L9KTA3 -OEChem-05032300472D 53 55 0 1 0 0 0 0 0999 V2000 6.4504 1.6098 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 6.8134 3.3034 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.1765 4.9970 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.8055 -1.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1515 -2.9352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1552 -0.7596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7577 0.6582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.4086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1430 2.5614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4020 1.9172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4988 1.3025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4838 4.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0714 3.9738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5554 2.6330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8691 5.9486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1280 5.3044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2249 4.6896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -3.6039 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0812 -5.2133 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4030 -4.9086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.4086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3919 -2.6534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3435 -2.3460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3452 -1.3460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3947 -1.0353 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0873 -0.0837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6648 -4.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3919 -6.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7794 -2.7493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2454 -2.9582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2493 -0.7335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7825 -0.9373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7065 0.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5394 -0.3739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2848 -4.4086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7183 -2.6840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7212 -1.0128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8026 -6.3565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5845 -6.7532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9812 -5.9713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.7886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8620 1.5016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4814 3.7833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2847 6.4086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5881 4.8887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 2 14 2 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 3 17 2 0 0 0 0 4 22 1 0 0 0 0 4 25 1 0 0 0 0 23 5 1 1 0 0 0 5 41 1 0 0 0 0 24 6 1 1 0 0 0 6 42 1 0 0 0 0 7 26 1 0 0 0 0 8 31 2 0 0 0 0 10 50 1 0 0 0 0 13 51 1 0 0 0 0 15 52 1 0 0 0 0 16 53 1 0 0 0 0 22 18 1 6 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 19 28 2 0 0 0 0 19 29 1 0 0 0 0 19 32 1 0 0 0 0 20 31 1 0 0 0 0 20 33 1 0 0 0 0 20 47 1 0 0 0 0 21 33 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 23 24 1 0 0 0 0 23 35 1 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 25 26 1 6 0 0 0 25 37 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 40 1 0 0 0 0 29 31 1 0 0 0 0 30 33 2 0 0 0 0 30 43 1 0 0 0 0 32 44 1 0 0 0 0 32 45 1 0 0 0 0 32 46 1 0 0 0 0 M CHG 1 19 1 M END $$$$