BA4N9J -OEChem-04022115173D 60 61 0 0 0 0 0 0 0999 V2000 -7.0098 0.4304 0.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8832 2.2205 0.4567 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4327 2.6773 -0.2466 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6723 1.0349 -0.3657 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8219 -2.3886 -0.9962 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0616 -2.3782 0.9466 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1393 -0.9146 -0.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7368 -0.0024 0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6695 0.8957 0.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3708 0.4394 -0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2066 -1.8126 -0.2619 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5052 -1.3565 -0.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0594 -0.2946 -0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7669 -1.3960 -0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9082 -0.6094 0.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8740 -0.4855 0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1901 0.6351 -0.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6555 -0.7373 -0.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4725 0.5482 -0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6906 -1.3195 -0.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0469 0.7711 0.0957 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5740 -1.1968 0.4545 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3097 1.3277 -0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1154 -1.2691 0.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0321 -1.4333 0.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4173 -0.5885 0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4337 0.5038 -0.1673 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2949 -0.8767 -0.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4742 1.5895 -0.5488 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0419 -0.5337 0.7502 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7384 3.0714 0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2347 3.4479 -0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5288 1.1191 -0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0433 -2.8726 -0.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3008 -2.0955 -0.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7339 -0.7067 -1.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3554 -1.1202 0.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6957 -2.3629 -0.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5984 0.1060 0.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1032 0.2003 -0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9119 1.4734 -1.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6643 0.2146 0.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1626 1.3900 0.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5727 -2.1965 0.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9426 -2.5114 0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3578 0.3944 -0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1620 -1.5301 -0.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2871 1.1239 -1.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9015 2.0851 0.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0290 2.3638 -1.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4552 -0.0969 1.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8494 -1.0537 0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3141 -1.2888 1.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0930 4.0859 0.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2586 3.1031 -0.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0383 2.8098 1.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3271 0.3158 -0.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5190 4.4964 -0.3118 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7676 3.3763 0.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5421 3.1993 -0.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 2 9 1 0 0 0 0 2 31 1 0 0 0 0 3 23 1 0 0 0 0 3 32 1 0 0 0 0 4 27 1 0 0 0 0 4 57 1 0 0 0 0 5 20 2 0 0 0 0 6 24 2 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 13 17 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 18 2 0 0 0 0 14 38 1 0 0 0 0 15 21 2 0 0 0 0 15 22 1 0 0 0 0 15 25 1 0 0 0 0 16 20 1 0 0 0 0 16 24 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 19 2 0 0 0 0 17 41 1 0 0 0 0 18 20 1 0 0 0 0 18 42 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 21 23 1 0 0 0 0 21 43 1 0 0 0 0 22 26 2 0 0 0 0 22 44 1 0 0 0 0 23 27 2 0 0 0 0 24 26 1 0 0 0 0 25 28 2 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 M END $$$$