B2IK1R -OEChem-04012114253D 31 32 0 1 0 0 0 0 0999 V2000 3.8556 -0.3161 -0.3058 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1976 -1.7298 -0.3688 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1904 0.5604 -1.4190 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8579 -0.3720 0.7381 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8041 -0.3466 -0.3595 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5053 0.3458 1.1290 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 0.3114 0.6695 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0335 1.8383 0.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8398 2.1652 -0.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5739 0.0027 0.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1025 1.0561 -0.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4583 0.9758 -0.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0975 -1.1485 0.9034 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1428 -0.1785 0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4675 -1.2326 0.6465 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1564 -0.6330 -0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7180 -1.2986 -1.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4212 0.0524 1.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8683 2.3255 1.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9753 2.2293 0.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4257 3.1522 -0.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1214 2.1057 -1.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9615 1.8000 -0.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4235 -1.9673 1.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 -0.5765 -1.2338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9974 -2.1312 0.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7021 -1.7182 -1.2372 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8157 -0.5607 -2.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0603 -2.1084 -1.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9627 -0.2975 1.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9555 1.2672 1.0678 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 14 1 0 0 0 0 4 16 2 0 0 0 0 5 7 1 0 0 0 0 5 16 1 0 0 0 0 5 25 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 11 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 12 14 2 0 0 0 0 12 23 1 0 0 0 0 13 15 2 0 0 0 0 13 24 1 0 0 0 0 14 15 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 M END $$$$