B3LM2P -OEChem-04042101563D 36 37 0 1 0 0 0 0 0999 V2000 -0.5531 3.2414 -0.5446 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4255 2.1711 1.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0238 -0.9276 0.2838 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8263 1.8632 -0.7559 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4582 1.1232 -0.4802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8219 -0.2361 0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0694 0.4154 -1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0076 1.1635 0.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9421 1.3747 0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2582 -0.2684 -1.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1965 0.4798 1.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4307 0.0069 0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3503 -2.1318 -0.4536 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9548 -0.4352 1.2798 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4103 -0.6812 -1.0901 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9192 -0.6176 1.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8788 -1.9935 -1.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3874 -1.9299 1.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3672 -2.6177 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1581 1.7693 -1.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6415 0.3862 -2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5334 1.7109 1.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7256 -0.8062 -2.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6024 0.5146 2.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7514 -1.8848 -1.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4743 -2.7795 -0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1090 -2.7229 0.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0652 0.6535 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9536 -0.8612 1.1322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6258 -0.7096 2.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0550 -0.2229 -2.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9383 -0.0999 2.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3787 3.3885 0.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8669 -2.5281 -2.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7668 -2.4167 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7325 -3.6393 -0.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 33 1 0 0 0 0 2 9 2 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 20 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 7 21 1 0 0 0 0 8 11 2 0 0 0 0 8 22 1 0 0 0 0 9 12 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 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 17 1 0 0 0 0 15 31 1 0 0 0 0 16 18 2 0 0 0 0 16 32 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 M END $$$$