BAT - Ideal conformer Mrv1927 07202313373D 63 64 0 0 0 0 999 V2000 1.9290 0.5310 0.3940 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2810 -0.1340 0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2300 0.2540 -0.9370 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1290 0.6200 -3.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2750 0.9430 -4.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3640 0.4420 -5.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 -0.3400 -5.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -0.0250 1.5400 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7810 0.2510 2.8720 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7650 -0.8790 3.1770 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4310 -0.6250 4.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 -2.2110 3.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 0.6390 1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6990 0.5340 1.6910 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9900 0.7820 3.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 0.2430 5.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 -0.3780 1.1040 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4860 -0.6260 -0.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 -1.7000 -0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4340 -1.9280 -2.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 -1.0810 -3.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7380 -0.0080 -2.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0090 0.2160 -1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3940 0.6020 0.5890 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 -0.1090 1.5580 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -0.0570 4.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 -1.3320 0.2340 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 -0.0280 0.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 1.8490 1.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6600 1.7370 3.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1210 1.0970 -2.2740 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -0.4030 -3.6820 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0530 1.6060 0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -0.8190 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 0.6230 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 1.5700 -5.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4570 0.6770 -6.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -0.8080 -6.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 -1.1000 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3210 1.1960 2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0370 0.3100 3.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 -0.9170 2.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1320 -1.4310 4.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9660 0.3230 4.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6680 -0.5870 5.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 -2.1350 3.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 -2.4480 2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 -3.0000 3.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 1.4820 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 -0.5420 6.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2230 1.1980 5.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7590 0.2990 5.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7830 -1.3270 1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7520 0.1000 1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2960 -2.3610 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8200 -2.7660 -2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 -1.2590 -4.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1430 0.6530 -3.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6230 1.0550 -1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3270 1.5640 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 -1.0740 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0330 -0.8610 3.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3150 0.6690 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 8 1 0 0 0 0 1 33 1 1 0 0 0 2 24 1 0 0 0 0 2 27 2 0 0 0 0 3 31 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 37 1 0 0 0 0 7 32 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 39 1 6 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 42 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 25 1 0 0 0 0 13 29 2 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 25 1 0 0 0 0 14 49 1 6 0 0 0 15 26 1 0 0 0 0 15 30 2 0 0 0 0 16 26 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 18 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 20 21 2 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 21 57 1 0 0 0 0 22 23 2 0 0 0 0 22 58 1 0 0 0 0 23 59 1 0 0 0 0 24 28 1 0 0 0 0 24 60 1 0 0 0 0 25 61 1 0 0 0 0 26 62 1 0 0 0 0 28 63 1 0 0 0 0 M END