D02IIE -OEChem-04152122232D 42 43 0 1 0 0 0 0 0999 V2000 9.6302 -3.6222 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 9.6813 0.6411 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0163 -1.3806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3212 -2.6711 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.9685 -2.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7891 -0.1774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3778 1.2397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7303 -0.6679 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0163 1.0448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7303 0.3321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2691 -0.1679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6813 -0.9769 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7220 0.3362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7220 -0.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0781 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0781 -0.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9903 -1.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0499 0.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3442 1.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 1.9482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9329 2.9136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7056 1.6914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 3.6222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2608 3.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5990 1.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2429 -1.4153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1489 0.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4425 -0.0817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5797 0.7843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7137 0.9215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7137 -1.2573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5797 -1.1201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4425 -0.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1780 1.6433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8528 1.8511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0834 2.0590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5321 3.0729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 1.0929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 4.2207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 2.2407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 3.8047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 14 2 0 0 0 0 4 17 1 0 0 0 0 5 17 2 0 0 0 0 6 18 2 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 0 0 0 0 13 9 1 1 0 0 0 9 18 1 0 0 0 0 9 35 1 0 0 0 0 10 13 1 0 0 0 0 10 26 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 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 18 19 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 M CHG 2 1 1 4 -1 M END $$$$