B38NPW -OEChem-04012113032D 27 28 0 0 0 0 0 0 0999 V2000 5.1350 1.9503 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.5497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1056 3.4448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9146 2.0436 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.9503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.4503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0837 3.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 2.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 0.3677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 1.0580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -0.7397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6448 3.8597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3359 4.2191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2003 2.7219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.8597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 12 1 0 0 0 0 2 26 1 0 0 0 0 3 8 2 0 0 0 0 4 14 1 0 0 0 0 4 27 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 23 1 0 0 0 0 6 15 2 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 11 13 2 0 0 0 0 11 21 1 0 0 0 0 12 14 2 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 16 17 2 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 M END $$$$