@MOLECULE 92043538 34 34 1 SMALL USER_CHARGES @ATOM 1 O1 1.0711 3.4516 -1.7639 O.3 1 noname -0.2550 2 O2 2.2461 -0.8429 0.2621 O.3 1 noname -0.2550 3 O3 -1.9053 0.6906 -0.0243 O.2 1 noname -0.2158 4 N1 0.2272 0.0102 0.0911 N.2 1 noname -0.0971 5 N2 -0.3131 2.0145 -0.8622 N.2 1 noname -0.0971 6 C1 2.0270 1.3427 -0.8786 C.3 1 noname 0.1014 7 C2 2.7259 0.8871 -2.2300 C.3 1 noname -0.0233 8 C3 1.7156 0.1298 -3.1451 C.3 1 noname -0.0495 9 C4 3.1298 2.0084 0.0225 C.3 1 noname -0.0348 10 C5 3.4720 2.0022 -3.0526 C.3 1 noname -0.0611 11 C6 0.9033 2.2862 -1.1630 C.2 1 noname 0.0724 12 C7 1.4806 0.1487 -0.1537 C.2 1 noname 0.0724 13 C8 2.3618 -0.4035 -4.4374 C.3 1 noname -0.0558 14 C9 2.6538 2.5113 1.4002 C.3 1 noname -0.0639 15 C10 1.3259 -1.0869 -5.3228 C.3 1 noname -0.0654 16 C11 -0.6794 0.8945 -0.2615 C.2 1 noname 0.1862 17 H1 3.5011 0.1754 -1.9637 H 1 noname 0.0315 18 H2 1.2966 -0.7245 -2.6045 H 1 noname 0.0269 19 H3 0.8886 0.7889 -3.3949 H 1 noname 0.0269 20 H4 3.9537 1.3046 0.1950 H 1 noname 0.0279 21 H5 3.5646 2.8622 -0.4787 H 1 noname 0.0279 22 H6 4.1267 1.5818 -3.8122 H 1 noname 0.0234 23 H7 2.7540 2.6668 -3.5118 H 1 noname 0.0234 24 H8 4.1041 2.6451 -2.4704 H 1 noname 0.0234 25 H9 3.1846 -1.0804 -4.1853 H 1 noname 0.0264 26 H10 2.7414 0.4134 -5.0470 H 1 noname 0.0264 27 H11 3.4858 2.9569 1.9284 H 1 noname 0.0231 28 H12 2.2535 1.6949 2.0048 H 1 noname 0.0231 29 H13 1.8867 3.2556 1.2524 H 1 noname 0.0231 30 H14 1.8218 -1.4033 -6.2386 H 1 noname 0.0230 31 H15 0.8965 -1.9449 -4.8068 H 1 noname 0.0230 32 H16 0.5427 -0.3666 -5.5676 H 1 noname 0.0230 33 H17 2.0201 3.5621 -1.8604 H 1 noname 0.2196 34 H18 1.6912 -1.5241 0.6962 H 1 noname 0.2196 @BOND 1 1 11 1 2 1 33 1 3 2 12 1 4 2 34 1 5 3 16 2 6 4 12 2 7 4 16 1 8 5 11 2 9 5 16 1 10 6 7 1 11 6 9 1 12 6 11 1 13 6 12 1 14 7 8 1 15 7 10 1 16 7 17 1 17 8 13 1 18 8 18 1 19 8 19 1 20 9 14 1 21 9 20 1 22 9 21 1 23 10 22 1 24 10 23 1 25 10 24 1 26 13 15 1 27 13 25 1 28 13 26 1 29 14 27 1 30 14 28 1 31 14 29 1 32 15 30 1 33 15 31 1 34 15 32 1 @SUBSTRUCTURE 1 noname 1