B4CH7A -OEChem-04012120362D 52 54 0 1 0 0 0 0 0999 V2000 10.3312 -0.8506 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.6494 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.8312 -1.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8312 -1.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9111 1.3621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.6494 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 11.1972 2.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.1494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.6494 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3560 -2.7372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.3506 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.2055 -0.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.3506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2055 0.6536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9111 -1.0633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6503 -2.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6839 -2.2855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4231 -3.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0952 -3.7026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1287 -3.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.6494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.1494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3564 -0.9498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8546 -0.2429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 -0.9332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 1.6244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 1.6244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5103 -0.9040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2464 -1.8462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 0.1745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 0.1745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8239 -3.4101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5327 -4.1419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9670 -4.5580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 2.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3394 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 14 1 0 0 0 0 1 16 1 0 0 0 0 5 17 2 0 0 0 0 6 20 1 0 0 0 0 6 25 1 0 0 0 0 7 22 1 0 0 0 0 8 22 2 0 0 0 0 9 25 2 0 0 0 0 10 33 1 0 0 0 0 10 51 1 0 0 0 0 11 35 1 0 0 0 0 11 52 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 23 1 0 0 0 0 13 28 2 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 17 1 0 0 0 0 15 21 2 0 0 0 0 16 19 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 23 24 2 0 0 0 0 24 27 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 26 29 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 30 2 0 0 0 0 27 45 1 0 0 0 0 28 30 1 0 0 0 0 28 46 1 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 30 47 1 0 0 0 0 31 33 1 0 0 0 0 31 48 1 0 0 0 0 32 34 2 0 0 0 0 32 49 1 0 0 0 0 33 35 2 0 0 0 0 34 35 1 0 0 0 0 34 50 1 0 0 0 0 M CHG 2 2 1 7 -1 M END $$$$