@MOLECULE 60164941 33 33 1 SMALL USER_CHARGES @ATOM 1 O1 3.0973 1.9610 0.4401 O.3 1 noname -0.2861 2 N1 3.1458 -2.1667 -3.2017 N.3 1 noname -0.3301 3 C1 0.3216 -1.8384 -0.6995 C.3 1 noname 0.0169 4 C2 1.6131 -2.3847 -1.3115 C.3 1 noname -0.0250 5 C3 0.0230 -2.5784 0.6059 C.3 1 noname -0.0489 6 C4 0.4775 -0.4128 -0.4262 C.2 1 noname -0.0469 7 C5 1.9117 -1.6448 -2.6170 C.3 1 noname -0.0045 8 C6 1.4496 -3.8787 -1.5979 C.3 1 noname -0.0607 9 C7 -1.2685 -2.0321 1.2179 C.3 1 noname -0.0648 10 C8 1.7312 0.1029 -0.1187 C.2 1 noname -0.0345 11 C9 -0.6277 0.4289 -0.4734 C.2 1 noname -0.0749 12 C10 1.8797 1.4602 0.1415 C.2 1 noname -0.0034 13 C11 -0.4792 1.7862 -0.2132 C.2 1 noname -0.0537 14 C12 0.7745 2.3019 0.0943 C.2 1 noname -0.0396 15 H1 -0.5023 -1.9865 -1.3977 H 1 noname 0.0355 16 H2 2.4369 -2.2366 -0.6133 H 1 noname 0.0319 17 H3 -0.0934 -3.6427 0.4019 H 1 noname 0.0270 18 H4 0.8469 -2.4303 1.3041 H 1 noname 0.0270 19 H5 1.0878 -1.7929 -3.3151 H 1 noname 0.0428 20 H6 2.0281 -0.5804 -2.4129 H 1 noname 0.0428 21 H7 2.3698 -4.2679 -2.0339 H 1 noname 0.0234 22 H8 0.6258 -4.0268 -2.2961 H 1 noname 0.0234 23 H9 1.2370 -4.4058 -0.6679 H 1 noname 0.0234 24 H10 -1.4812 -2.5593 2.1479 H 1 noname 0.0231 25 H11 -2.0924 -2.1802 0.5197 H 1 noname 0.0231 26 H12 -1.1521 -0.9678 1.4220 H 1 noname 0.0231 27 H13 2.5422 -0.5148 -0.0841 H 1 noname 0.0653 28 H14 -1.5476 0.0505 -0.6990 H 1 noname 0.0625 29 H15 3.3452 -1.6725 -4.0737 H 1 noname 0.1184 30 H16 3.0366 -3.1647 -3.3931 H 1 noname 0.1184 31 H17 -1.2902 2.4039 -0.2478 H 1 noname 0.0623 32 H18 0.8835 3.2979 0.2853 H 1 noname 0.0650 33 H19 3.7591 1.2382 0.4306 H 1 noname 0.2181 @BOND 1 1 12 1 2 1 33 1 3 2 7 1 4 2 29 1 5 2 30 1 6 3 4 1 7 3 5 1 8 3 6 1 9 3 15 1 10 4 7 1 11 4 8 1 12 4 16 1 13 5 9 1 14 5 17 1 15 5 18 1 16 6 10 2 17 6 11 1 18 7 19 1 19 7 20 1 20 8 21 1 21 8 22 1 22 8 23 1 23 9 24 1 24 9 25 1 25 9 26 1 26 10 12 1 27 10 27 1 28 11 13 2 29 11 28 1 30 12 14 2 31 13 14 1 32 13 31 1 33 14 32 1 @SUBSTRUCTURE 1 noname 1