D0QQ4Z -OEChem-10101305032D 79 81 0 1 0 0 0 0 0999 V2000 7.1104 5.1825 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.9855 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 7.3515 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 5.6195 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.5253 3.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1590 6.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0059 6.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1050 5.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 6.4855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 7.9855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3443 5.2825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2150 4.1879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2930 7.9850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1159 5.0779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0250 12.9850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2930 12.9850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4269 6.4850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3224 5.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5134 6.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8443 6.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1285 3.7813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9375 4.3690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2330 2.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2930 6.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4240 2.1989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1466 2.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1590 8.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5285 1.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9556 2.9677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5104 2.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2512 1.3854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1590 9.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7195 0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8692 2.5610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7014 2.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1647 0.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8059 1.0234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9737 1.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0250 9.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2930 9.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0250 10.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2930 10.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1590 11.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1590 12.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 6.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 6.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3945 7.1041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3872 4.8738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9424 5.4904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8234 7.4286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0118 7.2561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4294 6.6093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3427 5.7841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0637 4.3979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7346 3.1511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7134 3.8235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7560 8.2950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3710 7.9024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7696 8.5926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0949 0.9522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8908 3.5843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4456 3.2223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7496 1.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7843 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3707 2.9254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.2701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2296 0.3621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7515 5.5795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8637 4.5115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5401 1.3143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3044 0.6589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5620 9.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7560 9.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5620 11.2950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7560 11.2950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0250 13.6050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5620 12.6750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2930 13.6050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.7955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 45 1 0 0 0 0 3 45 1 0 0 0 0 4 45 1 0 0 0 0 5 22 2 0 0 0 0 6 24 2 0 0 0 0 9 46 1 0 0 0 0 9 79 1 0 0 0 0 10 46 2 0 0 0 0 11 18 1 0 0 0 0 11 20 1 0 0 0 0 11 22 1 0 0 0 0 21 12 1 1 0 0 0 12 56 1 0 0 0 0 13 24 1 0 0 0 0 13 27 1 0 0 0 0 13 57 1 0 0 0 0 14 68 1 0 0 0 0 14 69 1 0 0 0 0 15 44 1 0 0 0 0 15 76 1 0 0 0 0 15 77 1 0 0 0 0 16 44 2 0 0 0 0 16 78 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 1 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 54 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 23 55 1 0 0 0 0 25 28 2 0 0 0 0 25 30 1 0 0 0 0 26 29 2 0 0 0 0 26 31 1 0 0 0 0 27 32 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 28 33 1 0 0 0 0 28 60 1 0 0 0 0 29 34 1 0 0 0 0 29 61 1 0 0 0 0 30 35 2 0 0 0 0 30 62 1 0 0 0 0 31 36 2 0 0 0 0 31 63 1 0 0 0 0 32 39 2 0 0 0 0 32 40 1 0 0 0 0 33 37 2 0 0 0 0 33 64 1 0 0 0 0 34 38 2 0 0 0 0 34 65 1 0 0 0 0 35 37 1 0 0 0 0 35 66 1 0 0 0 0 36 38 1 0 0 0 0 36 67 1 0 0 0 0 37 71 1 0 0 0 0 38 70 1 0 0 0 0 39 41 1 0 0 0 0 39 72 1 0 0 0 0 40 42 2 0 0 0 0 40 73 1 0 0 0 0 41 43 2 0 0 0 0 41 74 1 0 0 0 0 42 43 1 0 0 0 0 42 75 1 0 0 0 0 43 44 1 0 0 0 0 45 46 1 0 0 0 0 M END $$$$