EXO2778 -OEChem-04222009463D 49 52 0 1 0 0 0 0 0999 V2000 -0.3199 -2.0123 -0.6248 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.7884 -0.6506 -0.5090 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3372 1.3385 1.8914 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4125 3.0311 -0.4248 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0577 2.8540 1.3188 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7629 -0.6696 1.9658 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0372 -0.3206 1.1581 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5685 0.1646 0.8697 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0548 -1.6228 0.7170 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6658 0.5736 -0.9563 N 0 3 0 0 0 0 0 0 0 0 0 0 7.9671 -1.8890 -0.5133 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5091 -1.2768 1.0149 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9497 -1.1818 1.5668 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7222 0.3583 1.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3574 0.9069 0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2619 0.3263 -0.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -1.1636 -0.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3416 1.0672 -1.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3315 2.4211 0.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3870 -1.3238 0.9944 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3592 -1.8695 -0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1987 -0.4479 -1.6303 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2771 1.1698 0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0966 -0.7240 -0.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4470 -0.9333 -1.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5275 0.7262 0.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1150 -0.3369 -0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5721 0.3089 -1.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5914 1.2013 -1.8272 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4247 -0.8236 0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8440 0.7983 -1.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2305 -1.6009 1.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0460 -1.5818 2.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0434 -1.6766 -0.3707 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4536 -1.3141 -2.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 -2.1714 -0.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2322 0.9226 -2.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3279 2.1502 -1.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8375 -2.4382 -0.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0280 -2.5681 0.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6475 -0.8570 -2.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7674 1.9910 0.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8352 -1.7582 -1.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0182 1.2158 1.3116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5173 0.4344 -1.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4147 2.0934 -2.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7893 1.2854 -1.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8774 -2.2521 -0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5357 -2.3582 -1.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 17 1 0 0 0 0 2 24 1 0 0 0 0 2 31 1 0 0 0 0 3 14 2 0 0 0 0 4 19 1 0 0 0 0 5 19 2 0 0 0 0 6 20 2 0 0 0 0 7 30 2 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 9 36 1 0 0 0 0 10 18 1 0 0 0 0 10 22 2 0 0 0 0 10 23 1 0 0 0 0 11 30 1 0 0 0 0 11 48 1 0 0 0 0 11 49 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 20 21 1 0 0 0 0 21 24 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 25 1 0 0 0 0 22 41 1 0 0 0 0 23 26 2 0 0 0 0 23 42 1 0 0 0 0 24 28 2 0 0 0 0 25 27 2 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 44 1 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 29 31 2 0 0 0 0 29 46 1 0 0 0 0 31 47 1 0 0 0 0 M CHG 2 4 -1 10 1 M END $$$$