B4ISG6 -OEChem-04012120362D 52 54 0 1 0 0 0 0 0999 V2000 3.0000 -0.5616 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9378 2.3499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -0.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -5.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -5.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.4384 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7567 4.0724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7676 3.8634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9487 2.1408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9706 1.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.9384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4487 1.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7796 0.5317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3554 3.0544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3500 3.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7348 4.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2567 4.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8394 5.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9258 5.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -3.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -3.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -4.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4138 2.8014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9058 2.5495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3506 1.9329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8985 0.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8636 0.8140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9503 1.6392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4696 -0.0053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2812 0.1672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6076 3.6208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4631 0.7484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7996 3.6638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3548 4.2804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8418 5.3992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7551 4.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1510 3.7986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0198 4.4298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4458 5.1460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0310 5.8645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2358 6.2185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4242 6.0460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -1.7516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -1.7516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -3.3716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -3.3716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -5.6816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 21 1 0 0 0 0 2 16 2 0 0 0 0 5 27 1 0 0 0 0 5 52 1 0 0 0 0 6 27 2 0 0 0 0 12 7 1 1 0 0 0 7 37 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 15 9 1 6 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 15 1 0 0 0 0 10 28 1 1 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 48 1 0 0 0 0 23 25 2 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 M END $$$$