L2KAY1 -OEChem-05022322132D 78 79 0 1 0 0 0 0 0999 V2000 6.8671 -6.5223 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.9777 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.1972 1.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1972 1.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.0223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.0223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.5223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.9777 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.0223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.5223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9456 6.0123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.0223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.0223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.4777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 3.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.0223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 -3.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 4.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9572 5.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9572 2.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 4.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -5.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8632 4.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8632 3.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.9777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -5.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8058 6.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0738 6.5023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 0.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8637 1.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0666 1.4527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.4023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -3.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -3.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 0.0028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 0.0028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -4.4972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -4.4972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.7123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -3.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6772 -2.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 -1.9146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9500 2.3231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 5.5977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.7877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3990 4.8106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -3.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -3.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3990 3.1448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 -4.9397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 -5.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1220 5.9890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3391 6.8385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4896 7.0556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3776 7.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5334 6.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7701 5.9618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -2.2123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 39 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 10 1 0 0 0 0 2 19 1 0 0 0 0 5 24 2 0 0 0 0 6 33 2 0 0 0 0 7 34 2 0 0 0 0 8 38 1 0 0 0 0 8 74 1 0 0 0 0 9 38 2 0 0 0 0 17 10 1 6 0 0 0 10 46 1 0 0 0 0 11 24 1 0 0 0 0 11 29 1 0 0 0 0 11 55 1 0 0 0 0 21 12 1 6 0 0 0 12 33 1 0 0 0 0 12 56 1 0 0 0 0 13 27 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 36 1 0 0 0 0 14 42 2 0 0 0 0 15 42 1 0 0 0 0 15 75 1 0 0 0 0 15 76 1 0 0 0 0 16 42 1 0 0 0 0 16 77 1 0 0 0 0 16 78 1 0 0 0 0 17 18 1 0 0 0 0 17 24 1 0 0 0 0 17 43 1 0 0 0 0 18 25 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 28 2 0 0 0 0 20 23 2 0 0 0 0 20 30 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 21 47 1 0 0 0 0 22 26 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 27 1 0 0 0 0 23 31 1 0 0 0 0 25 38 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 36 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 35 2 0 0 0 0 28 32 1 0 0 0 0 28 54 1 0 0 0 0 29 33 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 37 2 0 0 0 0 30 59 1 0 0 0 0 31 32 2 0 0 0 0 31 60 1 0 0 0 0 32 61 1 0 0 0 0 34 39 1 0 0 0 0 35 37 1 0 0 0 0 35 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 37 65 1 0 0 0 0 39 66 1 0 0 0 0 39 67 1 0 0 0 0 40 68 1 0 0 0 0 40 69 1 0 0 0 0 40 70 1 0 0 0 0 41 71 1 0 0 0 0 41 72 1 0 0 0 0 41 73 1 0 0 0 0 M END $$$$