B1PQU5 -OEChem-04022100562D 53 56 0 1 0 0 0 0 0999 V2000 11.5942 0.7927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.2927 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 10.7282 -0.7073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0583 -2.2073 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 2.8273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.2927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -0.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 -0.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -0.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4603 -1.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 -0.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -2.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1923 -1.7073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1426 2.1850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7441 2.8753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 0.3177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 0.3177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 3.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 3.2676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 0.3177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 0.3177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6626 1.7676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8656 1.7676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.1380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 3.4473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.9598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 2.6256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.9127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5932 -0.5173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 1.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 -1.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 0.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9233 -2.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7292 -0.3973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3263 -2.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5953 -1.8973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0583 -2.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 3 47 1 0 0 0 0 4 28 1 0 0 0 0 4 52 1 0 0 0 0 4 53 1 0 0 0 0 5 7 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 9 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 10 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 11 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 13 2 0 0 0 0 11 14 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 15 1 0 0 0 0 12 39 1 0 0 0 0 13 16 1 0 0 0 0 13 40 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 17 19 1 0 0 0 0 17 43 1 0 0 0 0 18 20 2 0 0 0 0 18 44 1 0 0 0 0 19 21 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 48 1 0 0 0 0 25 27 2 0 0 0 0 25 49 1 0 0 0 0 26 28 2 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 M END $$$$