BTN45D -OEChem-04012115253D 45 44 0 1 0 0 0 0 0999 V2000 -0.1511 -1.6183 -0.2213 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1707 -2.2003 1.1079 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7607 -2.3256 -1.3324 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0706 1.9333 -0.0033 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4288 -0.1587 0.3226 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2935 0.9534 -1.9387 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1141 -0.4721 -1.5439 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4787 -1.2557 -0.6218 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8389 -0.0496 -0.1523 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1864 -0.2389 0.1802 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1088 0.1240 0.5907 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4399 -0.8313 0.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2199 1.5424 1.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 -1.2768 -0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1354 -1.9871 1.8109 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1020 1.8848 2.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2781 2.5993 0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5037 0.9263 -0.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2430 -0.2094 -0.3551 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4366 3.1020 -0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5968 -0.4418 -0.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 0.1379 0.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1405 -0.5976 1.4156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9127 -0.0399 1.4488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1661 1.6064 1.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7229 -1.2593 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8196 0.4757 -1.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0774 -2.0744 -0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7826 -0.4466 -0.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3687 -1.6614 0.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7337 -2.8570 1.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0441 -2.3049 2.3332 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4064 -1.6786 2.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0480 1.1342 2.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2852 2.8578 2.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1259 1.9301 1.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4204 3.5953 0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1140 2.4275 -0.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3535 2.6295 -0.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8747 3.8221 -0.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5511 3.5515 -1.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1820 2.8501 -1.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4677 -0.3698 0.2024 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5453 -1.4568 -0.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7024 0.2917 -1.2594 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 8 1 0 0 0 0 1 9 1 0 0 0 0 4 18 1 0 0 0 0 4 20 1 0 0 0 0 5 19 1 0 0 0 0 5 21 1 0 0 0 0 6 18 2 0 0 0 0 7 19 2 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 11 23 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 25 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 M END $$$$