BH8DQ3 -OEChem-04012116172D 78 80 0 0 0 0 0 0 0999 V2000 11.1531 8.7987 0.0000 Cl 0 5 0 0 0 0 0 0 0 0 0 0 4.2181 9.1200 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8991 13.3814 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0841 7.6200 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 7.6200 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8313 9.4717 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2181 4.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0637 14.7904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2503 16.6175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 1.6200 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4860 4.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0271 10.7078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4091 10.7078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 1.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 3.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 4.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 5.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2181 6.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2181 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 8.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7181 11.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2181 10.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9782 10.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3059 12.4679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7181 11.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7213 11.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1861 9.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6724 10.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 9.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4869 14.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8803 9.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4814 14.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0802 15.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0692 14.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6625 15.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6680 15.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6515 15.5994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8435 17.5310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4080 3.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0094 2.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0000 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 2.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 2.2400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6981 2.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0966 3.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9491 4.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9491 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1400 9.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7415 8.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7366 12.0219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8199 12.8146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3536 12.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5924 11.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7253 9.0058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1331 11.1737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2660 8.5052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7336 13.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4636 15.1688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4158 16.4794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1531 15.2350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0160 16.1010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1499 15.9638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4099 17.7832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5914 18.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2771 17.2788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 26 1 0 0 0 0 2 28 1 0 0 0 0 3 30 1 0 0 0 0 3 36 1 0 0 0 0 4 24 1 0 0 0 0 5 25 1 0 0 0 0 6 37 1 0 0 0 0 7 19 2 0 0 0 0 8 40 1 0 0 0 0 8 43 1 0 0 0 0 9 41 1 0 0 0 0 9 44 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 11 58 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 28 2 0 0 0 0 13 31 1 0 0 0 0 14 18 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 25 1 0 0 0 0 21 59 1 0 0 0 0 22 24 2 0 0 0 0 22 60 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 30 1 0 0 0 0 27 31 2 0 0 0 0 29 32 2 0 0 0 0 29 33 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 31 65 1 0 0 0 0 32 34 1 0 0 0 0 32 66 1 0 0 0 0 33 35 2 0 0 0 0 33 67 1 0 0 0 0 34 37 2 0 0 0 0 34 68 1 0 0 0 0 35 37 1 0 0 0 0 35 69 1 0 0 0 0 36 38 2 0 0 0 0 36 39 1 0 0 0 0 38 40 1 0 0 0 0 38 70 1 0 0 0 0 39 42 2 0 0 0 0 39 71 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 72 1 0 0 0 0 43 73 1 0 0 0 0 43 74 1 0 0 0 0 43 75 1 0 0 0 0 44 76 1 0 0 0 0 44 77 1 0 0 0 0 44 78 1 0 0 0 0 M CHG 2 1 -1 10 1 M END $$$$