@MOLECULE 76968550 30 32 1 SMALL USER_CHARGES @ATOM 1 O1 0.3659 -1.6681 1.9740 O.2 1 noname -0.2893 2 N1 0.0234 0.0985 0.4313 N.3 1 noname 0.0415 3 N2 -2.0779 0.8726 -0.0469 N.2 1 noname -0.2607 4 C1 1.3178 1.6626 -0.6239 C.3 1 noname 0.0041 5 C2 1.3440 0.2448 -0.0173 C.3 1 noname 0.0193 6 C3 -0.1383 1.8666 -1.0247 C.3 1 noname 0.0084 7 C4 -0.8041 0.9078 -0.2021 C.2 1 noname -0.0282 8 C5 2.1371 1.8589 -1.8984 C.2 1 noname -0.0528 9 C6 -0.3822 -0.7893 1.4937 C.2 1 noname 0.0736 10 C7 -1.8435 -0.5486 1.9865 C.3 1 noname 0.0415 11 C8 -2.7215 -0.0730 0.7863 C.3 1 noname 0.0488 12 C9 3.1719 2.7866 -1.9235 C.2 1 noname -0.0559 13 C10 1.8477 1.1097 -3.0329 C.2 1 noname -0.0559 14 C11 3.9172 2.9652 -3.0831 C.2 1 noname -0.0602 15 C12 2.5930 1.2883 -4.1925 C.2 1 noname -0.0602 16 C13 3.6278 2.2160 -4.2176 C.2 1 noname -0.0615 17 H1 1.6104 2.4028 0.1302 H 1 noname 0.0370 18 H2 1.5434 -0.4832 -0.8037 H 1 noname 0.0446 19 H3 2.0904 0.0806 0.7599 H 1 noname 0.0446 20 H4 -0.4557 2.8704 -0.7423 H 1 noname 0.0349 21 H5 -0.3706 1.6740 -2.0721 H 1 noname 0.0349 22 H6 -2.2492 -1.4772 2.3879 H 1 noname 0.0380 23 H7 -1.8268 0.2808 2.6936 H 1 noname 0.0380 24 H8 -3.6534 0.3492 1.1626 H 1 noname 0.0520 25 H9 -2.9671 -0.9249 0.1522 H 1 noname 0.0520 26 H10 3.3842 3.3364 -1.0910 H 1 noname 0.0625 27 H11 1.0883 0.4289 -3.0145 H 1 noname 0.0625 28 H12 4.6766 3.6460 -3.1015 H 1 noname 0.0622 29 H13 2.3807 0.7385 -5.0250 H 1 noname 0.0622 30 H14 4.1748 2.3471 -5.0685 H 1 noname 0.0622 @BOND 1 1 9 2 2 2 5 1 3 2 7 1 4 2 9 1 5 3 7 2 6 3 11 1 7 4 5 1 8 4 6 1 9 4 8 1 10 4 17 1 11 5 18 1 12 5 19 1 13 6 7 1 14 6 20 1 15 6 21 1 16 8 12 2 17 8 13 1 18 9 10 1 19 10 11 1 20 10 22 1 21 10 23 1 22 11 24 1 23 11 25 1 24 12 14 1 25 12 26 1 26 13 15 2 27 13 27 1 28 14 16 2 29 14 28 1 30 15 16 1 31 15 29 1 32 16 30 1 @SUBSTRUCTURE 1 noname 1