16590 -OEChem-03292410303D 18 17 0 0 0 0 0 0 0999 V2000 0.8651 0.9643 0.5519 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8663 0.9576 -0.5565 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8508 -0.2947 -0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8507 -0.2914 0.3056 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1806 -0.4475 0.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1796 -0.4506 -0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3499 -0.2198 -0.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3498 -0.2180 0.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3268 -1.2553 -0.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9678 -0.0078 -1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3271 -1.2527 0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 0.0038 1.3537 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1948 -0.7886 1.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1922 -0.8012 -1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2836 -0.3610 0.2874 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3981 0.1092 -1.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2826 -0.3643 -0.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3998 0.1204 1.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 7 2 0 0 0 0 5 13 1 0 0 0 0 6 8 2 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 M END > 16590 > 0.6 > 3 15 34 61 56 24 33 54 23 13 59 29 26 1 42 36 4 30 27 11 46 6 44 60 2 31 48 35 39 52 47 57 40 9 14 32 55 62 53 8 51 22 20 28 41 43 37 58 25 50 21 38 7 16 10 17 49 12 18 45 19 5 > 14 1 -0.23 13 0.15 14 0.15 15 0.15 16 0.15 17 0.15 18 0.15 2 -0.23 3 0.37 4 0.37 5 -0.29 6 -0.29 7 -0.3 8 -0.3 > 5 > 4 1 7 hydrophobe 1 8 hydrophobe 3 1 3 5 hydrophobe 3 2 4 6 hydrophobe > 8 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 000040CE00000003 > -3.6188 > 20.351 > 11062470 55 18410293613981361546 114248 4 15791735217104144502 12815109 37 18410572885639849349 170605 34 9079122162905110232 18342897 14 17703791418190231113 20201158 50 18410013230005796762 20211469 26 18202565068294545120 20281407 28 18409446985780460136 20605781 2 9511468814355489731 20719005 15 18410856563940064098 21119208 17 15647052663816942435 21293036 1 15430036560595394028 22485316 2 18410569587105102434 23402539 116 9799409988514729139 > 172.34 8.6 0.98 0.79 0 0.24 0 -2.43 0 0 0 0 0.07 0.11 > 283.36 > 119.6 > 2 5 10 $$$$