@MOLECULE 109374181 32 31 1 SMALL USER_CHARGES @ATOM 1 O1 6.3879 -1.2413 -2.4083 O.2 1 noname -0.3066 2 C1 1.8946 -0.7862 -0.7338 C.3 1 noname -0.0494 3 C2 1.1149 0.0241 0.3070 C.3 1 noname -0.0350 4 C3 3.3514 -0.2943 -0.7188 C.3 1 noname -0.0464 5 C4 -1.4529 2.1764 -1.9309 C.3 1 noname -0.0501 6 C5 -1.0465 1.9439 -0.4690 C.3 1 noname -0.0350 7 C6 -1.1074 3.6309 -2.3329 C.3 1 noname -0.0559 8 C7 -0.3003 -0.3094 0.2557 C.2 1 noname -0.0885 9 C8 -1.2699 0.5484 -0.0912 C.2 1 noname -0.0885 10 C9 4.1755 -1.1232 -1.6959 C.3 1 noname 0.0030 11 C10 -1.5300 3.9165 -3.7676 C.3 1 noname -0.0654 12 C11 5.5591 -0.6728 -1.6736 C.2 1 noname 0.1230 13 H1 1.4494 -0.6287 -1.7287 H 1 noname 0.0270 14 H2 1.8214 -1.8363 -0.4380 H 1 noname 0.0270 15 H3 1.3749 1.0541 0.0792 H 1 noname 0.0309 16 H4 1.4607 -0.0965 1.3430 H 1 noname 0.0309 17 H5 3.3903 0.7675 -1.0092 H 1 noname 0.0271 18 H6 3.7437 -0.3895 0.3007 H 1 noname 0.0271 19 H7 -2.5292 1.9990 -1.9834 H 1 noname 0.0269 20 H8 -0.9112 1.4564 -2.5654 H 1 noname 0.0269 21 H9 -1.5693 2.5731 0.2665 H 1 noname 0.0309 22 H10 -0.0141 2.2802 -0.4019 H 1 noname 0.0309 23 H11 -1.6133 4.3236 -1.6604 H 1 noname 0.0264 24 H12 -0.0295 3.7727 -2.2554 H 1 noname 0.0264 25 H13 -0.5618 -1.2539 0.4902 H 1 noname 0.0572 26 H14 -2.2184 0.2060 -0.0998 H 1 noname 0.0572 27 H15 3.7717 -1.0068 -2.7017 H 1 noname 0.0343 28 H16 4.1524 -2.1892 -1.4698 H 1 noname 0.0343 29 H17 -1.2754 4.9450 -4.0235 H 1 noname 0.0230 30 H18 -2.6063 3.7737 -3.8646 H 1 noname 0.0230 31 H19 -1.0109 3.2352 -4.4418 H 1 noname 0.0230 32 H20 5.8498 0.0958 -1.0666 H 1 noname 0.1041 @BOND 1 1 12 2 2 2 3 1 3 2 4 1 4 2 13 1 5 2 14 1 6 3 8 1 7 3 15 1 8 3 16 1 9 4 10 1 10 4 17 1 11 4 18 1 12 5 6 1 13 5 7 1 14 5 19 1 15 5 20 1 16 6 9 1 17 6 21 1 18 6 22 1 19 7 11 1 20 7 23 1 21 7 24 1 22 8 9 2 23 8 25 1 24 9 26 1 25 10 12 1 26 10 27 1 27 10 28 1 28 11 29 1 29 11 30 1 30 11 31 1 31 12 32 1 @SUBSTRUCTURE 1 noname 1