B5INQ8 -OEChem-04022109053D 35 38 0 0 0 0 0 0 0999 V2000 3.1286 2.8973 -0.9884 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4851 1.4330 0.4712 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6226 2.7389 0.6163 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3550 0.2927 -0.1060 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7135 1.8152 -0.4655 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1346 0.6266 -0.1166 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2769 0.4667 -0.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0986 -0.2795 0.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1249 1.6667 -0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2884 -0.9011 -0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8498 -0.7196 -0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5978 -0.3958 0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0752 0.1836 0.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1098 1.6375 0.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9070 -2.1271 -0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6751 -1.7678 -0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7410 0.2998 0.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4597 0.0804 0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2952 -2.2473 -0.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0695 -1.1454 0.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8883 -2.4401 -0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9541 -0.3725 0.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0278 -1.7424 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9891 -1.3088 0.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2071 2.6614 -0.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2705 -1.5890 -0.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3224 -2.9970 -0.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8113 -2.3373 -0.5371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7192 1.3485 0.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0599 0.9383 0.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7734 -3.2020 -0.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1476 -1.2449 0.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9469 -3.5060 -0.2572 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8385 0.1671 0.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9718 -2.2663 0.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 14 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 25 1 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 11 2 0 0 0 0 7 14 1 0 0 0 0 8 24 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 15 2 0 0 0 0 11 26 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 15 19 1 0 0 0 0 15 27 1 0 0 0 0 16 21 1 0 0 0 0 16 28 1 0 0 0 0 17 22 2 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 23 2 0 0 0 0 21 33 1 0 0 0 0 22 23 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 M END $$$$