B1AXW5 -OEChem-04012113222D 88 91 0 1 0 0 0 0 0999 V2000 5.5000 2.3100 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.5327 -1.6845 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9641 -1.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6340 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 1.4440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5622 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0981 0.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 2.8100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8301 -0.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4282 -3.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3417 -0.2833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2942 -5.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5622 -5.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2320 -5.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0981 -0.1900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2320 2.3100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6962 -0.6900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2320 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0981 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2320 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6962 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9641 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5622 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2320 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0981 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 3.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5622 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5622 -3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 3.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0981 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2320 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9641 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4282 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 -3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0981 -3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2320 5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9641 5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2320 -3.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 4.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0981 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 4.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4282 -4.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5109 -1.8924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0109 -1.0264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2320 -4.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5611 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6951 2.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6962 -0.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0200 -0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6215 -0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3101 2.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7087 2.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6350 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0856 -1.5823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4841 -2.2726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3660 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8301 0.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1728 -2.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7742 -1.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5826 3.3881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8923 3.7866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9516 -3.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3501 -3.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8291 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6350 -1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6951 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5010 4.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8291 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6350 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6951 5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5010 5.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 4.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 1.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0981 6.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 4.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 1.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 3.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7631 -2.4588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6275 -0.9616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2942 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8312 -4.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5622 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0252 -4.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 27 1 0 0 0 0 2 35 1 0 0 0 0 2 48 1 0 0 0 0 3 21 2 0 0 0 0 4 23 2 0 0 0 0 7 28 2 0 0 0 0 16 8 1 6 0 0 0 8 21 1 0 0 0 0 8 58 1 0 0 0 0 17 9 1 6 0 0 0 9 61 1 0 0 0 0 18 10 1 6 0 0 0 10 23 1 0 0 0 0 10 62 1 0 0 0 0 11 29 1 0 0 0 0 11 47 2 0 0 0 0 12 35 2 0 0 0 0 12 49 1 0 0 0 0 13 47 1 0 0 0 0 13 85 1 0 0 0 0 13 86 1 0 0 0 0 14 47 1 0 0 0 0 14 87 1 0 0 0 0 14 88 1 0 0 0 0 15 50 3 0 0 0 0 16 19 1 0 0 0 0 16 23 1 0 0 0 0 16 51 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 17 52 1 0 0 0 0 18 22 1 0 0 0 0 18 28 1 0 0 0 0 18 53 1 0 0 0 0 19 25 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 26 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 22 24 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 24 29 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 31 2 0 0 0 0 25 32 1 0 0 0 0 26 33 2 0 0 0 0 26 34 1 0 0 0 0 27 30 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 35 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 41 2 0 0 0 0 30 42 1 0 0 0 0 31 36 1 0 0 0 0 31 69 1 0 0 0 0 32 37 2 0 0 0 0 32 70 1 0 0 0 0 33 38 1 0 0 0 0 33 71 1 0 0 0 0 34 39 2 0 0 0 0 34 72 1 0 0 0 0 36 40 2 0 0 0 0 36 73 1 0 0 0 0 37 40 1 0 0 0 0 37 74 1 0 0 0 0 38 43 2 0 0 0 0 38 75 1 0 0 0 0 39 43 1 0 0 0 0 39 76 1 0 0 0 0 40 50 1 0 0 0 0 41 44 1 0 0 0 0 41 77 1 0 0 0 0 42 45 2 0 0 0 0 42 78 1 0 0 0 0 43 79 1 0 0 0 0 44 46 2 0 0 0 0 44 80 1 0 0 0 0 45 46 1 0 0 0 0 45 81 1 0 0 0 0 46 82 1 0 0 0 0 48 49 2 0 0 0 0 48 83 1 0 0 0 0 49 84 1 0 0 0 0 M END $$$$