BKV4H5 -OEChem-04012115582D 54 53 0 0 0 0 0 0 0999 V2000 7.2805 0.7017 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 3.7604 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 3.7363 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -3.7637 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1291 -0.8082 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 5.5321 -5.2637 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.9340 5.2363 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.9224 5.2637 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.8000 1.7363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2689 -0.2983 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.2804 0.6901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2805 0.7132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9263 4.2638 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.5588 4.6245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5655 2.8963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 4.2363 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.3000 4.6023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 2.8702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -4.7637 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.6660 -3.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6660 -3.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.7363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.2363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 3.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 1.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 3.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 3.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1981 3.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 3.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1981 2.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -2.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -2.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -2.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2849 4.3909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 4.3563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7338 1.9034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 -2.5737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -0.1091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -3.4184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.1163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.9309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.5966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9350 -1.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 1 12 2 0 0 0 0 1 27 1 0 0 0 0 2 14 1 0 0 0 0 2 15 2 0 0 0 0 2 16 2 0 0 0 0 2 31 1 0 0 0 0 3 17 1 0 0 0 0 3 18 2 0 0 0 0 3 19 2 0 0 0 0 3 32 1 0 0 0 0 4 20 1 0 0 0 0 4 21 2 0 0 0 0 4 22 2 0 0 0 0 4 38 1 0 0 0 0 9 34 1 0 0 0 0 9 51 1 0 0 0 0 13 39 1 0 0 0 0 13 54 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 37 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 33 1 0 0 0 0 28 34 2 0 0 0 0 29 31 1 0 0 0 0 29 45 1 0 0 0 0 30 32 2 0 0 0 0 30 46 1 0 0 0 0 31 33 2 0 0 0 0 32 34 1 0 0 0 0 33 47 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 41 2 0 0 0 0 36 38 1 0 0 0 0 36 42 2 0 0 0 0 37 39 2 0 0 0 0 38 40 2 0 0 0 0 39 40 1 0 0 0 0 40 48 1 0 0 0 0 41 43 1 0 0 0 0 41 49 1 0 0 0 0 42 44 1 0 0 0 0 42 50 1 0 0 0 0 43 44 2 0 0 0 0 43 52 1 0 0 0 0 44 53 1 0 0 0 0 M CHG 8 5 1 6 1 7 1 8 1 10 -1 14 -1 17 -1 20 -1 M END $$$$