BHP1U8 -OEChem-04012118132D 55 57 0 1 0 0 0 0 0999 V2000 9.2365 -0.4879 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1854 -4.7512 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 6.5715 -2.5096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8764 -3.8002 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.5236 -3.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3442 -1.3065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4881 1.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4872 2.8169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2854 -1.7969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5715 -0.0842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1602 1.3329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7153 3.0068 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5994 4.3620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2854 -0.7969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8242 -1.2969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2365 -2.1060 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2771 -0.7928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2771 -1.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 -0.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6333 -1.8847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5455 -3.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6050 -0.3411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8994 0.3675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9329 0.1107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4545 2.0415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 -0.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0876 3.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6340 4.6228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6496 3.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2608 0.5624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7056 -1.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1542 0.0429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7981 -2.5444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7041 -1.0295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9977 -1.2107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1349 -0.3447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2688 -0.2076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2688 -2.3863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1349 -2.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9977 -1.3831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7332 0.5143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4619 0.8068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7594 1.4921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 1.4178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1096 -1.2940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6066 4.1764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6483 3.3478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8573 5.2012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0821 4.9054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0820 4.7512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 1.0017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -1.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 -0.5622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 3 18 2 0 0 0 0 4 21 1 0 0 0 0 5 21 2 0 0 0 0 6 22 2 0 0 0 0 7 25 2 0 0 0 0 8 30 2 0 0 0 0 9 14 1 0 0 0 0 9 16 1 0 0 0 0 9 18 1 0 0 0 0 17 10 1 1 0 0 0 10 22 1 0 0 0 0 10 43 1 0 0 0 0 23 11 1 1 0 0 0 11 25 1 0 0 0 0 11 45 1 0 0 0 0 12 25 1 0 0 0 0 12 28 1 0 0 0 0 12 30 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 13 52 1 0 0 0 0 14 17 1 0 0 0 0 14 34 1 6 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 6 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 26 31 1 0 0 0 0 26 46 1 0 0 0 0 27 32 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 31 33 2 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 33 55 1 0 0 0 0 M CHG 2 2 1 4 -1 M END $$$$