L42AHI -OEChem-05032300442D 77 78 0 1 0 0 0 0 0999 V2000 3.4030 1.6069 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.8351 1.9075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8566 4.8931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.7409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 2.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3703 3.5548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0155 3.6059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8931 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6393 0.6715 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7982 -0.6157 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1040 -0.9758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6761 3.1947 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3671 4.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 4.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0580 3.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6271 2.8857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1069 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3213 3.2458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 1.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5292 2.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4803 1.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0645 3.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3931 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6882 0.9805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8472 -0.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.8931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7731 2.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9735 4.2747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3022 4.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4319 4.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7606 4.2747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4916 3.4469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7480 2.6578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.2969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.7969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2414 4.1613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1924 3.8522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 2.0819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 2.0819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9096 2.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4430 1.6537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0999 1.9803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5666 2.5726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0686 0.9589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6019 0.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 -1.3105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -2.0007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4763 4.0208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1444 2.9995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -1.5831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.5131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 0.7409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -4.7031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.5131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9271 -1.2221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2590 -0.2008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2329 -1.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5144 -0.7842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 21 2 0 0 0 0 3 25 1 0 0 0 0 4 28 2 0 0 0 0 5 29 2 0 0 0 0 6 69 1 0 0 0 0 7 70 1 0 0 0 0 9 21 1 0 0 0 0 24 9 1 6 0 0 0 9 49 1 0 0 0 0 23 10 1 1 0 0 0 10 28 1 0 0 0 0 10 53 1 0 0 0 0 11 29 1 0 0 0 0 11 63 1 0 0 0 0 11 64 1 0 0 0 0 30 12 1 1 0 0 0 12 65 1 0 0 0 0 12 66 1 0 0 0 0 13 31 1 0 0 0 0 13 36 2 0 0 0 0 14 36 1 0 0 0 0 14 74 1 0 0 0 0 14 75 1 0 0 0 0 15 36 1 0 0 0 0 15 76 1 0 0 0 0 15 77 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 1 0 0 0 16 40 1 0 0 0 0 17 19 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 20 1 0 0 0 0 18 22 2 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 25 1 0 0 0 0 23 48 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 31 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 30 1 0 0 0 0 30 32 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 37 1 0 0 0 0 34 67 1 0 0 0 0 35 38 2 0 0 0 0 35 68 1 0 0 0 0 37 39 2 0 0 0 0 37 71 1 0 0 0 0 38 39 1 0 0 0 0 38 72 1 0 0 0 0 39 73 1 0 0 0 0 M END $$$$