CQY Converted by convert_cif2sdf.py 2024/03/29 11:09:15 56 59 0 0 0 0 0 0 0 0999 V2000 6.8156 1.3023 -1.9773 C 0 0 0 0 0 6.3974 -0.0809 -1.4760 C 0 0 0 0 0 4.9888 -1.0783 0.1580 C 0 0 0 0 0 4.0871 -1.0948 1.1925 C 0 0 0 0 0 4.7851 -3.3480 0.4105 C 0 0 0 0 0 5.3585 -2.3422 -0.2562 C 0 0 0 0 0 3.5321 0.0493 1.8190 C 0 0 0 0 0 1.5959 1.3538 2.5680 C 0 0 0 0 0 0.4587 1.8081 1.6470 C 0 0 0 0 0 0.1860 -0.4278 0.7486 C 0 0 0 0 0 1.3112 -0.9737 1.6334 C 0 0 0 0 0 -1.6066 1.1111 0.7358 C 0 0 0 0 0 -1.7262 2.4373 0.3371 C 0 0 0 0 0 -2.8455 2.8508 -0.3599 C 0 0 0 0 0 -3.8480 1.9494 -0.6619 C 0 0 0 0 0 -3.7344 0.6230 -0.2647 C 0 0 0 0 0 -2.6113 0.2029 0.4340 C 0 0 0 0 0 -5.3867 -0.8025 0.6600 C 0 0 0 0 0 -5.7798 -2.2665 0.3872 C 0 0 0 0 0 -5.2977 -2.5519 -1.0538 C 0 0 0 0 0 -4.2019 -1.4774 -1.2717 C 0 0 0 0 0 2.1996 0.1388 1.9991 N 0 0 0 0 0 -0.4722 0.6923 1.4352 N 0 0 0 0 0 -4.7481 -0.2875 -0.5709 N 0 0 0 0 0 -5.0448 2.3981 -1.4085 N 0 3 0 0 0 5.4623 0.0633 -0.4047 O 0 0 0 0 0 4.2597 0.9511 2.1935 O 0 0 0 0 0 -5.9725 1.6298 -1.5894 O 0 0 0 0 0 -5.1021 3.5353 -1.8408 O 0 5 0 0 0 3.7303 -2.7641 1.6166 S 0 0 0 0 0 5.9372 1.8405 -2.3320 H 0 0 0 0 0 7.2790 1.8597 -1.1631 H 0 0 0 0 0 7.5284 1.1923 -2.7943 H 0 0 0 0 0 5.9341 -0.6384 -2.2902 H 0 0 0 0 0 7.2766 -0.6200 -1.1200 H 0 0 0 0 0 4.9663 -4.3936 0.2122 H 0 0 0 0 0 6.0606 -2.5058 -1.0610 H 0 0 0 0 0 2.3478 2.1396 2.6356 H 0 0 0 0 0 1.2016 1.1366 3.5608 H 0 0 0 0 0 -0.0712 2.6419 2.1072 H 0 0 0 0 0 0.8706 2.1249 0.6883 H 0 0 0 0 0 0.6020 -0.0812 -0.1964 H 0 0 0 0 0 -0.5422 -1.2165 0.5587 H 0 0 0 0 0 0.8875 -1.4162 2.5351 H 0 0 0 0 0 1.8733 -1.7299 1.0850 H 0 0 0 0 0 -0.9454 3.1447 0.5718 H 0 0 0 0 0 -2.9362 3.8821 -0.6696 H 0 0 0 0 0 -2.5204 -0.8273 0.7435 H 0 0 0 0 0 -6.2766 -0.2162 0.8897 H 0 0 0 0 0 -4.6833 -0.7564 1.4911 H 0 0 0 0 0 -5.2794 -2.9302 1.0922 H 0 0 0 0 0 -6.8609 -2.3867 0.4541 H 0 0 0 0 0 -4.8755 -3.5541 -1.1285 H 0 0 0 0 0 -6.1116 -2.4215 -1.7666 H 0 0 0 0 0 -3.2602 -1.7911 -0.8199 H 0 0 0 0 0 -4.0685 -1.2742 -2.3343 H 0 0 0 0 0 27 7 2 0 0 0 1 2 1 0 0 0 26 2 1 0 0 0 26 3 1 0 0 0 9 8 1 0 0 0 9 23 1 0 0 0 7 4 1 0 0 0 7 22 1 0 0 0 8 22 1 0 0 0 3 4 2 0 0 0 3 6 1 0 0 0 4 30 1 0 0 0 22 11 1 0 0 0 23 10 1 0 0 0 23 12 1 0 0 0 6 5 2 0 0 0 10 11 1 0 0 0 30 5 1 0 0 0 12 17 2 0 0 0 12 13 1 0 0 0 18 19 1 0 0 0 18 24 1 0 0 0 17 16 1 0 0 0 13 14 2 0 0 0 16 24 1 0 0 0 16 15 2 0 0 0 14 15 1 0 0 0 19 20 1 0 0 0 24 21 1 0 0 0 15 25 1 0 0 0 28 25 2 0 0 0 25 29 1 0 0 0 20 21 1 0 0 0 1 31 1 0 0 0 1 32 1 0 0 0 1 33 1 0 0 0 2 34 1 0 0 0 2 35 1 0 0 0 5 36 1 0 0 0 6 37 1 0 0 0 8 38 1 0 0 0 8 39 1 0 0 0 9 40 1 0 0 0 9 41 1 0 0 0 10 42 1 0 0 0 10 43 1 0 0 0 11 44 1 0 0 0 11 45 1 0 0 0 13 46 1 0 0 0 14 47 1 0 0 0 17 48 1 0 0 0 18 49 1 0 0 0 18 50 1 0 0 0 19 51 1 0 0 0 19 52 1 0 0 0 20 53 1 0 0 0 20 54 1 0 0 0 21 55 1 0 0 0 21 56 1 0 0 0 M END $$$$