B8ICH1 -OEChem-04012117292D 41 43 0 1 0 0 0 0 0999 V2000 5.2477 2.0480 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2474 2.0729 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7688 1.2196 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4566 1.0994 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.7368 0.2171 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3159 0.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6924 -2.4898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2908 -1.9305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9556 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 2.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6358 0.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2908 0.3165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6107 1.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0727 -0.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8820 -0.8070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7691 1.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0727 -1.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8820 -0.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3159 -1.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9666 0.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9666 -1.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8727 -0.2862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -1.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8727 -1.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5037 1.8498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3044 2.7758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3967 3.0558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5058 2.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7172 1.3031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4530 0.2345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7934 1.6420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5522 -0.2821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9897 -0.1964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2994 -0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4288 -2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9594 -2.4616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8451 -1.3631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 -2.2100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9190 -1.9830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4084 -1.6399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 17 1 0 0 0 0 3 17 1 0 0 0 0 4 21 1 0 0 0 0 5 23 1 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 7 20 2 0 0 0 0 8 18 1 0 0 0 0 8 20 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 14 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 1 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 14 32 1 0 0 0 0 15 18 2 0 0 0 0 15 21 1 0 0 0 0 16 19 1 6 0 0 0 16 20 1 0 0 0 0 16 33 1 0 0 0 0 18 22 1 0 0 0 0 19 24 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 21 23 2 0 0 0 0 22 25 2 0 0 0 0 22 37 1 0 0 0 0 23 25 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$