B2Q9EX -OEChem-04022115333D 50 51 0 1 0 0 0 0 0999 V2000 2.2194 -0.2857 -1.4671 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2254 -0.3043 1.4659 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8974 -0.0809 -2.7338 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1413 -1.2537 -1.3831 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9026 -0.1058 2.7341 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1559 -1.2809 1.3732 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6802 1.2358 -0.8541 N 0 0 1 0 0 0 0 0 0 0 0 0 -1.6697 1.2149 0.8681 N 0 0 1 0 0 0 0 0 0 0 0 0 0.7176 1.2290 0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7051 1.2040 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6875 2.3214 -0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6596 2.3146 0.7428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4479 -0.7640 -0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4573 -0.7601 0.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0204 3.6660 -0.9301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9735 3.6478 0.9625 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0846 -1.5151 0.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1003 -1.5058 -0.8456 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7779 -0.3865 -0.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7837 -0.3705 0.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0514 -1.8887 1.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0696 -1.8618 -1.7835 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7447 -0.7601 0.4647 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7530 -0.7264 -0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3814 -1.5112 1.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3959 -1.4720 -1.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8529 2.0909 0.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9029 0.3635 0.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8718 0.3203 -0.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8644 2.0477 -0.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1744 2.2779 0.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4596 2.2073 -1.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1456 2.2863 -0.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4352 2.2057 1.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7761 4.4579 -0.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3174 3.9162 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4718 3.6913 -1.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7168 4.4513 0.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2606 3.8898 0.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4316 3.6593 1.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0552 -1.8199 0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0741 -1.8203 -1.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 0.2008 -1.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0840 0.2130 1.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7686 -2.4732 2.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7917 -2.4421 -2.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7802 -0.4656 0.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7856 -0.4224 -0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1341 -1.8017 2.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1507 -1.7489 -2.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 8 1 0 0 0 0 2 14 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 15 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 16 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 17 2 0 0 0 0 13 19 1 0 0 0 0 14 18 2 0 0 0 0 14 20 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 21 1 0 0 0 0 17 41 1 0 0 0 0 18 22 1 0 0 0 0 18 42 1 0 0 0 0 19 23 2 0 0 0 0 19 43 1 0 0 0 0 20 24 2 0 0 0 0 20 44 1 0 0 0 0 21 25 2 0 0 0 0 21 45 1 0 0 0 0 22 26 2 0 0 0 0 22 46 1 0 0 0 0 23 25 1 0 0 0 0 23 47 1 0 0 0 0 24 26 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 M END $$$$