B3MRP2 -OEChem-04022102032D 60 64 0 1 0 0 0 0 0999 V2000 4.5981 -2.4874 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8066 3.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2686 3.5796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5504 5.3374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5312 4.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 1.8173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.2078 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2686 3.5778 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8578 4.3858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8550 2.7678 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8083 4.0752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6183 4.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 1.0126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9861 3.0259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2926 2.3286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2969 4.8235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3602 3.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9659 5.1750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1731 5.0930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9595 4.1170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9660 5.7975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7479 1.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0334 4.6168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.9048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.2975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.2975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.8674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -3.9048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -4.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.6774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.2975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.7975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 29 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 12 3 1 6 0 0 0 3 42 1 0 0 0 0 13 4 1 6 0 0 0 4 43 1 0 0 0 0 5 16 1 0 0 0 0 5 45 1 0 0 0 0 6 33 1 0 0 0 0 6 60 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 18 2 0 0 0 0 8 19 1 0 0 0 0 9 17 2 0 0 0 0 9 21 1 0 0 0 0 10 20 1 0 0 0 0 10 22 1 0 0 0 0 10 46 1 0 0 0 0 11 20 1 0 0 0 0 11 21 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 1 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 25 50 1 0 0 0 0 26 28 1 0 0 0 0 26 51 1 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 31 34 1 0 0 0 0 31 54 1 0 0 0 0 32 35 1 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 34 35 2 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 M END $$$$