B3VYR4 -OEChem-04012115012D 44 48 0 0 0 0 0 0 0999 V2000 9.3560 0.8154 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3758 1.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.8691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7094 0.2267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3701 1.7037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0980 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4892 0.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0765 0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5763 0.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6897 -0.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6954 -0.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3872 1.3017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3657 1.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7444 -0.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0335 0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7229 -0.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6764 2.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9684 1.3105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3751 0.7782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.0644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -2.4584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9988 -1.3054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2797 -1.1217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9731 1.7632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5518 -0.9825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6402 0.8915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1369 -0.6484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2657 2.2658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8690 3.0478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0870 2.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 5 1 0 0 0 0 2 12 1 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 3 31 1 0 0 0 0 4 12 2 0 0 0 0 4 19 1 0 0 0 0 5 19 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 2 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 13 2 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 11 14 1 0 0 0 0 11 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 16 18 1 0 0 0 0 16 20 2 0 0 0 0 17 19 1 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 18 24 2 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 25 1 0 0 0 0 23 27 1 0 0 0 0 24 26 1 0 0 0 0 24 39 1 0 0 0 0 25 26 2 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M END $$$$