B4M8LQ -OEChem-04012118012D 40 42 0 0 0 0 0 0 0999 V2000 3.0233 -2.4707 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6284 1.3914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5990 0.8859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1098 -2.0640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9369 -2.8775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0631 0.8859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3310 0.8859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -3.3843 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9291 3.3859 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2436 0.2699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6503 1.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4650 2.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7330 2.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3310 2.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4301 -1.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5990 2.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8313 -0.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2490 0.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1503 2.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8194 2.7926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4246 -1.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8423 -0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4650 1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1971 2.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3310 3.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1971 1.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0631 2.8859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5990 3.5059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4479 -0.4743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8846 0.6670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5337 2.1143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6905 3.3991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7890 -1.9543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2257 -0.8130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9510 3.8859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3310 4.5059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7110 3.8859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3310 0.2659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9810 -3.8859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 3 23 2 0 0 0 0 6 26 2 0 0 0 0 7 23 1 0 0 0 0 7 26 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 27 3 0 0 0 0 10 11 1 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 11 19 2 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 12 23 1 0 0 0 0 13 16 1 0 0 0 0 13 20 2 0 0 0 0 14 24 2 0 0 0 0 14 25 1 0 0 0 0 15 21 2 0 0 0 0 15 22 1 0 0 0 0 16 28 1 0 0 0 0 17 21 1 0 0 0 0 17 29 1 0 0 0 0 18 22 2 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 35 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 M END $$$$