BTWI21 -OEChem-04022114263D 41 43 0 1 0 0 0 0 0999 V2000 -0.9454 -1.6717 -1.1350 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1846 2.9052 -1.0984 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6349 1.0171 0.2983 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7388 -2.0489 -2.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0540 -2.2212 -0.3782 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4224 1.3524 -0.4516 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7118 0.0529 1.5412 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9636 0.0258 -1.0076 N 0 0 1 0 0 0 0 0 0 0 0 0 -3.3152 0.0146 1.4310 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6644 1.7289 -0.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 1.9899 0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 0.6205 0.3121 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1937 0.7763 -1.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7720 3.8021 -0.1589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2772 1.8299 1.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7815 0.7124 0.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8511 3.0834 0.6353 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 -2.0406 -0.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4976 -2.2700 1.1216 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7582 -2.0990 -0.9323 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6714 -2.5576 1.8182 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 -2.3865 -0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8886 -2.6158 1.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2431 2.7380 -0.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4842 2.3649 1.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8843 0.0380 1.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1918 1.3393 -2.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9983 0.1481 -1.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9968 4.2130 0.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2070 4.6369 -0.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0797 1.2375 1.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5711 2.0778 2.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2884 3.7440 1.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6463 2.7819 -0.0577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8054 -0.4192 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4385 -2.2354 1.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8187 -1.9425 -2.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6377 -2.7369 2.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8794 -2.4354 -0.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8025 -2.8402 1.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9426 -0.7751 1.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 8 1 0 0 0 0 1 18 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 3 10 1 0 0 0 0 3 15 1 0 0 0 0 6 16 2 0 0 0 0 7 9 1 0 0 0 0 7 41 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 16 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 16 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 17 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$