bkas#1-CoA(4-) CDK 0207182330 67 70 0 0 0 0 0 0 0 0999 V2000 21.2377 -0.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2377 0.2992 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5232 0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8088 0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0943 0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0943 1.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3798 0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6654 0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6654 1.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9509 0.2992 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.2364 0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5219 0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8075 0.7117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0930 0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0930 -0.5258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3785 0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6641 0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9496 0.7117 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2351 0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2351 -0.5258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5206 0.7117 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5206 1.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8062 0.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2187 -0.4153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3937 1.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0917 -0.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3772 0.2992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6628 -0.1133 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 8.0753 -0.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2503 0.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9483 -0.5258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2338 -0.1133 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.8213 -0.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6463 0.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5193 0.2992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8049 -0.1133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0904 0.2992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3367 -0.0363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7847 0.5767 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1972 1.2912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8616 2.0449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0042 1.1197 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6173 1.6717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4019 1.4168 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.1469 0.6322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6568 2.2014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1865 1.1618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9642 0.4905 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5517 -0.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7447 -0.0524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6585 0.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0089 1.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7626 0.9174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0773 2.0735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8310 2.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 1.9241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4122 1.1036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9522 0.7117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6666 0.2992 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.3811 0.7117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0956 0.2992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.8101 0.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0956 -0.5258 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.8101 -0.9383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3811 -0.9383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6666 -0.5258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9522 -0.9383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 21 19 1 0 0 0 0 21 22 1 1 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 32 35 1 0 0 0 0 35 36 1 0 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 39 38 1 0 0 0 0 40 39 1 0 0 0 0 40 41 1 6 0 0 0 40 42 1 0 0 0 0 42 37 1 0 0 0 0 42 43 1 6 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 47 2 0 0 0 0 39 48 1 1 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 48 57 1 0 0 0 0 51 57 1 0 0 0 0 2 58 1 0 0 0 0 59 58 1 6 0 0 0 59 60 1 0 0 0 0 61 60 1 0 0 0 0 61 62 1 1 0 0 0 61 63 1 0 0 0 0 63 64 1 6 0 0 0 63 65 1 0 0 0 0 66 65 1 0 0 0 0 59 66 1 0 0 0 0 66 67 1 1 0 0 0 M CHG 1 29 -1 M CHG 1 33 -1 M CHG 1 45 -1 M CHG 1 46 -1 M END