D00XHC -OEChem-10101305022D 45 47 0 0 0 0 0 0 0999 V2000 4.6660 -2.8054 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.6946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0080 1.1343 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.8054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3653 1.9004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9929 1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3349 2.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6356 0.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7073 2.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3805 1.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -0.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 -2.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 -2.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9758 2.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7808 0.7253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9175 2.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5469 2.8303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2728 2.3373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7699 1.6190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4881 1.1161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2899 2.6280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9193 3.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1247 3.0521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1607 0.1434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0342 0.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1106 0.9404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7523 2.4597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -0.1508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.1508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4188 -3.4600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.4600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -0.9725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.9725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -2.6383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.6383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 7 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 8 37 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 15 1 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 15 19 2 0 0 0 0 16 20 1 0 0 0 0 16 38 1 0 0 0 0 17 21 1 0 0 0 0 17 39 1 0 0 0 0 18 23 1 0 0 0 0 18 40 1 0 0 0 0 19 22 1 0 0 0 0 19 41 1 0 0 0 0 20 23 2 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 45 1 0 0 0 0 23 44 1 0 0 0 0 M END $$$$