@MOLECULE 109374043 32 31 1 SMALL USER_CHARGES @ATOM 1 O1 6.1967 -3.8498 0.3452 O.2 1 noname -0.3066 2 C1 2.0299 -1.4169 0.0142 C.3 1 noname -0.0526 3 C2 1.4863 0.0133 0.0097 C.3 1 noname -0.0498 4 C3 3.5519 -1.3835 0.1672 C.3 1 noname -0.0466 5 C4 -0.0357 -0.0201 -0.1432 C.3 1 noname -0.0350 6 C5 4.0954 -2.8137 0.1717 C.3 1 noname 0.0030 7 C6 -0.5438 1.3166 -0.1474 C.2 1 noname -0.0885 8 C7 -2.3587 2.8676 -0.2746 C.3 1 noname -0.0353 9 C8 -1.8506 1.5309 -0.2703 C.2 1 noname -0.0885 10 C9 -3.3342 3.0461 0.8906 C.3 1 noname -0.0527 11 C10 5.5478 -2.7818 0.3176 C.2 1 noname 0.1230 12 C11 -3.8778 4.4763 0.8860 C.3 1 noname -0.0651 13 H1 1.5931 -1.9690 0.8464 H 1 noname 0.0267 14 H2 1.7696 -1.9075 -0.9237 H 1 noname 0.0267 15 H3 1.7465 0.5038 0.9477 H 1 noname 0.0270 16 H4 1.9231 0.5654 -0.8225 H 1 noname 0.0270 17 H5 3.8121 -0.8930 1.1051 H 1 noname 0.0271 18 H6 3.9886 -0.8314 -0.6650 H 1 noname 0.0271 19 H7 -0.4725 -0.5722 0.6889 H 1 noname 0.0309 20 H8 -0.2959 -0.5107 -1.0812 H 1 noname 0.0309 21 H9 3.6587 -3.3658 1.0039 H 1 noname 0.0343 22 H10 3.8352 -3.3043 -0.7662 H 1 noname 0.0343 23 H11 0.0773 2.0825 -0.0589 H 1 noname 0.0572 24 H12 -2.8771 3.0563 -1.2146 H 1 noname 0.0309 25 H13 -1.5326 3.5706 -0.1677 H 1 noname 0.0309 26 H14 -2.4716 0.7650 -0.3589 H 1 noname 0.0572 27 H15 -4.1603 2.3431 0.7837 H 1 noname 0.0267 28 H16 -2.8157 2.8574 1.8306 H 1 noname 0.0267 29 H17 6.0329 -1.8881 0.3971 H 1 noname 0.1041 30 H18 -4.5727 4.6034 1.7161 H 1 noname 0.0230 31 H19 -4.3962 4.6650 -0.0540 H 1 noname 0.0230 32 H20 -3.0517 5.1793 0.9929 H 1 noname 0.0230 @BOND 1 1 11 2 2 2 3 1 3 2 4 1 4 2 13 1 5 2 14 1 6 3 5 1 7 3 15 1 8 3 16 1 9 4 6 1 10 4 17 1 11 4 18 1 12 5 7 1 13 5 19 1 14 5 20 1 15 6 11 1 16 6 21 1 17 6 22 1 18 7 9 2 19 7 23 1 20 8 9 1 21 8 10 1 22 8 24 1 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 12 30 1 30 12 31 1 31 12 32 1 @SUBSTRUCTURE 1 noname 1