B2V0HF -OEChem-04022106373D 29 30 0 0 0 0 0 0 0999 V2000 -2.8218 2.4746 0.0535 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5595 -0.8696 -0.6306 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2544 2.1627 0.8094 O 0 5 0 0 0 0 0 0 0 0 0 0 2.4344 2.2525 -1.2249 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6599 -0.2871 0.4532 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1249 0.3758 -1.1119 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5229 1.7056 -0.1003 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6581 -0.3857 1.4944 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2718 -0.5066 0.9306 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4812 0.6398 0.6765 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2627 -1.7663 0.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7685 0.5265 0.1517 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1802 0.8723 -0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2827 -1.3922 -0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3029 -0.7332 -0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5499 -1.8796 0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1554 -0.9921 -1.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0182 -2.1974 -0.8739 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8908 -1.2418 2.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7202 0.5027 2.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0775 1.6226 0.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3145 -2.6666 0.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0531 -2.3950 0.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -2.8906 -0.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6934 0.9260 -1.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8092 -1.5784 -1.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0932 -2.7760 0.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4130 -2.7017 -1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0324 -2.1176 -1.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 7 1 0 0 0 0 4 7 2 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 6 25 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 11 16 2 0 0 0 0 11 22 1 0 0 0 0 12 15 2 0 0 0 0 14 17 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 16 24 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 M CHG 2 3 -1 7 1 M END $$$$