B81NIO -OEChem-04042103053D 55 58 0 1 0 0 0 0 0999 V2000 4.7455 0.9407 -0.7389 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1354 -0.6523 0.5357 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3515 -3.1106 1.8226 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3392 -4.1553 0.2632 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3792 3.3852 -1.4413 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0329 -1.3198 -0.3647 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2247 -0.3111 -1.9557 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7918 -2.5818 0.7371 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9544 -2.2036 -0.3288 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2210 -0.7576 -2.2167 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0029 3.4688 0.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3066 -2.7184 0.4514 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9129 -2.9184 -0.1097 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4630 -1.2044 0.3905 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1660 -1.7182 0.4630 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0399 -0.7165 -0.9315 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3218 -1.7374 -0.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0253 -0.4648 -1.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0447 -1.1008 -1.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2124 1.8950 -0.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3925 3.2637 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4109 -1.3597 -1.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1193 4.1054 -0.2235 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1234 -2.7541 0.5889 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1729 3.1561 -0.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2430 2.5236 0.5612 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5803 2.6759 0.1948 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9101 1.7761 1.6907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5847 2.0806 0.9581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9144 1.1808 2.4539 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2518 1.3330 2.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0741 -3.2855 -0.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9393 -2.8657 -1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0610 -0.8511 1.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7762 -1.9016 1.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3025 -0.7107 -1.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8694 -1.3623 -1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2545 -2.9449 2.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9341 -4.8582 -0.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8753 0.0112 -1.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9415 2.0165 -1.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3932 1.3819 -0.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6838 3.1319 0.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1985 3.8199 -0.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2888 5.0532 0.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8729 4.3448 -1.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5924 -3.4240 1.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8182 -0.1254 -2.8951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2113 -0.9605 -2.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0751 3.3298 1.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8601 3.2563 -0.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1194 1.6045 1.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6259 2.1975 0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6551 0.5902 3.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0334 0.8661 2.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 20 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 12 1 0 0 0 0 3 38 1 0 0 0 0 4 13 1 0 0 0 0 4 39 1 0 0 0 0 5 25 2 0 0 0 0 6 15 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 18 2 0 0 0 0 7 19 1 0 0 0 0 8 17 2 0 0 0 0 8 24 1 0 0 0 0 9 22 1 0 0 0 0 9 24 2 0 0 0 0 10 22 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 23 1 0 0 0 0 11 25 1 0 0 0 0 11 50 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 18 40 1 0 0 0 0 19 22 2 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 23 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 51 1 0 0 0 0 28 30 2 0 0 0 0 28 52 1 0 0 0 0 29 31 2 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 M END $$$$