 2.7230 -0.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 1.3260 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -0.0520 -0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3540 -0.4800 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3210 0.1600 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -0.2850 0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9030 0.1130 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8540 -0.6930 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3010 -1.5730 -0.2570 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9480 -1.3520 -0.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9890 -1.9280 -1.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7370 -1.5360 -0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2870 -0.8430 2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 -1.7950 1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 -3.5730 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6160 -2.6210 1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0620 -3.4660 -0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0070 -1.9880 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0140 -2.2230 -1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 -1.1020 -1.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 0.1990 0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6530 4.4460 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 3.5770 -0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9670 1.9580 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0590 0.9770 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0420 0.9030 1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9000 -0.6530 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7920 -2.2530 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 -2.0370 -1.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 1 5 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 7 15 2 0 8 9 2 0 8 14 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 16 24 1 0 17 18 1 0 18 19 1 0 18 22 2 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 10 34 1 0 13 35 1 0 13 36 1 0 17 37 1 0 19 38 1 0 20 39 1 0 21 40 1 0 24 41 1 0 M END