@MOLECULE DB04486 30 29 1 SMALL USER_CHARGES @ATOM 1 O1 4.2127 -3.5280 0.9385 O.2 1 noname -0.2496 2 C1 3.6941 -2.9410 -0.0356 C.2 1 noname 0.1437 3 O2 3.3659 -3.6357 -1.1457 O.3 1 noname -0.2140 4 C2 3.4432 -1.5041 0.0271 C.3 1 noname 0.0912 5 N1 4.1827 -0.8332 -1.0409 N.3 1 noname -0.3194 6 C3 1.9461 -1.2397 -0.1453 C.3 1 noname -0.0283 7 C4 1.6832 0.2661 -0.0796 C.3 1 noname -0.0513 8 C5 0.1861 0.5304 -0.2520 C.3 1 noname -0.0532 9 C6 -0.0768 2.0362 -0.1863 C.3 1 noname -0.0521 10 C7 -1.5739 2.3006 -0.3587 C.3 1 noname -0.0409 11 C8 -1.8368 3.8064 -0.2930 C.3 1 noname -0.0076 12 N2 -3.2673 4.0590 -0.4577 N.3 1 noname -0.3304 13 H1 3.4202 -4.5764 -0.9622 H 1 noname 0.2213 14 H2 3.8150 -1.1359 0.9833 H 1 noname 0.0571 15 H3 3.7190 -0.6015 -1.9077 H 1 noname 0.1191 16 H4 5.1572 -0.6015 -0.9118 H 1 noname 0.1191 17 H5 1.6838 -1.5612 -1.1533 H 1 noname 0.0288 18 H6 1.4469 -1.6842 0.7157 H 1 noname 0.0288 19 H7 1.9455 0.5876 0.9283 H 1 noname 0.0267 20 H8 2.1824 0.7105 -0.9406 H 1 noname 0.0267 21 H9 -0.0761 0.2089 -1.2600 H 1 noname 0.0266 22 H10 -0.3131 0.0860 0.6090 H 1 noname 0.0266 23 H11 0.1855 2.3577 0.8217 H 1 noname 0.0267 24 H12 0.4224 2.4807 -1.0473 H 1 noname 0.0267 25 H13 -1.8361 1.9791 -1.3667 H 1 noname 0.0279 26 H14 -2.0731 1.8561 0.5023 H 1 noname 0.0279 27 H15 -1.5870 4.1401 0.7142 H 1 noname 0.0425 28 H16 -1.3501 4.2631 -1.1548 H 1 noname 0.0425 29 H17 -3.6094 5.0076 -0.5146 H 1 noname 0.1184 30 H18 -3.9136 3.2849 -0.5146 H 1 noname 0.1184 @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 10 11 1 11 11 12 1 12 3 13 1 13 4 14 1 14 5 15 1 15 5 16 1 16 6 17 1 17 6 18 1 18 7 19 1 19 7 20 1 20 8 21 1 21 8 22 1 22 9 23 1 23 9 24 1 24 10 25 1 25 10 26 1 26 11 27 1 27 11 28 1 28 12 29 1 29 12 30 1 @SUBSTRUCTURE 1 noname 1