B72PVU -OEChem-04012117162D 53 55 0 1 0 0 0 0 0999 V2000 15.0506 0.0156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5826 -0.9711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1903 1.5189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0390 -2.9844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3070 -2.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4544 0.5256 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.0423 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 1.5351 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 3.6044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0698 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3185 0.0222 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.3147 -0.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1788 -1.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5865 0.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7224 0.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1865 0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 1.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8544 0.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 1.5322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9904 0.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 2.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1749 -2.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 3.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3209 0.6422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7045 -0.8677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1004 -1.5595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7889 -1.5911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3931 -0.8993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4568 1.1456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8618 1.0722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6589 1.0691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8521 -0.5844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2644 1.8402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1325 2.6622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4522 0.2310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8646 2.6556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 3.4026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5887 0.3235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0366 -3.6044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 4.1067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.8798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.0328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.2597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.2597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 47 1 0 0 0 0 2 16 2 0 0 0 0 3 18 2 0 0 0 0 4 25 1 0 0 0 0 4 48 1 0 0 0 0 5 25 2 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 6 38 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 7 43 1 0 0 0 0 8 26 1 0 0 0 0 8 27 2 0 0 0 0 9 28 1 0 0 0 0 9 29 2 0 0 0 0 10 29 1 0 0 0 0 10 31 2 0 0 0 0 11 30 2 0 0 0 0 11 31 1 0 0 0 0 12 30 1 0 0 0 0 12 52 1 0 0 0 0 12 53 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 25 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 26 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 24 2 0 0 0 0 22 42 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 26 28 2 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 28 46 1 0 0 0 0 31 32 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 M END $$$$