HTS2204-03747961 45 47 0 0 0 0 0 0 0 0999 V2000 0.4419 -1.9771 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7716 -1.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7716 0.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0216 -3.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9851 -1.9771 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5216 -3.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0707 1.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5275 1.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8264 1.9046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0707 7.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8600 -4.6171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0707 5.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3696 7.9047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0707 2.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -5.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3519 -4.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3696 4.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7716 4.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7716 7.9047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3696 3.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7716 3.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2335 -5.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1317 -7.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 -7.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5052 -8.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7716 9.4047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9970 -8.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8743 -3.8890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5903 0.8546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3467 -6.0502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5959 -3.9123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8892 5.2047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 5.2046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8892 3.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 3.1046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8302 -5.6114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8876 -7.7493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6706 -8.8346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9659 -8.5209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3625 9.5089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7716 10.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1807 9.5089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0388 -7.5024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5937 -8.0382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1624 -8.6777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 4 2 0 0 0 0 7 3 2 0 0 0 0 8 3 1 0 0 0 0 9 8 3 0 0 0 0 10 12 1 0 0 0 0 11 4 1 0 0 0 0 12 18 1 0 0 0 0 13 10 2 0 0 0 0 14 7 1 0 0 0 0 15 11 2 0 0 0 0 16 11 1 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 19 10 1 0 0 0 0 20 14 2 0 0 0 0 21 14 1 0 0 0 0 22 16 2 0 0 0 0 23 15 1 0 0 0 0 24 22 1 0 0 0 0 25 24 1 0 0 0 0 26 19 1 0 0 0 0 27 25 1 0 0 0 0 5 6 1 0 0 0 0 23 24 2 0 0 0 0 17 12 2 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 M END >HTS2204-03747961-01 > Namiki2204 > NS-017839598-0000 > C22H18N2O2S > 374.463 > 0 > 0 > 4 > 0 > 62.9800 > -8.8539 > -1.5635 > -3.991 > 3.136 > -4.768 > CCc1ccc(c3csc(C(=Cc2ccc(C(OC)=O)cc2)C#N)n3)cc1 > 72165868 44614796 $$$$