B5XVB3 -OEChem-04022106582D 75 79 0 1 0 0 0 0 0999 V2000 4.5981 2.2885 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.7787 -0.3183 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.1913 -0.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2617 1.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.4225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 3.1546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8300 -2.0207 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5640 -2.5824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7885 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7420 -4.3053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3390 -5.3210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8005 -0.5262 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5926 0.4519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5981 0.5565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9345 -1.0262 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0981 1.4225 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.3005 -1.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5981 2.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5693 -2.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9686 -2.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1610 -3.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1728 -3.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7473 -4.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1504 -3.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 3.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 3.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.7885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 5.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 4.2677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 5.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1915 0.2915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9789 0.5240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4545 -1.3639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7881 1.9594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7636 -1.7022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6105 -1.9292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8374 -1.0822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1350 1.9785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9081 2.8255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0611 2.5985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8682 1.0662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4027 -2.2639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7563 -3.9492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.0985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7671 -3.3287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.0985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7026 -5.8232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7223 -5.3847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -0.2484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 0.8255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.9785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 3.1339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 5.5985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 6.4085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 6.4432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 3.9556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.6289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.3191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 5.6214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.2115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -2.2115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 1 12 1 0 0 0 0 15 2 1 1 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 16 4 1 1 0 0 0 4 53 1 0 0 0 0 5 19 1 0 0 0 0 6 29 1 0 0 0 0 8 31 1 0 0 0 0 8 40 1 0 0 0 0 9 31 2 0 0 0 0 18 10 1 6 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 22 2 0 0 0 0 11 27 1 0 0 0 0 28 12 1 1 0 0 0 12 56 1 0 0 0 0 13 26 1 0 0 0 0 13 27 2 0 0 0 0 14 26 1 0 0 0 0 14 59 1 0 0 0 0 14 60 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 6 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 19 21 1 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 55 1 0 0 0 0 27 57 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 28 58 1 0 0 0 0 29 32 1 0 0 0 0 29 33 2 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 32 34 1 0 0 0 0 32 35 2 0 0 0 0 33 36 1 0 0 0 0 33 64 1 0 0 0 0 34 37 1 0 0 0 0 34 38 2 0 0 0 0 35 39 1 0 0 0 0 35 65 1 0 0 0 0 36 37 2 0 0 0 0 36 66 1 0 0 0 0 37 67 1 0 0 0 0 38 41 1 0 0 0 0 38 68 1 0 0 0 0 39 41 2 0 0 0 0 39 69 1 0 0 0 0 40 42 1 0 0 0 0 40 70 1 0 0 0 0 40 71 1 0 0 0 0 41 72 1 0 0 0 0 42 73 1 0 0 0 0 42 74 1 0 0 0 0 42 75 1 0 0 0 0 M END $$$$