L58IUJ -OEChem-05022323002D 49 53 0 0 0 0 0 0 0999 V2000 11.5018 -3.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4639 2.8272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7697 -3.7372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0213 -0.7026 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0097 -3.7718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5806 1.3373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9037 -2.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7697 -1.7372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0097 -1.7025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6357 -2.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9037 -3.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6357 -3.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7536 -0.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1037 -2.2164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5457 -1.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1611 -0.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6517 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1037 -3.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5538 -0.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2894 -0.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1727 0.8073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4407 0.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4292 -0.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 1.3173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5921 2.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7319 2.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 2.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7435 3.8472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8833 4.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0116 3.8672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7697 -4.3572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2132 -0.3919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5618 -0.3988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5679 -1.9043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0790 -2.0465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6493 0.4521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5679 -3.5701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0919 -0.3808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2822 -1.3025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7132 1.1111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8887 -0.4763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3197 1.9373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0401 1.0336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8530 1.7374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2840 4.1510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4595 2.5635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8905 4.9771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4782 4.1834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 25 2 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 3 32 1 0 0 0 0 4 9 1 0 0 0 0 4 16 1 0 0 0 0 4 34 1 0 0 0 0 5 11 2 0 0 0 0 5 18 1 0 0 0 0 6 22 1 0 0 0 0 6 25 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 13 17 1 0 0 0 0 13 33 1 0 0 0 0 14 18 2 0 0 0 0 14 35 1 0 0 0 0 15 19 1 0 0 0 0 15 36 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 23 1 0 0 0 0 20 40 1 0 0 0 0 21 24 2 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 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 45 1 0 0 0 0 28 30 2 0 0 0 0 28 46 1 0 0 0 0 29 31 2 0 0 0 0 29 47 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 M END $$$$