BIG2T8 -OEChem-04022101372D 61 62 0 1 0 0 0 0 0999 V2000 9.6748 0.6086 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.8581 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.3660 6.2241 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 4.4920 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.0764 3.4148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2087 4.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2660 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 5.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 6.8580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6748 2.8555 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2660 1.7320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3868 5.4856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8108 10.7456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4994 10.3602 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2660 1.7320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6998 2.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6998 0.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4566 2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8973 3.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4566 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3506 2.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1642 4.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3506 0.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2566 2.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2566 1.2112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7660 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6537 6.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8762 7.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8318 7.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1432 7.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3213 9.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0543 8.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3657 8.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5438 10.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 5.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 5.8581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9361 1.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0954 0.6931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6998 0.2111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4686 3.5896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2337 4.3513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9560 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3434 3.3867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3434 0.0774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7924 2.5649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7924 0.8992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9792 5.6683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0824 6.4066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3173 5.6449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 1.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1460 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 0.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2863 7.0137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5507 7.6381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6468 8.5931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9112 9.2175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9487 11.3501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2183 10.5629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6373 10.9647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 5.6680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 20 1 0 0 0 0 2 36 1 0 0 0 0 3 36 1 0 0 0 0 4 36 1 0 0 0 0 5 16 2 0 0 0 0 6 22 2 0 0 0 0 7 26 2 0 0 0 0 8 37 1 0 0 0 0 8 61 1 0 0 0 0 9 37 2 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 15 11 1 6 0 0 0 11 26 1 0 0 0 0 11 43 1 0 0 0 0 12 22 1 0 0 0 0 12 27 1 0 0 0 0 12 48 1 0 0 0 0 13 35 1 0 0 0 0 13 58 1 0 0 0 0 13 59 1 0 0 0 0 14 35 2 0 0 0 0 14 60 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 20 1 0 0 0 0 18 21 2 0 0 0 0 19 22 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 23 2 0 0 0 0 21 24 1 0 0 0 0 21 44 1 0 0 0 0 23 25 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 33 1 0 0 0 0 30 54 1 0 0 0 0 31 34 2 0 0 0 0 31 55 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 33 56 1 0 0 0 0 34 57 1 0 0 0 0 36 37 1 0 0 0 0 M END $$$$