B3Z1TS -OEChem-04022105172D 41 42 0 0 0 0 0 0 0999 V2000 4.7796 0.7853 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.3080 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.3080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9706 2.1865 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.6920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4432 1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4487 1.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9487 2.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4378 1.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3387 0.4294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5478 2.4184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 1.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3554 3.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2274 2.8557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -1.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -1.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3729 0.7028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0544 1.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5026 1.9360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7221 0.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2739 -0.1872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9553 0.3646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1644 2.3536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6126 3.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9312 2.4832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9218 3.0558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6076 3.8744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7890 3.5602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6423 3.3164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 3.2705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8126 2.3949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.4980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -1.4980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -3.1180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -3.1180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 6 1 0 0 0 0 2 16 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 6 13 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 9 2 0 0 0 0 9 14 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 18 20 2 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 M END $$$$