B0IM5G -OEChem-04012116182D 109107 0 0 0 0 0 0 0999 V2000 14.1491 -3.3269 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9027 4.2285 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0190 -5.8544 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7314 1.8288 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.8812 -9.3269 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1410 8.7473 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.6132 -7.3269 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5552 9.3073 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.7472 -10.8269 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.7241 10.8269 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 19.3453 -7.3269 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 10.0415 10.2269 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 1.8756 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.2870 -5.8611 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 11.6343 4.1885 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 15.0152 -1.8269 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 12.4171 -6.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4396 4.3086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6687 -3.2923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1228 1.2374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1491 -4.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0485 4.7484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8870 -6.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5836 1.3056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4171 -3.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0022 2.7489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0152 -8.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1179 7.7476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7472 -7.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4094 8.7874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1491 -2.3269 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.1491 -3.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1491 -3.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7570 3.7086 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.4226 5.0828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3828 3.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1511 -5.3578 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.5224 -6.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5157 -4.9865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8792 2.3520 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.2082 0.9766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2546 2.6810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7472 -9.8269 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.3812 -10.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3812 -8.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1641 9.7471 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.1407 8.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1413 8.7705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4793 -6.8269 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 18.1132 -8.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1132 -6.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7010 9.8272 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.0751 10.1615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0353 8.4531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9599 -1.2724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5511 -4.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2707 2.7890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5511 -5.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4164 3.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6571 -4.2922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 1.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2831 -5.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3169 4.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4171 -4.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1480 3.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2831 -4.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1712 4.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1491 -6.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3400 5.7882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6571 -6.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4950 2.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7511 -4.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3526 1.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7511 -5.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4628 1.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8085 -2.7823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1113 0.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8201 -1.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9714 -0.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1491 -7.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2174 6.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0152 -5.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4858 6.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0152 -7.8269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2405 7.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6918 -1.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8432 0.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8812 -7.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3863 7.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8812 -6.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5089 7.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7034 -0.2925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6643 -6.9815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9691 3.1517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2153 -4.4940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3407 0.6207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1992 -2.6676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5897 -3.3625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5020 0.3522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8925 -0.3426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6122 -7.6369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7470 5.9457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0152 -5.2069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9418 6.0106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2251 -1.6086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8504 0.8374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4181 -6.0169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9793 7.6302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2439 0.0112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 31 1 0 0 0 0 1 32 2 0 0 0 0 1 33 2 0 0 0 0 2 22 1 0 0 0 0 2 34 1 0 0 0 0 2 35 2 0 0 0 0 2 36 2 0 0 0 0 3 23 1 0 0 0 0 3 37 1 0 0 0 0 3 38 2 0 0 0 0 3 39 2 0 0 0 0 4 24 1 0 0 0 0 4 40 1 0 0 0 0 4 41 2 0 0 0 0 4 42 2 0 0 0 0 5 27 1 0 0 0 0 5 43 1 0 0 0 0 5 44 2 0 0 0 0 5 45 2 0 0 0 0 6 28 1 0 0 0 0 6 46 1 0 0 0 0 6 47 2 0 0 0 0 6 48 2 0 0 0 0 7 29 1 0 0 0 0 7 49 1 0 0 0 0 7 50 2 0 0 0 0 7 51 2 0 0 0 0 8 30 1 0 0 0 0 8 52 1 0 0 0 0 8 53 2 0 0 0 0 8 54 2 0 0 0 0 17 58 1 0 0 0 0 17 62 1 0 0 0 0 18 59 1 0 0 0 0 18 63 1 0 0 0 0 19 60 1 0 0 0 0 19 76 1 0 0 0 0 20 61 1 0 0 0 0 20 77 1 0 0 0 0 21 66 1 0 0 0 0 22 67 1 0 0 0 0 23 74 1 0 0 0 0 24 75 1 0 0 0 0 25 64 2 0 0 0 0 26 65 2 0 0 0 0 27 84 1 0 0 0 0 28 85 1 0 0 0 0 29 88 1 0 0 0 0 30 89 1 0 0 0 0 55 78 2 0 0 0 0 55 79 1 0 0 0 0 56 58 2 0 0 0 0 56 60 1 0 0 0 0 56 64 1 0 0 0 0 57 59 2 0 0 0 0 57 61 1 0 0 0 0 57 65 1 0 0 0 0 58 70 1 0 0 0 0 59 71 1 0 0 0 0 60 72 2 0 0 0 0 61 73 2 0 0 0 0 62 66 2 0 0 0 0 62 68 1 0 0 0 0 63 67 2 0 0 0 0 63 69 1 0 0 0 0 64 66 1 0 0 0 0 65 67 1 0 0 0 0 68 80 2 0 0 0 0 68 82 1 0 0 0 0 69 81 2 0 0 0 0 69 83 1 0 0 0 0 70 74 2 0 0 0 0 70 93 1 0 0 0 0 71 75 2 0 0 0 0 71 94 1 0 0 0 0 72 74 1 0 0 0 0 72 95 1 0 0 0 0 73 75 1 0 0 0 0 73 96 1 0 0 0 0 76 78 1 0 0 0 0 76 97 1 0 0 0 0 76 98 1 0 0 0 0 77 79 1 0 0 0 0 77 99 1 0 0 0 0 77100 1 0 0 0 0 78 86 1 0 0 0 0 79 87 2 0 0 0 0 80 84 1 0 0 0 0 80101 1 0 0 0 0 81 85 1 0 0 0 0 81102 1 0 0 0 0 82 90 2 0 0 0 0 82103 1 0 0 0 0 83 91 2 0 0 0 0 83104 1 0 0 0 0 84 88 2 0 0 0 0 85 89 2 0 0 0 0 86 92 2 0 0 0 0 86105 1 0 0 0 0 87 92 1 0 0 0 0 87106 1 0 0 0 0 88 90 1 0 0 0 0 89 91 1 0 0 0 0 90107 1 0 0 0 0 91108 1 0 0 0 0 92109 1 0 0 0 0 M CHG 8 9 1 10 1 11 1 12 1 13 1 14 1 15 1 16 1 M CHG 8 31 -1 34 -1 37 -1 40 -1 43 -1 46 -1 49 -1 52 -1 M END $$$$