@MOLECULE DB02370 33 32 1 SMALL USER_CHARGES @ATOM 1 O1 4.0743 -3.4695 0.8807 O.2 1 noname -0.2496 2 C1 3.6735 -2.8916 -0.1527 C.2 1 noname 0.1437 3 O2 3.5051 -3.5911 -1.2950 O.3 1 noname -0.2140 4 C2 3.3876 -1.4601 -0.1243 C.3 1 noname 0.0912 5 N1 4.2446 -0.7728 -1.0890 N.3 1 noname -0.3194 6 C3 1.9201 -1.2259 -0.4882 C.3 1 noname -0.0283 7 C4 1.6205 0.2742 -0.4585 C.3 1 noname -0.0501 8 C5 0.1530 0.5085 -0.8224 C.3 1 noname -0.0405 9 C6 -0.1467 2.0085 -0.7927 C.3 1 noname -0.0041 10 N2 -1.5490 2.2324 -1.1404 N.3 1 noname -0.3056 11 C7 -1.8353 3.6658 -1.1120 C.3 1 noname 0.0909 12 C8 -3.2357 3.8893 -1.4593 C.2 1 noname 0.1436 13 C9 -1.5643 4.2123 0.2911 C.3 1 noname -0.0401 14 O3 -3.5292 4.5834 -2.4565 O.2 1 noname -0.2497 15 O4 -4.2135 3.3464 -0.7033 O.3 1 noname -0.2140 16 H1 3.5336 -4.5310 -1.1018 H 1 noname 0.2213 17 H2 3.6258 -1.0860 0.8714 H 1 noname 0.0571 18 H3 5.0879 -1.2177 -1.4222 H 1 noname 0.1191 19 H4 3.9934 0.1470 -1.4222 H 1 noname 0.1191 20 H5 1.7963 -1.5511 -1.5212 H 1 noname 0.0288 21 H6 1.3234 -1.6817 0.3019 H 1 noname 0.0288 22 H7 1.7443 0.5994 0.5745 H 1 noname 0.0268 23 H8 2.2172 0.7300 -1.2486 H 1 noname 0.0268 24 H9 0.0291 0.1833 -1.8554 H 1 noname 0.0279 25 H10 -0.4438 0.0527 -0.0323 H 1 noname 0.0279 26 H11 -0.0354 2.3457 0.2379 H 1 noname 0.0428 27 H12 0.4375 2.4763 -1.5852 H 1 noname 0.0428 28 H13 -2.2166 1.5087 -1.3654 H 1 noname 0.1229 29 H14 -1.2167 4.1526 -1.8660 H 1 noname 0.0570 30 H15 -1.4303 3.3822 0.9847 H 1 noname 0.0252 31 H16 -0.6609 4.8220 0.2753 H 1 noname 0.0252 32 H17 -2.4085 4.8220 0.6129 H 1 noname 0.0252 33 H18 -4.0022 3.4637 0.2258 H 1 noname 0.2213 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 4 5 1 5 4 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 11 10 1 11 11 12 1 12 11 13 1 13 12 14 2 14 12 15 1 15 3 16 1 16 4 17 1 17 5 18 1 18 5 19 1 19 6 20 1 20 6 21 1 21 7 22 1 22 7 23 1 23 8 24 1 24 8 25 1 25 9 26 1 26 9 27 1 27 10 28 1 28 11 29 1 29 13 30 1 30 13 31 1 31 13 32 1 32 15 33 1 @SUBSTRUCTURE 1 noname 1