LLQ95K -OEChem-05032301302D 78 81 0 1 0 0 0 0 0999 V2000 5.4641 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6477 -1.1151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1090 -2.8364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6603 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6308 -3.4945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6090 -3.7024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4398 -2.0933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3051 1.7646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3552 1.7646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4378 -0.1106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9127 0.7121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -5.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -5.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0063 -2.8377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -1.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0108 -3.4945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5660 -4.1111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4174 -4.2921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1754 -3.9546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7256 -2.7716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 24 1 0 0 0 0 2 32 1 0 0 0 0 3 23 2 0 0 0 0 4 24 2 0 0 0 0 5 29 1 0 0 0 0 5 73 1 0 0 0 0 6 31 2 0 0 0 0 7 11 1 0 0 0 0 7 24 1 0 0 0 0 7 46 1 0 0 0 0 8 14 1 0 0 0 0 17 8 1 6 0 0 0 8 52 1 0 0 0 0 9 23 1 0 0 0 0 25 9 1 1 0 0 0 9 63 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 70 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 23 1 0 0 0 0 17 47 1 0 0 0 0 18 20 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 21 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 22 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 22 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 25 59 1 0 0 0 0 27 26 1 1 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 27 60 1 0 0 0 0 28 30 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 32 33 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 34 74 1 0 0 0 0 35 37 2 0 0 0 0 35 75 1 0 0 0 0 36 38 2 0 0 0 0 36 76 1 0 0 0 0 37 38 1 0 0 0 0 37 77 1 0 0 0 0 38 78 1 0 0 0 0 M END $$$$