D0OH5V -OEChem-04152110113D 55 58 0 1 0 0 0 0 0999 V2000 3.4580 0.7292 -0.7276 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6002 3.2917 -0.9981 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6047 4.0085 0.5645 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2864 -2.0156 -1.9338 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0296 -0.2304 1.1966 N 0 0 2 0 0 0 0 0 0 0 0 0 -1.8631 1.1102 0.9509 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9821 -2.0756 -0.2965 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4218 -1.4077 0.3064 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9919 -3.5994 -0.2145 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0518 0.0515 0.4684 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5825 1.3631 0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8387 -0.8741 0.8667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3932 -0.2286 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1576 2.4285 0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3323 -0.7983 1.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5784 2.2262 -0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1508 0.8351 -0.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8021 -1.6790 0.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4893 -2.2633 0.8799 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1112 -0.8514 0.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7409 -2.6603 0.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4467 3.7907 0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2829 3.3352 -0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4438 4.9071 -0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7052 4.6653 -0.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1775 -3.5148 -0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1830 -1.4539 -0.9428 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5956 -3.8686 -0.6569 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5792 -2.0048 -0.7006 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6567 -3.2166 0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5321 1.8261 1.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8745 -0.1895 2.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2449 -1.8003 1.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2293 -2.9902 1.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1938 0.1623 -0.3038 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 -1.4479 -0.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9304 -3.7253 0.5416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0444 5.9143 -0.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3525 -2.3457 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3328 5.5072 -0.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0523 -3.8871 0.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5002 -4.0458 -0.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9153 1.5759 -0.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2681 -0.4507 -1.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6684 -2.0769 -1.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7122 -4.9595 -0.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7432 -3.5505 -1.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9100 4.1940 -1.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5511 -3.0262 -0.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1359 -1.3779 0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5735 -2.1251 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5228 -3.5333 1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1384 -3.2822 -1.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6884 -3.1205 0.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8053 -2.6011 -2.5431 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 43 1 0 0 0 0 2 23 1 0 0 0 0 2 48 1 0 0 0 0 3 22 2 0 0 0 0 4 29 1 0 0 0 0 4 55 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 11 1 0 0 0 0 6 31 1 0 0 0 0 7 18 2 0 0 0 0 7 26 1 0 0 0 0 8 20 1 0 0 0 0 8 27 1 0 0 0 0 8 39 1 0 0 0 0 9 30 1 0 0 0 0 9 53 1 0 0 0 0 9 54 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 2 0 0 0 0 12 19 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 15 20 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 23 2 0 0 0 0 18 21 1 0 0 0 0 19 21 2 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 24 38 1 0 0 0 0 25 40 1 0 0 0 0 26 28 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 29 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 30 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M END $$$$