BW3D4X -OEChem-04012113403D 27 27 0 0 0 0 0 0 0999 V2000 1.7783 -0.2591 0.3272 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1311 -1.6594 0.1551 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1563 0.4443 1.5429 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7476 0.5521 -0.9970 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3195 0.6189 -1.0468 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0405 -0.0964 0.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5446 1.1698 0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7557 -1.2331 0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7221 0.1626 -0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 1.2993 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 -1.1037 -0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2758 2.4098 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1643 -2.6056 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1992 0.3007 -0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3884 2.2836 -0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7639 -1.9853 -0.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8537 2.4195 1.2153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9199 2.5806 -0.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3719 3.2939 0.3495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4481 -2.7872 -0.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -2.8349 0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 -3.3572 -0.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7238 -0.5595 0.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5696 1.1921 0.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4601 0.3771 -1.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9906 0.2840 -1.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0245 1.1497 -1.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 11 2 0 0 0 0 8 13 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 M END $$$$