@MOLECULE DB03582 32 31 1 SMALL USER_CHARGES @ATOM 1 O1 2.9774 1.1589 -1.4303 O.2 1 noname -0.2494 2 C1 1.8906 0.5438 -1.3769 C.2 1 noname 0.1440 3 O2 1.1732 0.3420 -2.5026 O.3 1 noname -0.2138 4 C2 1.3733 0.0196 -0.0358 C.3 1 noname 0.0999 5 N1 -0.0366 0.0060 -0.0487 N.3 1 noname -0.0712 6 C3 1.8711 -1.3356 0.1817 C.3 1 noname -0.0265 7 C4 -0.7159 1.1460 -0.2345 C.2 1 noname 0.0410 8 C5 1.3538 -1.8598 1.5228 C.3 1 noname -0.0389 9 O3 -1.9658 1.1339 -0.2459 O.2 1 noname -0.2959 10 C6 0.0038 2.4021 -0.4235 C.3 1 noname 0.0305 11 C7 1.8755 -3.2800 1.7507 C.3 1 noname -0.0076 12 C8 -0.3855 3.3844 0.6831 C.3 1 noname 0.0417 13 N2 1.3812 -3.7809 3.0322 N.3 1 noname -0.3304 14 C9 0.3342 4.6406 0.4941 C.2 1 noname 0.1350 15 O4 0.1615 5.5862 1.2931 O.2 1 noname -0.2558 16 O5 1.1862 4.7808 -0.5437 O.3 1 noname -0.2188 17 H1 1.0758 -0.6008 -2.6553 H 1 noname 0.2213 18 H2 1.6661 0.6458 0.8069 H 1 noname 0.0578 19 H3 -0.5727 -0.8406 0.0781 H 1 noname 0.1318 20 H4 1.4279 -1.9475 -0.6040 H 1 noname 0.0288 21 H5 2.9549 -1.2482 0.2583 H 1 noname 0.0288 22 H6 1.7968 -1.2338 2.2973 H 1 noname 0.0280 23 H7 0.2698 -1.9331 1.4350 H 1 noname 0.0280 24 H8 1.0599 2.1646 -0.2963 H 1 noname 0.0366 25 H9 -0.3526 2.8125 -1.3683 H 1 noname 0.0366 26 H10 1.4323 -3.9195 0.9873 H 1 noname 0.0425 27 H11 2.9593 -3.2202 1.8496 H 1 noname 0.0425 28 H12 -1.4416 3.6220 0.5559 H 1 noname 0.0377 29 H13 -0.0291 2.9740 1.6279 H 1 noname 0.0377 30 H14 2.0266 -3.9539 3.7896 H 1 noname 0.1184 31 H15 0.3944 -3.9539 3.1601 H 1 noname 0.1184 32 H16 1.4478 3.9139 -0.8624 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 5 7 1 7 6 8 1 8 7 9 2 9 7 10 1 10 8 11 1 11 10 12 1 12 11 13 1 13 12 14 1 14 14 15 2 15 14 16 1 16 3 17 1 17 4 18 1 18 5 19 1 19 6 20 1 20 6 21 1 21 8 22 1 22 8 23 1 23 10 24 1 24 10 25 1 25 11 26 1 26 11 27 1 27 12 28 1 28 12 29 1 29 13 30 1 30 13 31 1 31 16 32 1 @SUBSTRUCTURE 1 noname 1