B8TJ3E -OEChem-04012114463D 57 60 0 1 0 0 0 0 0999 V2000 -7.6827 0.2507 -0.2267 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5777 1.2788 -1.4682 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8144 0.1012 0.1064 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8826 2.2815 0.6171 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7251 -1.7781 1.0767 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5415 -0.7394 -0.8175 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8838 -2.0971 -0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6669 -2.9266 0.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7937 -0.0044 -1.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7608 -3.2250 -0.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0730 -4.2372 0.9602 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2747 1.7726 0.8824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7402 1.5135 0.5974 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8856 1.0477 -0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3263 2.3703 0.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5758 3.5906 0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 3.6776 0.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6261 1.8320 0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5709 0.1400 0.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8104 0.4598 0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7275 -0.3713 0.7221 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1426 -0.1007 0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1091 0.4563 -0.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3925 -0.1032 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4988 -1.2082 1.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 -1.2355 0.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3933 0.4371 -1.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9363 -1.7906 0.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6599 -0.1385 -1.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9314 -1.2537 -0.6047 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9122 -0.8981 -1.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5311 -1.9346 0.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4718 -2.6894 -0.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0913 -2.3460 1.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0497 0.0361 1.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5300 0.9555 -1.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3229 -0.6075 -2.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9493 -3.9020 -0.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2875 -2.3172 -1.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3171 -3.7000 -1.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1926 -4.7907 1.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7062 -4.0412 1.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6332 -4.8800 0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1927 1.1282 1.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8871 2.6455 1.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3440 4.3514 0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3289 4.5849 -0.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4510 2.5115 0.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4102 -0.5148 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8416 -1.4445 0.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4555 0.7111 -0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8896 1.3121 -1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8231 -1.6970 1.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1919 1.3101 -1.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1744 -2.6647 0.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4306 0.2817 -2.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9170 -1.7092 -0.6296 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 51 1 0 0 0 0 2 14 2 0 0 0 0 3 6 1 0 0 0 0 3 14 1 0 0 0 0 3 35 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 5 25 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 34 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 14 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 18 20 2 0 0 0 0 18 48 1 0 0 0 0 19 21 2 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 24 26 1 0 0 0 0 24 27 2 0 0 0 0 25 53 1 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 54 1 0 0 0 0 28 30 1 0 0 0 0 28 55 1 0 0 0 0 29 30 2 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 M END $$$$