B90DNP -OEChem-04012114122D 53 56 0 0 0 0 0 0 0999 V2000 12.9697 -1.1982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5898 -2.3710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.5913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 -2.4170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6414 -1.7466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6769 -2.7793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2312 -2.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4211 -1.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1440 -2.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5083 -2.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 -2.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 -1.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9540 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3021 -3.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3077 -3.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 -0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 -1.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.4345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -0.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 2.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 3.2008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8669 -2.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7859 -2.8546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5788 -2.9366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8664 -1.4053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0735 -1.3234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5893 -1.5834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7964 -1.5014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3071 -2.2982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9004 -2.8305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5088 -3.0327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3016 -3.1146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7177 -3.6836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9987 -3.8673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 -0.6438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 -1.5155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 0.8960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 0.0243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 2.3960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 3.7901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.5860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.2060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6132 -3.3960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0920 -2.7345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 2 0 0 0 0 2 6 1 0 0 0 0 2 53 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 18 1 0 0 0 0 5 10 2 0 0 0 0 6 27 1 0 0 0 0 6 52 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 10 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 15 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 19 2 0 0 0 0 12 20 1 0 0 0 0 13 21 2 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 14 25 2 0 0 0 0 15 27 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 24 1 0 0 0 0 16 26 2 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 20 22 2 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 28 1 0 0 0 0 25 48 1 0 0 0 0 26 29 1 0 0 0 0 26 49 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 M END $$$$