@MOLECULE 71587133 32 33 1 SMALL USER_CHARGES @ATOM 1 O1 -1.6248 -0.7286 -0.2730 O.3 1 noname -0.3500 2 O2 0.5195 -1.7836 -2.9117 O.3 1 noname -0.1981 3 O3 -1.6756 -2.1106 -2.5284 O.2 1 noname -0.2423 4 C1 -0.2920 -1.0307 0.1124 C.3 1 noname 0.1274 5 C2 -0.6399 -0.4322 -1.2520 C.3 1 noname 0.1770 6 C3 0.2107 0.0211 0.9914 C.2 1 noname -0.0486 7 C4 -0.3373 -2.5046 0.5206 C.3 1 noname -0.0283 8 C5 -0.6263 -1.4852 -2.2632 C.2 1 noname 0.1568 9 C6 0.8632 1.1240 0.4529 C.2 1 noname -0.0493 10 C7 0.0368 -0.0804 2.3667 C.2 1 noname -0.0493 11 C8 1.3418 2.1253 1.2897 C.2 1 noname -0.0627 12 C9 0.5154 0.9210 3.2036 C.2 1 noname -0.0627 13 C10 1.1679 2.0238 2.6650 C.2 1 noname -0.0583 14 C11 0.7490 -3.1058 -3.3759 C.3 1 noname 0.0537 15 C12 1.6706 3.0757 3.5440 C.3 1 noname -0.0023 16 C13 2.0120 -3.6652 -2.7181 C.3 1 noname -0.0409 17 H1 -0.4118 0.6208 -1.4171 H 1 noname 0.0748 18 H2 0.6559 -2.8253 0.8350 H 1 noname 0.0264 19 H3 -1.0382 -2.6317 1.3457 H 1 noname 0.0264 20 H4 -0.6619 -3.1068 -0.3280 H 1 noname 0.0264 21 H5 0.9908 1.1984 -0.5564 H 1 noname 0.0626 22 H6 -0.4420 -0.8897 2.7619 H 1 noname 0.0626 23 H7 1.8206 2.9347 0.8945 H 1 noname 0.0625 24 H8 0.3878 0.8465 4.2128 H 1 noname 0.0625 25 H9 -0.1035 -3.7343 -3.1186 H 1 noname 0.0570 26 H10 0.8779 -3.0937 -4.4582 H 1 noname 0.0570 27 H11 0.8416 3.5079 4.1044 H 1 noname 0.0279 28 H12 2.1484 3.8515 2.9458 H 1 noname 0.0279 29 H13 2.3970 2.6529 4.2380 H 1 noname 0.0279 30 H14 2.1882 -4.6802 -3.0744 H 1 noname 0.0254 31 H15 1.8831 -3.6774 -1.6358 H 1 noname 0.0254 32 H16 2.8646 -3.0367 -2.9754 H 1 noname 0.0254 @BOND 1 1 4 1 2 1 5 1 3 2 8 1 4 2 14 1 5 3 8 2 6 4 5 1 7 4 6 1 8 4 7 1 9 5 8 1 10 5 17 1 11 6 9 2 12 6 10 1 13 7 18 1 14 7 19 1 15 7 20 1 16 9 11 1 17 9 21 1 18 10 12 2 19 10 22 1 20 11 13 2 21 11 23 1 22 12 13 1 23 12 24 1 24 13 15 1 25 14 16 1 26 14 25 1 27 14 26 1 28 15 27 1 29 15 28 1 30 15 29 1 31 16 30 1 32 16 31 1 33 16 32 1 @SUBSTRUCTURE 1 noname 1