B2TNJ4 -OEChem-04022100172D 74 78 0 1 0 0 0 0 0999 V2000 3.8000 3.2673 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.2282 2.1334 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.1301 -1.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 1.2673 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9962 0.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.2327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.7327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7282 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2282 2.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2282 0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2282 2.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2282 0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7282 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.2673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2641 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.7327 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3981 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 3.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3482 1.2673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3359 2.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6456 2.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6456 0.1893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3359 -0.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9403 -0.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3388 0.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2607 2.2423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4637 2.2423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8108 2.3454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1206 2.7439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1206 -0.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8108 0.1893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4637 -0.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2607 -0.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7841 1.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3856 1.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2032 0.8688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2032 1.6659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 0.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8747 1.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4762 1.8499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 0.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -2.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 -0.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 -0.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -3.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2675 -3.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 -3.7076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 3.0773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 3.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1291 1.4573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -3.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 5 1 0 0 0 0 3 19 2 0 0 0 0 4 23 2 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 20 7 1 6 0 0 0 7 23 1 0 0 0 0 7 60 1 0 0 0 0 8 22 1 0 0 0 0 8 27 1 0 0 0 0 8 64 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 38 1 0 0 0 0 10 14 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 15 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 16 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 17 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 18 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 18 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 57 1 0 0 0 0 21 24 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 22 61 1 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 25 26 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 28 1 0 0 0 0 26 31 2 0 0 0 0 27 28 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 32 2 0 0 0 0 29 33 1 0 0 0 0 29 67 1 0 0 0 0 30 34 2 0 0 0 0 30 68 1 0 0 0 0 31 35 1 0 0 0 0 31 69 1 0 0 0 0 32 36 1 0 0 0 0 32 70 1 0 0 0 0 33 37 2 0 0 0 0 33 71 1 0 0 0 0 34 37 1 0 0 0 0 34 72 1 0 0 0 0 35 36 2 0 0 0 0 35 73 1 0 0 0 0 36 74 1 0 0 0 0 M CHG 2 2 -1 5 1 M END $$$$