D04HQC -OEChem-04152110512D 81 85 0 1 0 0 0 0 0999 V2000 9.0615 1.1285 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4752 1.9385 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 11.3986 1.0318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2852 2.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 0.1740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1712 3.6094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6651 1.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.4363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0412 -0.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 2.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1426 0.4560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2396 -0.5944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7209 2.7695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4177 -2.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8366 -1.6101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7854 2.1509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.0838 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4318 1.6128 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.6933 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.8886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 2.1166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0649 2.6151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4043 1.1380 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8069 1.9446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9422 1.1740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 1.4847 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4026 0.6767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -0.1333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7338 0.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7523 1.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4533 1.4066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0961 3.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3632 4.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0746 3.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7424 2.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6532 0.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8313 -1.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0094 -3.2301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5958 -4.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0147 -3.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7155 1.7272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5455 2.9536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6254 0.5588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9684 2.5432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 0.8916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 1.9224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9425 1.0924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9411 0.2626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.5725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3530 0.8853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1859 0.1059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 2.2738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 2.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6820 3.5628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0781 2.5662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7285 4.6995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 4.5639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9979 3.6976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.8886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6474 -0.6855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8458 1.1513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2672 3.8969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1398 0.5632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2218 -0.2296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.1986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.1986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6261 -3.1664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0935 -4.4037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9593 -4.5424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0980 -3.6766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9509 -2.7162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3980 -3.3967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0784 -3.9496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 41 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 10 2 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 23 4 1 1 0 0 0 5 27 1 0 0 0 0 5 30 1 0 0 0 0 24 6 1 1 0 0 0 6 36 1 0 0 0 0 7 32 1 0 0 0 0 28 8 1 6 0 0 0 8 62 1 0 0 0 0 9 31 1 0 0 0 0 9 67 1 0 0 0 0 11 33 2 0 0 0 0 12 41 1 0 0 0 0 12 44 1 0 0 0 0 13 40 2 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 44 2 0 0 0 0 26 16 1 6 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 30 17 1 1 0 0 0 17 35 1 0 0 0 0 17 37 1 0 0 0 0 18 33 1 0 0 0 0 18 40 1 0 0 0 0 18 68 1 0 0 0 0 19 37 2 0 0 0 0 19 38 1 0 0 0 0 20 35 2 0 0 0 0 20 43 1 0 0 0 0 21 42 1 0 0 0 0 21 43 2 0 0 0 0 22 42 1 0 0 0 0 22 73 1 0 0 0 0 22 74 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 48 1 0 0 0 0 24 26 1 0 0 0 0 24 49 1 0 0 0 0 25 31 1 6 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 1 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 34 39 2 0 0 0 0 34 61 1 0 0 0 0 35 38 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 38 42 2 0 0 0 0 39 40 1 0 0 0 0 39 69 1 0 0 0 0 41 70 1 0 0 0 0 41 71 1 0 0 0 0 43 72 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 75 1 0 0 0 0 46 76 1 0 0 0 0 46 77 1 0 0 0 0 46 78 1 0 0 0 0 47 79 1 0 0 0 0 47 80 1 0 0 0 0 47 81 1 0 0 0 0 M END $$$$