D01306 -OEChem-05252109552D 47 50 0 1 0 0 0 0 0999 V2000 7.7809 0.0781 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1159 -1.9436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4208 -3.2341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0681 -2.6989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8887 -0.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0037 1.6711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8299 -1.2309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1159 0.4818 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7122 2.3767 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8299 -0.2309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3687 -0.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7809 -1.5399 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8216 -0.2267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8216 -1.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1777 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1777 -1.3187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0899 -2.4910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1495 0.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4438 0.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6023 1.9209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4558 0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4942 2.3731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3318 1.8267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5486 3.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2237 2.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4406 3.8238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 3.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6986 0.6089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3425 -1.9783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0606 0.3453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5422 -0.6447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6793 0.2213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8133 0.3585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8133 -1.8202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6793 -1.6831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5422 -0.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2776 1.0804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6124 -3.8238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4482 0.1717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7174 -0.6628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5518 -0.3935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2981 1.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0293 3.7103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7430 1.9401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4743 4.4428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8311 3.5577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 14 2 0 0 0 0 3 17 1 0 0 0 0 3 39 1 0 0 0 0 4 17 2 0 0 0 0 5 18 2 0 0 0 0 6 9 1 0 0 0 0 6 21 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 13 8 1 1 0 0 0 8 18 1 0 0 0 0 8 38 1 0 0 0 0 9 20 2 0 0 0 0 10 13 1 0 0 0 0 10 29 1 6 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 6 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 27 2 0 0 0 0 25 44 1 0 0 0 0 26 28 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 M END $$$$