11027681 -OEChem-04182406403D 65 76 0 0 0 0 0 0 0999 V2000 -0.0001 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5494 0.9020 1.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6866 -1.4182 0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3247 0.6807 -1.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 -0.1648 0.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 -0.0194 1.8571 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0461 0.8810 -1.9736 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1635 2.0568 0.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8501 0.6393 1.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7013 1.2201 1.9455 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4910 -2.3379 0.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7145 -1.6555 0.2935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5962 -1.2825 1.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0725 0.4211 -1.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1775 -0.3587 -2.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0410 1.9364 -0.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3747 -1.5011 -1.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3009 0.2738 2.9735 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3474 1.4523 -3.2072 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8016 3.1623 0.9822 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7926 1.9978 3.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4545 -3.7249 0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9053 -2.3583 0.4583 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0938 0.8343 1.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1423 -2.5604 -1.7511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5563 2.9210 -1.8045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7470 -0.2721 -3.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4035 0.5312 -1.5316 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4492 -2.2569 1.7662 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1552 -0.7030 3.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6811 1.5622 -3.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3175 4.1483 0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6481 -4.4282 0.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8678 -3.7480 0.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1955 4.0282 -1.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7128 -2.4726 -3.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7044 1.1038 -2.7677 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5161 -1.3337 -3.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0391 2.1926 3.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1844 1.6135 3.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2289 -1.9625 2.8849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2553 1.2464 3.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5649 1.8130 -3.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9047 3.2706 2.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4838 -4.2681 0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8604 -1.8454 0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3047 -3.4515 -1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 0.6049 -3.9518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0867 2.4543 3.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4699 2.8429 -2.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9924 0.3918 1.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2097 0.1803 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5183 -3.2394 1.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7668 -0.4837 4.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9259 2.0065 -4.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 5.0144 0.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6297 -5.5106 0.6169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7916 -4.3050 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6007 4.8016 -1.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3134 -3.2938 -3.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9646 -1.2752 -4.7944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7398 1.1940 -3.0841 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8974 -2.7162 3.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1202 2.7977 4.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1504 1.7713 3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 11 1 0 0 0 0 3 13 1 0 0 0 0 3 17 1 0 0 0 0 4 7 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 6 13 1 0 0 0 0 6 18 2 0 0 0 0 7 14 1 0 0 0 0 7 19 2 0 0 0 0 8 16 1 0 0 0 0 8 20 2 0 0 0 0 9 10 1 0 0 0 0 9 24 2 0 0 0 0 10 21 2 0 0 0 0 11 12 1 0 0 0 0 11 22 2 0 0 0 0 12 23 2 0 0 0 0 13 29 2 0 0 0 0 14 28 2 0 0 0 0 15 17 1 0 0 0 0 15 27 2 0 0 0 0 16 26 2 0 0 0 0 17 25 2 0 0 0 0 18 30 1 0 0 0 0 18 42 1 0 0 0 0 19 31 1 0 0 0 0 19 43 1 0 0 0 0 20 32 1 0 0 0 0 20 44 1 0 0 0 0 21 39 1 0 0 0 0 21 49 1 0 0 0 0 22 33 1 0 0 0 0 22 45 1 0 0 0 0 23 34 1 0 0 0 0 23 46 1 0 0 0 0 24 40 1 0 0 0 0 24 51 1 0 0 0 0 25 36 1 0 0 0 0 25 47 1 0 0 0 0 26 35 1 0 0 0 0 26 50 1 0 0 0 0 27 38 1 0 0 0 0 27 48 1 0 0 0 0 28 37 1 0 0 0 0 28 52 1 0 0 0 0 29 41 1 0 0 0 0 29 53 1 0 0 0 0 30 41 2 0 0 0 0 30 54 1 0 0 0 0 31 37 2 0 0 0 0 31 55 1 0 0 0 0 32 35 2 0 0 0 0 32 56 1 0 0 0 0 33 34 2 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 36 38 2 0 0 0 0 36 60 1 0 0 0 0 37 62 1 0 0 0 0 38 61 1 0 0 0 0 39 40 2 0 0 0 0 39 64 1 0 0 0 0 40 65 1 0 0 0 0 41 63 1 0 0 0 0 M END > 11027681 > 0.8 > 1 > 64 10 -0.14 11 -0.14 12 -0.14 13 -0.14 14 -0.14 15 -0.14 16 -0.14 17 -0.14 18 -0.15 19 -0.15 2 0.43 20 -0.15 21 -0.15 22 -0.15 23 -0.15 24 -0.15 25 -0.15 26 -0.15 27 -0.15 28 -0.15 29 -0.15 3 0.43 30 -0.15 31 -0.15 32 -0.15 33 -0.15 34 -0.15 35 -0.15 36 -0.15 37 -0.15 38 -0.15 39 -0.15 4 0.43 40 -0.15 41 -0.15 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 47 0.15 48 0.15 49 0.15 5 0.43 50 0.15 51 0.15 52 0.15 53 0.15 54 0.15 55 0.15 56 0.15 57 0.15 58 0.15 59 0.15 6 -0.14 60 0.15 61 0.15 62 0.15 63 0.15 64 0.15 65 0.15 7 -0.14 8 -0.14 9 -0.14 > 0 > 12 5 1 2 3 6 13 rings 5 1 2 4 8 16 rings 5 1 2 5 9 10 rings 5 1 3 4 15 17 rings 5 1 3 5 11 12 rings 5 1 4 5 7 14 rings 6 11 12 22 23 33 34 rings 6 15 17 25 27 36 38 rings 6 6 13 18 29 30 41 rings 6 7 14 19 28 31 37 rings 6 8 16 20 26 32 35 rings 6 9 10 21 24 39 40 rings > 41 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00A844E100000001 > 156.45 > 65.933 > 10863032 1 14579794281928977876 1100329 8 11783633017325613576 11578080 2 11209182976038601493 12058002 1 14615992468162862455 12156800 1 15614654145414432949 15439362 3 15256855933897377473 22121540 332 10319688007748916673 3380486 77 11071116682062252483 3493558 16 16232748356158793183 35225 105 16545525986466912588 57527306 92 9782322856291556786 57527452 28 14712256438131546841 9981440 41 16893660019990861786 > 843.76 4.85 4.85 4.85 1.69 0.91 -0.56 0.43 0.34 -1.02 0.21 -0.67 -1.34 0.15 > 2058.065 > 370.2 > 2 5 10 $$$$