D08NKL -OEChem-10101305022D 43 43 0 0 0 0 0 0 0999 V2000 4.2690 -3.7500 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 12.9972 0.2842 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 5.1350 -2.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 0.2775 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 0.7742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6155 -2.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.1350 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1331 -0.2192 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.7618 1.1454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7685 -0.5905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6270 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6270 0.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 0.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6199 1.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0688 -1.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1488 -2.6008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7130 4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0930 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 6 1 0 0 0 0 3 12 1 0 0 0 0 3 13 2 0 0 0 0 3 14 2 0 0 0 0 4 7 1 0 0 0 0 4 15 1 0 0 0 0 4 16 2 0 0 0 0 4 17 2 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 21 1 0 0 0 0 7 26 1 0 0 0 0 8 24 1 0 0 0 0 8 39 1 0 0 0 0 9 23 2 0 0 0 0 10 30 1 0 0 0 0 10 33 1 0 0 0 0 11 32 1 0 0 0 0 11 40 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 18 24 2 0 0 0 0 19 25 2 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 22 28 2 0 0 0 0 22 29 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 34 1 0 0 0 0 26 27 2 0 0 0 0 27 35 1 0 0 0 0 28 30 1 0 0 0 0 28 36 1 0 0 0 0 29 31 2 0 0 0 0 29 37 1 0 0 0 0 30 32 2 0 0 0 0 31 32 1 0 0 0 0 31 38 1 0 0 0 0 33 41 1 0 0 0 0 33 42 1 0 0 0 0 33 43 1 0 0 0 0 M CHG 4 1 1 2 1 12 -1 15 -1 M END $$$$