LIQL20 -OEChem-05022321252D 59 62 0 1 0 0 0 0 0999 V2000 8.4752 2.2720 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 10.1980 2.4500 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 5.9405 0.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.7698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 1.0119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3695 0.4993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 1.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5328 0.2681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1109 2.0417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2852 2.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0615 1.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6063 3.3629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 3.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7897 1.5372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.7504 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7006 2.7183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.3598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 1.8182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4026 1.0102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9422 1.5075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 0.2002 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8337 2.2198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0400 1.2413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0343 1.1350 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4426 2.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7523 2.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9209 2.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 2.2558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 1.5631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 1.2251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.2390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8024 2.8390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2612 0.6621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6535 1.1664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9790 1.7370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8079 2.5488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 2.6073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 2.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7665 3.3348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2685 3.1415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4757 3.0596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 3.2298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.5494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.5551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5601 -0.0907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1528 0.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8084 0.8960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2428 3.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 13 2 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 12 1 0 0 0 0 2 14 2 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 21 4 1 6 0 0 0 4 50 1 0 0 0 0 22 5 1 6 0 0 0 5 51 1 0 0 0 0 26 6 1 6 0 0 0 6 53 1 0 0 0 0 7 29 1 0 0 0 0 27 8 1 6 0 0 0 8 54 1 0 0 0 0 9 30 1 0 0 0 0 11 56 1 0 0 0 0 12 57 1 0 0 0 0 24 15 1 1 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 25 1 0 0 0 0 16 28 1 0 0 0 0 16 47 1 0 0 0 0 17 32 2 0 0 0 0 17 33 1 0 0 0 0 18 31 2 0 0 0 0 18 35 1 0 0 0 0 19 34 1 0 0 0 0 19 35 2 0 0 0 0 20 34 1 0 0 0 0 20 58 1 0 0 0 0 20 59 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 29 1 1 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 30 1 1 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 31 33 1 0 0 0 0 32 52 1 0 0 0 0 33 34 2 0 0 0 0 35 55 1 0 0 0 0 M END $$$$