B3DFI4 -OEChem-04012119502D 74 77 0 1 0 0 0 0 0999 V2000 5.3147 -3.9060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 -6.5478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 7.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -5.2606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.5940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -4.9005 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.4060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.4060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 7.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -3.9060 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0468 7.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5468 7.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -3.4992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -5.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.9060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 6.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -5.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 5.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7565 -7.2169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 2.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 5.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 5.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 3.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 4.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 4.0940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4997 -7.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0874 -7.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4257 -6.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2072 6.4952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1026 -4.2436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1544 6.4834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6294 7.3061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0217 8.3586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0718 8.3586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -2.9623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 -3.1348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 -3.7816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 -4.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 -5.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 -5.6981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5268 -2.4886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9253 -1.7983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9721 -1.7983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3706 -2.4886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9253 -1.0136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5268 -0.3234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3706 -0.3234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9721 -1.0136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2366 1.1766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8381 0.4864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5268 0.5114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9253 1.2017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1027 2.6766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7042 1.9864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 5.4040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 5.4040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 3.7840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 3.7840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0848 -8.3468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9604 -8.3009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 -7.4253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6266 -7.5452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6725 -8.4208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5482 -8.3749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8864 -6.8886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8405 -6.0130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9649 -6.0589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 23 1 0 0 0 0 2 26 1 0 0 0 0 3 21 2 0 0 0 0 4 23 2 0 0 0 0 5 27 1 0 0 0 0 5 30 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 6 23 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 21 1 0 0 0 0 9 36 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 6 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 17 19 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 20 1 0 0 0 0 18 50 1 0 0 0 0 18 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 24 27 1 0 0 0 0 24 58 1 0 0 0 0 24 59 1 0 0 0 0 25 28 2 0 0 0 0 25 29 1 0 0 0 0 26 33 1 0 0 0 0 26 34 1 0 0 0 0 26 35 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 31 1 0 0 0 0 28 62 1 0 0 0 0 29 32 2 0 0 0 0 29 63 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 35 72 1 0 0 0 0 35 73 1 0 0 0 0 35 74 1 0 0 0 0 M END $$$$