D00PYB -OEChem-10101305022D 42 46 0 1 0 0 0 0 0999 V2000 2.2314 -0.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1607 -1.4511 0.0000 N 0 3 3 0 0 0 0 0 0 0 0 0 3.6897 -0.9755 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5133 -1.4511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3370 -0.9755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2392 -0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6897 -0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5918 -0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3370 -0.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 0.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 -2.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1166 -1.7445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 -2.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5133 1.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0597 -2.1022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6284 -1.7740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3760 0.3266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6795 -0.0113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2994 -2.0553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0496 -1.6875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1840 -0.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4989 0.3349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9476 -0.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5490 0.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0503 -2.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9347 -2.3372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7093 -1.9265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2986 -1.1518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 -3.4977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0503 1.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6897 2.4977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 2.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 2.9021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 16 2 0 0 0 0 3 20 1 0 0 0 0 3 22 1 0 0 0 0 4 7 1 0 0 0 0 4 11 1 0 0 0 0 4 17 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 1 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 23 1 1 0 0 0 7 12 1 0 0 0 0 7 24 1 6 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 16 1 0 0 0 0 9 28 1 1 0 0 0 10 13 2 0 0 0 0 10 15 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 19 1 0 0 0 0 14 18 2 0 0 0 0 14 33 1 0 0 0 0 15 20 2 0 0 0 0 16 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 21 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 M CHG 1 4 1 M END $$$$