D06JWO -OEChem-04152108532D 68 69 0 0 0 0 0 0 0999 V2000 10.0498 0.5311 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.2279 4.0478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8744 10.2828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4083 11.6431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8671 6.1389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 7.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.1389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0498 2.7781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0288 6.0883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 2.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6410 1.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8317 2.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5393 4.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 0.7537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2724 3.7530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7618 5.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8317 1.1546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2513 7.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5182 7.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7256 2.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7256 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7408 8.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6317 2.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6317 1.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6963 9.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0077 9.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9189 9.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2302 10.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1858 10.6682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6075 9.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6753 12.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 6.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 6.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 6.1389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 3.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4704 2.6936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1563 2.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1563 1.2681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9680 4.6740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2029 3.9124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4704 0.6157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0749 0.1337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3331 5.1673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0982 5.9290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8226 6.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5877 7.5840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4363 5.9056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9469 7.9842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1819 7.2226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7184 3.3092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7184 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1674 2.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1674 0.8217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1508 8.5914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4152 9.2158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7757 10.7951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1858 9.1481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0620 9.1809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0292 10.0571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0970 12.7778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2208 12.7450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2536 11.8688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.5189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.2589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 6.4489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 6.3289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 2 16 2 0 0 0 0 3 28 1 0 0 0 0 3 31 1 0 0 0 0 4 30 1 0 0 0 0 4 32 1 0 0 0 0 5 35 1 0 0 0 0 5 67 1 0 0 0 0 6 36 1 0 0 0 0 6 68 1 0 0 0 0 7 35 2 0 0 0 0 8 36 2 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 10 19 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 15 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 18 1 0 0 0 0 13 21 2 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 22 2 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 23 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 24 1 0 0 0 0 21 52 1 0 0 0 0 22 25 1 0 0 0 0 22 53 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 25 2 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 26 28 1 0 0 0 0 26 56 1 0 0 0 0 27 29 2 0 0 0 0 27 57 1 0 0 0 0 28 30 2 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 33 65 1 0 0 0 0 34 36 1 0 0 0 0 34 66 1 0 0 0 0 M END $$$$