L3OPT2 -OEChem-05022323043D 46 49 0 1 0 0 0 0 0999 V2000 -3.9505 -3.1104 -0.5846 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.4822 -0.9951 -0.3354 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8483 -0.7275 0.3220 N 0 0 3 0 0 0 0 0 0 0 0 0 -2.7577 0.7637 0.0839 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3132 1.1097 1.2628 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6331 -1.9152 -0.3836 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7848 -1.7913 0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3551 0.5900 -0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0191 -1.2307 1.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8598 0.6833 -0.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6744 -0.1868 0.5481 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4879 -1.0132 0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 0.0068 0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4544 1.6895 -0.9623 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0661 -0.0456 0.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8454 -0.2782 0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 -2.3339 -0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2583 -1.5910 -0.2031 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8428 1.8168 -1.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6478 0.9505 -0.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3169 -2.6188 -0.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1903 1.5332 -0.9628 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0814 2.4339 -0.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1172 2.1265 0.9408 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 1.3455 -2.3519 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9141 2.7881 1.9876 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3144 -2.5003 1.3904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0822 -2.3445 -0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 0.8366 -1.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 1.3514 0.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7144 -2.0522 1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7410 -0.7773 2.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1959 1.0373 0.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8379 2.3832 -1.5285 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7034 -0.7095 1.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7379 -3.1627 -0.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2958 2.5973 -1.6137 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7284 1.0547 -0.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5965 -3.6539 -0.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6255 3.2013 -0.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6433 1.4812 -2.4269 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9806 0.3469 -2.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1973 2.0737 -3.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5201 3.6006 1.5736 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5927 2.0743 2.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2634 3.2144 2.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 6 2 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 4 22 1 0 0 0 0 5 24 2 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 15 2 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 16 1 0 0 0 0 13 33 1 0 0 0 0 14 19 1 0 0 0 0 14 34 1 0 0 0 0 15 20 1 0 0 0 0 15 35 1 0 0 0 0 16 18 2 0 0 0 0 17 21 2 0 0 0 0 17 36 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 M CHG 2 1 -1 6 1 M END $$$$