@MOLECULE 86278292 31 33 1 SMALL USER_CHARGES @ATOM 1 O1 -0.2354 3.0865 -1.0820 O.3 1 noname -0.3867 2 N1 -1.5091 1.4522 1.3548 N.2 1 noname -0.2386 3 N2 1.6497 -0.9430 2.4841 N.3 1 noname 0.0042 4 N3 -0.4270 0.0692 2.9387 N.2 1 noname -0.2245 5 N4 -0.5802 -6.9514 3.8839 N.1 1 noname -0.1846 6 C1 0.8180 0.9150 -1.4373 C.3 1 noname -0.0170 7 C2 -0.3980 1.6850 -0.8842 C.3 1 noname 0.0968 8 C3 1.6003 0.3112 -0.2552 C.3 1 noname 0.0323 9 C4 0.6186 0.4243 0.8198 C.2 1 noname 0.0218 10 C5 -0.4716 1.2304 0.5039 C.2 1 noname 0.0259 11 C6 0.6284 -0.1662 2.0980 C.2 1 noname 0.0413 12 C7 -1.4917 0.8620 2.5959 C.2 1 noname 0.0452 13 C8 1.1942 -2.1703 2.7700 C.2 1 noname -0.0179 14 C9 2.0758 -3.1572 3.1955 C.2 1 noname -0.0435 15 C10 -0.1599 -2.4566 2.6412 C.2 1 noname -0.0435 16 C11 1.6033 -4.4303 3.4921 C.2 1 noname -0.0171 17 C12 -0.6324 -3.7297 2.9378 C.2 1 noname -0.0171 18 C13 0.2492 -4.7166 3.3632 C.2 1 noname -0.0294 19 C14 -0.1900 -5.9000 3.6389 C.1 1 noname 0.0540 20 H1 0.4740 0.1144 -2.0921 H 1 noname 0.0300 21 H2 1.4518 1.5556 -2.0506 H 1 noname 0.0300 22 H3 -1.3006 1.3428 -1.3820 H 1 noname 0.0668 23 H4 1.8026 -0.7414 -0.4532 H 1 noname 0.0319 24 H5 2.5152 0.8330 0.0254 H 1 noname 0.0319 25 H6 -1.0161 3.5595 -0.7252 H 1 noname 0.2109 26 H7 2.3021 -0.9988 1.7684 H 1 noname 0.1357 27 H8 -2.2586 1.0114 3.2515 H 1 noname 0.1062 28 H9 3.0694 -2.9471 3.2900 H 1 noname 0.0639 29 H10 -0.8068 -1.7324 2.3290 H 1 noname 0.0639 30 H11 2.2502 -5.1545 3.8042 H 1 noname 0.0636 31 H12 -1.6260 -3.9398 2.8433 H 1 noname 0.0636 @BOND 1 1 7 1 2 1 25 1 3 2 10 1 4 2 12 2 5 3 11 1 6 3 13 1 7 3 26 1 8 4 11 2 9 4 12 1 10 5 19 3 11 6 7 1 12 6 8 1 13 6 20 1 14 6 21 1 15 7 10 1 16 7 22 1 17 8 9 1 18 8 23 1 19 8 24 1 20 9 10 2 21 9 11 1 22 12 27 1 23 13 14 2 24 13 15 1 25 14 16 1 26 14 28 1 27 15 17 2 28 15 29 1 29 16 18 2 30 16 30 1 31 17 18 1 32 17 31 1 33 18 19 1 @SUBSTRUCTURE 1 noname 1