@MOLECULE DB01107 30 30 1 SMALL USER_CHARGES @ATOM 1 O1 0.3062 -0.6023 2.1342 O.2 1 noname -0.2923 2 C1 0.0292 -0.2128 0.9792 C.2 1 noname 0.0441 3 N1 0.9789 -0.2168 -0.1742 N.3 1 noname -0.0756 4 C2 -1.3502 0.3441 0.5379 C.3 1 noname 0.1020 5 C3 1.2362 1.0966 -0.8363 C.3 1 noname 0.0122 6 C4 -1.1505 1.7250 -0.1691 C.2 1 noname 0.1462 7 C5 -2.2440 0.5247 1.7665 C.3 1 noname -0.0351 8 C6 -1.9180 -0.5960 -0.5273 C.3 1 noname -0.0351 9 C7 -0.1034 1.7169 -1.3309 C.3 1 noname 0.0289 10 O2 -1.7776 2.7526 0.1675 O.2 1 noname -0.2927 11 C8 -1.5845 1.5063 2.7371 C.3 1 noname -0.0639 12 C9 -2.0774 -1.9985 0.0629 C.3 1 noname -0.0639 13 C10 0.1429 3.1504 -1.8055 C.3 1 noname -0.0543 14 H1 1.4251 -1.0658 -0.4909 H 1 noname 0.1310 15 H2 1.6306 1.7509 -0.0588 H 1 noname 0.0440 16 H3 1.8372 0.8741 -1.7180 H 1 noname 0.0440 17 H4 -3.1641 0.9952 1.4198 H 1 noname 0.0279 18 H5 -2.2823 -0.4401 2.2722 H 1 noname 0.0279 19 H6 -2.9203 -0.2373 -0.7615 H 1 noname 0.0279 20 H7 -1.1677 -0.6693 -1.3146 H 1 noname 0.0279 21 H8 -0.4855 1.1343 -2.1691 H 1 noname 0.0393 22 H9 -1.7914 1.1983 3.7620 H 1 noname 0.0231 23 H10 -0.5073 1.5137 2.5705 H 1 noname 0.0231 24 H11 -1.9848 2.5064 2.5705 H 1 noname 0.0231 25 H12 -2.0705 -1.9377 1.1512 H 1 noname 0.0231 26 H13 -3.0220 -2.4280 -0.2710 H 1 noname 0.0231 27 H14 -1.2534 -2.6290 -0.2710 H 1 noname 0.0231 28 H15 0.2554 3.8050 -0.9412 H 1 noname 0.0238 29 H16 1.0515 3.1830 -2.4067 H 1 noname 0.0238 30 H17 -0.7027 3.4844 -2.4067 H 1 noname 0.0238 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 1 6 4 7 1 7 4 8 1 8 5 9 1 9 6 10 2 10 6 9 1 11 7 11 1 12 8 12 1 13 9 13 1 14 3 14 1 15 5 15 1 16 5 16 1 17 7 17 1 18 7 18 1 19 8 19 1 20 8 20 1 21 9 21 1 22 11 22 1 23 11 23 1 24 11 24 1 25 12 25 1 26 12 26 1 27 12 27 1 28 13 28 1 29 13 29 1 30 13 30 1 @SUBSTRUCTURE 1 noname 1