L3GHB8 -OEChem-05022323282D 54 58 0 0 0 0 0 0 0999 V2000 8.9962 -1.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4734 3.2176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8109 -2.3041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8327 -2.0962 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3144 1.9305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.3983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6418 -0.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -1.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8497 0.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3109 -1.4381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1065 0.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8007 0.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0086 1.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2176 -3.2176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2655 2.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.1017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5713 2.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.3983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2607 -0.1267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4637 -0.1267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9275 -1.3733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5169 0.7608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2615 0.1774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5983 1.7620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6512 -3.4698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4698 -3.7840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7840 -2.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.5183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 -0.9117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 0.7083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.7217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9862 3.0604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1105 3.0145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1564 2.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 2.2083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 3.0183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 3.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.2563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 2.2312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.5654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 2 19 2 0 0 0 0 3 4 1 0 0 0 0 3 11 1 0 0 0 0 3 18 1 0 0 0 0 4 8 2 0 0 0 0 5 12 1 0 0 0 0 5 19 1 0 0 0 0 5 26 1 0 0 0 0 6 16 2 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 10 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 13 17 2 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 22 2 0 0 0 0 14 23 1 0 0 0 0 15 24 2 0 0 0 0 15 25 1 0 0 0 0 16 27 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 20 21 1 0 0 0 0 20 28 1 0 0 0 0 20 29 2 0 0 0 0 21 30 2 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 23 25 2 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 29 31 1 0 0 0 0 29 51 1 0 0 0 0 30 32 1 0 0 0 0 30 52 1 0 0 0 0 31 32 2 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 M END $$$$