B3E1WA -OEChem-04042106033D 43 45 0 1 0 0 0 0 0999 V2000 0.6970 -1.3524 1.0687 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2686 -4.2178 0.2675 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0031 -3.6127 -1.1629 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6017 -0.8728 0.4028 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6436 0.0204 0.3561 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2716 1.1018 -0.0780 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6836 3.0694 -0.3801 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0686 2.9781 -0.2069 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8261 -1.8983 0.3507 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2787 -3.0252 -0.5159 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1378 -2.5597 -0.7878 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5209 -1.9185 0.5420 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4628 -0.7774 -0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0327 0.3141 0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6414 1.4542 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4279 0.4533 0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9489 -1.0842 0.5319 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2413 2.5295 0.5335 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7055 0.9892 0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8772 3.6484 -0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8115 2.3508 -0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5012 2.4101 -0.3247 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5378 -2.2725 1.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8517 -3.2261 -1.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1408 -1.8112 -1.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9128 -2.6435 1.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7317 -0.3302 -1.1419 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2698 -1.1888 -1.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8021 -0.1193 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2521 0.7172 1.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8722 1.9003 -1.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 1.0552 -1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1944 -4.4592 0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6258 -4.0316 -1.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3622 -2.0589 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4612 2.9495 1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 2.0851 1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6850 3.2656 -0.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1379 4.1352 -0.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2983 4.4068 0.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3809 3.0160 -0.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9118 2.4441 -0.0455 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1194 3.9688 -0.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 10 1 0 0 0 0 2 33 1 0 0 0 0 3 11 1 0 0 0 0 3 34 1 0 0 0 0 4 12 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 17 2 0 0 0 0 5 19 1 0 0 0 0 6 16 2 0 0 0 0 6 22 1 0 0 0 0 7 21 1 0 0 0 0 7 22 2 0 0 0 0 8 21 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 23 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 18 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 19 1 0 0 0 0 17 35 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 21 2 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 22 41 1 0 0 0 0 M END $$$$