@MOLECULE DB06732 33 36 1 SMALL USER_CHARGES @ATOM 1 O1 2.1685 -0.9461 -0.0047 O.2 1 noname -0.2935 2 C1 1.4809 0.0976 0.0151 C.2 1 noname 0.0916 3 C2 0.0714 -0.0310 0.2123 C.2 1 noname 0.0291 4 C3 2.1419 1.3274 -0.1583 C.2 1 noname 0.0707 5 C4 -0.6939 1.1915 0.1671 C.2 1 noname 0.0448 6 C5 -0.6385 -1.2525 0.4892 C.2 1 noname -0.0009 7 C6 1.3596 2.4993 -0.1370 C.2 1 noname 0.0083 8 O2 -0.0118 2.3929 0.0061 O.3 1 noname -0.1972 9 C7 -2.1048 1.2114 0.2766 C.2 1 noname -0.0069 10 C8 -2.0962 -1.2067 0.5583 C.2 1 noname -0.0360 11 C9 0.0271 -2.4984 0.7574 C.2 1 noname -0.0361 12 C10 1.9592 3.7474 -0.2585 C.2 1 noname -0.0276 13 C11 -2.8022 0.0060 0.4318 C.2 1 noname -0.0205 14 C12 -2.8556 -2.3834 0.8313 C.2 1 noname -0.0482 15 C13 -0.7378 -3.6626 1.0362 C.2 1 noname -0.0554 16 C14 1.1797 4.8981 -0.2365 C.2 1 noname -0.0336 17 C15 3.3383 3.8449 -0.4020 C.2 1 noname -0.0336 18 C16 -2.1674 -3.6056 1.0537 C.2 1 noname -0.0569 19 C17 1.7794 6.1462 -0.3580 C.2 1 noname -0.0527 20 C18 3.9380 5.0930 -0.5235 C.2 1 noname -0.0527 21 C19 3.1585 6.2436 -0.5015 C.2 1 noname -0.0527 22 H1 3.2212 1.3707 -0.3038 H 1 noname 0.0691 23 H2 -2.6529 2.1529 0.2415 H 1 noname 0.0650 24 H3 1.1153 -2.5605 0.7494 H 1 noname 0.0629 25 H4 -3.8920 0.0116 0.4542 H 1 noname 0.0630 26 H5 -3.9444 -2.3491 0.8694 H 1 noname 0.0629 27 H6 -0.2256 -4.6035 1.2374 H 1 noname 0.0622 28 H7 0.0982 4.8217 -0.1240 H 1 noname 0.0629 29 H8 3.9496 2.9425 -0.4193 H 1 noname 0.0629 30 H9 -2.7439 -4.5116 1.2403 H 1 noname 0.0622 31 H10 1.1681 7.0485 -0.3407 H 1 noname 0.0622 32 H11 5.0195 5.1694 -0.6360 H 1 noname 0.0622 33 H12 3.6287 7.2224 -0.5967 H 1 noname 0.0622 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 2 5 3 6 1 6 4 7 2 7 5 8 1 8 5 9 1 9 6 10 1 10 6 11 2 11 7 12 1 12 7 8 1 13 9 13 2 14 10 14 2 15 10 13 1 16 11 15 1 17 12 16 2 18 12 17 1 19 14 18 1 20 15 18 2 21 16 19 1 22 17 20 2 23 19 21 2 24 20 21 1 25 4 22 1 26 9 23 1 27 11 24 1 28 13 25 1 29 14 26 1 30 15 27 1 31 16 28 1 32 17 29 1 33 18 30 1 34 19 31 1 35 20 32 1 36 21 33 1 @SUBSTRUCTURE 1 noname 1