B2IPM7 -OEChem-04022115473D 68 72 0 1 0 0 0 0 0999 V2000 -2.1072 3.8663 1.1853 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3023 1.3623 1.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0290 0.5301 -1.0914 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8231 -0.7790 1.2716 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6742 1.8242 -0.9024 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3854 -0.0045 0.4588 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1095 1.5727 -0.0072 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9614 -0.3380 0.6743 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2501 0.4599 1.5314 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5283 -1.3088 -0.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2708 0.0260 -0.4389 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4266 -2.4218 -1.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0234 -1.6653 0.9493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7241 -3.7775 -0.9889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3234 -3.0224 0.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2159 -4.1245 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1375 3.0071 -0.5931 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3787 1.1300 0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7343 1.5829 -2.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3651 3.6658 -1.9599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3264 2.4960 -2.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4384 2.6955 0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6976 0.2533 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6895 0.1402 1.2103 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2385 1.6323 0.7864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4081 2.7960 1.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8765 1.4951 1.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1344 0.4929 0.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9264 -1.7781 0.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9459 -0.6887 0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0428 -1.4623 0.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0024 -1.2005 -0.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2859 -2.7382 -0.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2157 -2.4832 -1.3735 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3369 -3.2359 -1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6506 -1.2230 -1.1094 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6438 0.2543 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3518 -2.5019 -0.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7201 -2.1851 -2.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3033 -0.9238 1.3107 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8441 -1.7045 1.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8811 -3.7628 -1.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4136 -4.5559 -1.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0313 -3.2724 1.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5995 -2.9665 0.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0698 -4.2800 1.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6599 -5.0681 0.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4695 3.6629 0.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5576 0.5316 -2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7318 1.8711 -2.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2929 4.2413 -2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 4.3419 -2.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0928 2.8015 -3.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2977 1.9872 -2.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2058 -0.1368 1.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3086 -0.5557 1.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2022 3.0721 2.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 1.8685 2.2717 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5795 1.4301 2.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2527 2.2446 1.1756 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7116 -0.1261 1.3321 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8885 -2.1074 0.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7611 -2.3174 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1559 -2.0707 -0.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1208 -0.6455 -1.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1571 -3.3136 0.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4955 -2.8996 -2.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4737 -4.2280 -1.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 26 1 0 0 0 0 2 18 2 0 0 0 0 3 23 2 0 0 0 0 4 9 1 0 0 0 0 4 31 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 11 1 0 0 0 0 6 23 1 0 0 0 0 6 55 1 0 0 0 0 7 22 2 0 0 0 0 7 25 1 0 0 0 0 8 24 1 0 0 0 0 8 29 1 0 0 0 0 8 61 1 0 0 0 0 9 28 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 36 1 0 0 0 0 11 18 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 16 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 20 1 0 0 0 0 17 22 1 0 0 0 0 17 48 1 0 0 0 0 19 21 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 23 24 1 0 0 0 0 24 27 1 0 0 0 0 24 56 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 28 30 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 31 33 2 0 0 0 0 32 34 1 0 0 0 0 32 65 1 0 0 0 0 33 35 1 0 0 0 0 33 66 1 0 0 0 0 34 35 2 0 0 0 0 34 67 1 0 0 0 0 35 68 1 0 0 0 0 M END $$$$