BS0JQ7 -OEChem-04022110392D 53 54 0 0 0 0 0 0 0999 V2000 2.9848 -3.7237 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1777 -2.4577 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5197 -1.5180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1733 0.7087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8111 -4.7085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1585 -2.7389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1174 -2.7997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2380 -2.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8270 2.9354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8118 3.1090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1386 4.2224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5110 4.8148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8356 -3.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 -3.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7017 -3.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 -4.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5045 -1.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8313 -0.2310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1321 -1.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8465 -0.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7017 -4.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8356 -5.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1473 -2.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1581 0.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4741 -0.9970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5002 1.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7749 -2.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4850 1.9957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1538 4.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2386 -3.5874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4327 -5.2074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1077 -2.9395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -3.4424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 -4.1607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4480 0.0703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9352 -2.6930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2386 -5.2074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8356 -6.0174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1581 0.2623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7687 0.7747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0847 -0.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5002 2.4420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8896 1.9297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4850 1.3757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0956 1.8880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2999 -3.1013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1734 -3.1777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2498 -2.3042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3507 4.8050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5372 3.7474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7231 5.3974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9005 4.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 14 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 13 1 0 0 0 0 3 17 1 0 0 0 0 4 18 1 0 0 0 0 4 25 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 30 2 0 0 0 0 11 30 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 12 30 1 0 0 0 0 12 52 1 0 0 0 0 12 53 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 15 22 1 0 0 0 0 15 31 1 0 0 0 0 16 23 1 0 0 0 0 16 32 1 0 0 0 0 17 21 1 0 0 0 0 17 24 2 0 0 0 0 18 21 2 0 0 0 0 18 26 1 0 0 0 0 19 24 1 0 0 0 0 19 26 2 0 0 0 0 19 28 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 37 1 0 0 0 0 25 27 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 26 42 1 0 0 0 0 27 29 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 M END $$$$