BJC6R7 -OEChem-04012116582D 46 49 0 1 0 0 0 0 0999 V2000 5.0032 -0.9575 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3848 1.6874 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8953 3.8034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -0.0065 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 0.5813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 0.3025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8021 2.0238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7176 3.7112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 -0.9575 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0032 -1.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0522 -1.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8692 -2.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1372 -2.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8692 -3.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1372 -3.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5352 1.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 -3.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4712 1.2807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2802 2.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3021 2.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0234 3.3511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9744 3.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1823 2.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1334 1.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6686 3.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8765 2.4240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8606 -0.6769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -1.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2438 -1.8562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4062 -2.1475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6003 -2.1475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4062 -3.7675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6003 -3.7675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1417 1.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4063 1.8871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9288 1.1518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0032 -4.5775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1855 1.9590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8945 3.9575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7216 1.6490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2623 1.1484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1294 3.8170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4662 2.2324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 16 2 0 0 0 0 4 23 2 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 16 1 0 0 0 0 6 13 2 0 0 0 0 7 13 1 0 0 0 0 7 21 2 0 0 0 0 8 21 1 0 0 0 0 8 23 1 0 0 0 0 8 41 1 0 0 0 0 9 25 1 0 0 0 0 9 28 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 14 17 1 0 0 0 0 14 33 1 0 0 0 0 15 18 2 0 0 0 0 15 34 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 35 1 0 0 0 0 18 20 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 29 2 0 0 0 0 27 44 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 M END $$$$