@MOLECULE DB07532 34 33 1 SMALL USER_CHARGES @ATOM 1 O1 4.1635 -1.4265 -0.6670 O.2 1 noname -0.2494 2 C1 3.0240 -1.7466 -0.2650 C.2 1 noname 0.1440 3 O2 2.6967 -3.0496 -0.1317 O.3 1 noname -0.2138 4 C2 2.0472 -0.7115 0.0605 C.3 1 noname 0.1020 5 N1 0.9108 -0.8629 -0.7603 N.3 1 noname -0.0713 6 C3 1.6367 -0.8412 1.5287 C.3 1 noname -0.0044 7 C4 -0.1221 -0.0182 -0.6372 C.2 1 noname 0.0408 8 C5 2.8698 -0.6769 2.4194 C.3 1 noname 0.0452 9 O3 0.0747 1.1601 -0.2690 O.2 1 noname -0.2961 10 C6 -1.4772 -0.4739 -0.9329 C.3 1 noname 0.0212 11 O4 2.4889 -0.7972 3.7821 O.3 1 noname -0.3961 12 C7 -2.1155 -1.0353 0.3392 C.3 1 noname -0.0450 13 C8 -3.5356 -1.5130 0.0292 C.3 1 noname -0.0531 14 C9 -4.1739 -2.0744 1.3014 C.3 1 noname -0.0561 15 C10 -5.5940 -2.5520 0.9914 C.3 1 noname -0.0654 16 H1 2.6408 -3.2717 0.8006 H 1 noname 0.2213 17 H2 2.4698 0.2644 -0.1782 H 1 noname 0.0579 18 H3 0.8348 -1.5940 -1.4531 H 1 noname 0.1318 19 H4 0.9771 -0.0011 1.7464 H 1 noname 0.0311 20 H5 1.2822 -1.8626 1.6673 H 1 noname 0.0311 21 H6 3.5381 -1.5167 2.2291 H 1 noname 0.0564 22 H7 3.2330 0.3448 2.3081 H 1 noname 0.0564 23 H8 -2.0377 0.4167 -1.2170 H 1 noname 0.0361 24 H9 -1.3691 -1.2979 -1.6383 H 1 noname 0.0361 25 H10 2.4237 -1.7262 4.0153 H 1 noname 0.2100 26 H11 -1.5400 -1.9185 0.6166 H 1 noname 0.0271 27 H12 -2.2086 -0.2039 1.0378 H 1 noname 0.0271 28 H13 -4.1111 -0.6298 -0.2482 H 1 noname 0.0266 29 H14 -3.4425 -2.3444 -0.6694 H 1 noname 0.0266 30 H15 -3.5984 -2.9575 1.5788 H 1 noname 0.0264 31 H16 -4.2670 -1.2429 2.0000 H 1 noname 0.0264 32 H17 -6.1286 -2.7318 1.9242 H 1 noname 0.0230 33 H18 -6.1163 -1.7887 0.4146 H 1 noname 0.0230 34 H19 -5.5489 -3.4758 0.4146 H 1 noname 0.0230 @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 12 13 1 13 13 14 1 14 14 15 1 15 3 16 1 16 4 17 1 17 5 18 1 18 6 19 1 19 6 20 1 20 8 21 1 21 8 22 1 22 10 23 1 23 10 24 1 24 11 25 1 25 12 26 1 26 12 27 1 27 13 28 1 28 13 29 1 29 14 30 1 30 14 31 1 31 15 32 1 32 15 33 1 33 15 34 1 @SUBSTRUCTURE 1 noname 1