B1DH4G -OEChem-04012119282D 48 50 0 1 0 0 0 0 0999 V2000 4.4487 0.1145 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.9285 -2.3089 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 3.2563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9487 -0.7516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9487 0.9805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3037 0.8697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5928 -3.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5766 -0.8855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.6145 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.9930 -1.6903 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 1.6090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5000 1.8169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 2.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.1145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 -1.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -1.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3037 -2.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 -0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5766 -0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2822 -2.8470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7565 3.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9500 -2.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 1.3868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6916 2.4066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 2.0691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 -0.1567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9791 -0.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 1.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 0.4901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5498 1.7523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7962 2.5104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.7345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 -1.6955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.5055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6898 -2.7281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2831 -3.2604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8888 -2.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1714 3.4646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2173 4.3402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 4.3861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1813 -1.5275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4236 -1.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1995 -3.9254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 9 1 0 0 0 0 1 16 1 0 0 0 0 2 27 1 0 0 0 0 3 15 1 0 0 0 0 3 26 1 0 0 0 0 6 23 2 0 0 0 0 25 7 1 1 0 0 0 7 48 1 0 0 0 0 8 24 2 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 19 1 0 0 0 0 10 22 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 1 0 0 0 11 28 1 0 0 0 0 12 14 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 23 1 0 0 0 0 19 21 1 0 0 0 0 20 21 2 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 25 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 25 27 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 M END $$$$