@MOLECULE DB02380 30 32 1 SMALL USER_CHARGES @ATOM 1 O1 1.7283 11.1769 0.3593 O.2 1 noname -0.2766 2 C1 2.2030 10.0937 0.7638 C.2 1 noname 0.0827 3 N1 3.4566 10.0209 1.3168 N.3 1 noname 0.0445 4 C2 1.4762 8.8908 0.6733 C.2 1 noname 0.0926 5 C3 4.0342 8.8624 1.7726 C.2 1 noname -0.0128 6 N2 0.2451 8.6536 0.2174 N.2 1 noname -0.1990 7 C4 2.0736 7.7088 1.1198 C.2 1 noname 0.0376 8 N3 3.3370 7.6900 1.6670 N.2 1 noname -0.2087 9 C5 0.0746 7.3293 0.3545 C.2 1 noname -0.0233 10 N4 1.1795 6.7362 0.8731 N.3 1 noname 0.0223 11 C6 1.4287 5.3379 1.1115 C.3 1 noname 0.1330 12 O2 2.5521 4.9071 0.3576 O.3 1 noname -0.3512 13 C7 0.3269 4.3168 0.7626 C.3 1 noname 0.0195 14 C8 2.5575 3.5067 0.6152 C.3 1 noname 0.1090 15 C9 1.1048 3.0221 0.6152 C.3 1 noname 0.0867 16 C10 3.3349 2.7879 -0.4893 C.3 1 noname 0.0721 17 O3 0.8792 2.2023 1.7525 O.3 1 noname -0.3900 18 O4 4.6706 3.2691 -0.5181 O.3 1 noname -0.3934 19 H1 3.9889 10.8758 1.3932 H 1 noname 0.1384 20 H2 5.0317 8.8734 2.2119 H 1 noname 0.0977 21 H3 -0.8407 6.8046 0.0808 H 1 noname 0.1016 22 H4 1.6108 5.3808 2.1853 H 1 noname 0.0824 23 H5 -0.3339 4.2155 1.6235 H 1 noname 0.0338 24 H6 -0.0848 4.5743 -0.2132 H 1 noname 0.0338 25 H7 3.0408 3.3667 1.5822 H 1 noname 0.0655 26 H8 0.8106 2.3941 -0.2257 H 1 noname 0.0630 27 H9 3.4109 1.7349 -0.2183 H 1 noname 0.0591 28 H10 2.9020 3.0741 -1.4479 H 1 noname 0.0591 29 H11 0.9301 1.2785 1.4962 H 1 noname 0.2105 30 H12 4.9888 3.3837 0.3804 H 1 noname 0.2101 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 1 6 4 7 2 7 5 8 2 8 6 9 2 9 7 10 1 10 7 8 1 11 9 10 1 12 11 10 1 13 11 12 1 14 11 13 1 15 12 14 1 16 13 15 1 17 14 16 1 18 14 15 1 19 15 17 1 20 16 18 1 21 3 19 1 22 5 20 1 23 9 21 1 24 11 22 1 25 13 23 1 26 13 24 1 27 14 25 1 28 15 26 1 29 16 27 1 30 16 28 1 31 17 29 1 32 18 30 1 @SUBSTRUCTURE 1 noname 1