BTN1P4 -OEChem-04042102003D 28 29 0 0 0 0 0 0 0999 V2000 -4.6637 -0.3261 1.4264 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0453 2.3772 -0.3495 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4552 0.0083 -0.1552 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3514 -2.5537 0.0801 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4033 -1.2140 -0.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3852 1.1918 -0.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0914 -0.0071 -0.1295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3022 -0.0232 -0.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9906 1.1837 -0.2003 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0086 -1.2220 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1211 -2.4776 0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1264 -0.0305 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7576 -0.0434 0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5677 0.1719 -1.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3835 3.0580 0.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3276 -0.0365 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9504 0.1040 -0.7551 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1445 -0.1607 0.5827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4472 2.1231 -0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -2.1628 0.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5088 -3.3904 0.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8242 -0.8774 -0.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1962 0.3696 -2.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9124 3.9783 0.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0415 2.4408 1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4791 3.3209 1.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7615 0.2423 -1.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0851 -0.2648 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 18 1 0 0 0 0 2 6 1 0 0 0 0 2 15 1 0 0 0 0 3 7 1 0 0 0 0 3 22 1 0 0 0 0 4 11 2 0 0 0 0 5 7 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 12 16 3 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 17 18 2 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 M END $$$$