@MOLECULE 91864480 34 33 1 SMALL USER_CHARGES @ATOM 1 O1 0.7688 0.5037 -1.2050 O.3 1 noname -0.3889 2 O2 -2.2621 7.3813 3.1224 O.2 1 noname -0.3008 3 C1 -0.9652 2.2132 0.1503 C.3 1 noname -0.0505 4 C2 -1.7212 3.5408 0.2329 C.3 1 noname -0.0528 5 C3 -1.3356 1.4953 -1.1491 C.3 1 noname -0.0233 6 C4 -1.3508 4.2587 1.5322 C.3 1 noname -0.0464 7 C5 -0.6290 0.2545 -1.2263 C.3 1 noname 0.0731 8 C6 -2.1068 5.5863 1.6148 C.3 1 noname 0.0058 9 C7 -1.7534 6.2713 2.8547 C.2 1 noname 0.1305 10 C8 -0.9994 -0.4634 -2.5256 C.2 1 noname -0.0378 11 C9 -0.8057 5.6599 3.7819 C.3 1 noname -0.0057 12 C10 -0.4581 -1.6444 -2.8105 C.2 1 noname -0.0348 13 C11 -0.7637 -2.2365 -3.8822 C.1 1 noname -0.0339 14 C12 -1.0527 -2.7967 -4.8962 C.1 1 noname -0.0306 15 C13 -1.3418 -3.3570 -5.9103 C.1 1 noname -0.0445 16 C14 -1.6309 -3.9172 -6.9243 C.1 1 noname -0.0745 17 H1 -1.2357 1.5876 1.0009 H 1 noname 0.0267 18 H2 0.1078 2.4045 0.1666 H 1 noname 0.0267 19 H3 -2.7942 3.3495 0.2166 H 1 noname 0.0267 20 H4 -1.4507 4.1665 -0.6177 H 1 noname 0.0267 21 H5 -2.4086 1.3041 -1.1654 H 1 noname 0.0296 22 H6 -1.0651 2.1210 -1.9997 H 1 noname 0.0296 23 H7 -1.6213 3.6330 2.3828 H 1 noname 0.0271 24 H8 -0.2778 4.4500 1.5485 H 1 noname 0.0271 25 H9 -0.8995 -0.3711 -0.3757 H 1 noname 0.0645 26 H10 -3.1798 5.3950 1.5985 H 1 noname 0.0346 27 H11 -1.8363 6.2119 0.7642 H 1 noname 0.0346 28 H12 -1.6420 -0.0488 -3.1544 H 1 noname 0.0609 29 H13 1.0120 1.0662 -1.9698 H 1 noname 0.2108 30 H14 -1.2905 5.5019 4.7453 H 1 noname 0.0310 31 H15 -0.4721 4.7025 3.3817 H 1 noname 0.0310 32 H16 0.0529 6.3188 3.9110 H 1 noname 0.0310 33 H17 0.1844 -2.0590 -2.1817 H 1 noname 0.0717 34 H18 -1.8541 -4.3498 -7.7073 H 1 noname 0.1248 @BOND 1 1 7 1 2 1 29 1 3 2 9 2 4 3 4 1 5 3 5 1 6 3 17 1 7 3 18 1 8 4 6 1 9 4 19 1 10 4 20 1 11 5 7 1 12 5 21 1 13 5 22 1 14 6 8 1 15 6 23 1 16 6 24 1 17 7 10 1 18 7 25 1 19 8 9 1 20 8 26 1 21 8 27 1 22 9 11 1 23 10 12 2 24 10 28 1 25 11 30 1 26 11 31 1 27 11 32 1 28 12 13 1 29 12 33 1 30 13 14 3 31 14 15 1 32 15 16 3 33 16 34 1 @SUBSTRUCTURE 1 noname 1