@MOLECULE 1-cyclopentyl-3,3-dimethyl-pentan-1-one 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.3782 -1.1965 0.4327 C.3 1 UNL11111111 -0.2957 2 C -3.9019 -1.0839 0.2383 C.3 1 UNL11111111 -0.4613 3 C -4.1760 0.3183 -0.3439 C.3 1 UNL11111111 -0.2810 4 C -2.8093 1.0050 -0.5182 C.3 1 UNL11111111 -0.4129 5 C -1.7726 -0.1311 -0.5025 C.3 1 UNL11111111 0.0436 6 C -0.4270 0.3261 0.0308 C.2 1 UNL11111111 0.3137 7 O -0.3489 1.2081 0.8466 O.2 1 UNL11111111 -0.2942 8 C 0.7578 -0.4153 -0.5319 C.3 1 UNL11111111 -0.9653 9 C 2.1452 0.0168 0.0117 C.3 1 UNL11111111 0.9280 10 C 2.3900 1.4968 -0.3015 C.3 1 UNL11111111 -0.9164 11 C 2.2052 -0.2239 1.5242 C.3 1 UNL11111111 -0.9932 12 C 3.1952 -0.8647 -0.7184 C.3 1 UNL11111111 -0.4004 13 C 4.6395 -0.5644 -0.3200 C.3 1 UNL11111111 -0.7010 14 H -2.1094 -0.9888 1.4851 H 1 UNL11111111 0.1868 15 H -2.0068 -2.2053 0.2033 H 1 UNL11111111 0.1514 16 H -4.2683 -1.8667 -0.4458 H 1 UNL11111111 0.1896 17 H -4.4346 -1.2332 1.1904 H 1 UNL11111111 0.2087 18 H -4.7020 0.2425 -1.3093 H 1 UNL11111111 0.1442 19 H -4.8309 0.9053 0.3192 H 1 UNL11111111 0.1631 20 H -2.7581 1.5957 -1.4439 H 1 UNL11111111 0.1331 21 H -2.6195 1.7131 0.3124 H 1 UNL11111111 0.1864 22 H -1.6650 -0.5482 -1.5282 H 1 UNL11111111 0.1404 23 H 0.6157 -1.4994 -0.3414 H 1 UNL11111111 0.2709 24 H 0.7544 -0.2993 -1.6355 H 1 UNL11111111 0.2491 25 H 1.6249 2.1326 0.1656 H 1 UNL11111111 0.2422 26 H 3.3565 1.8328 0.0877 H 1 UNL11111111 0.2296 27 H 2.3759 1.6928 -1.3767 H 1 UNL11111111 0.2191 28 H 2.0472 -1.2760 1.7750 H 1 UNL11111111 0.2640 29 H 3.1721 0.0777 1.9397 H 1 UNL11111111 0.2525 30 H 1.4399 0.3661 2.0482 H 1 UNL11111111 0.2731 31 H 2.9771 -1.9305 -0.5178 H 1 UNL11111111 0.1655 32 H 3.0864 -0.7306 -1.8115 H 1 UNL11111111 0.1383 33 H 5.3362 -1.2321 -0.8390 H 1 UNL11111111 0.2196 34 H 4.9226 0.4640 -0.5709 H 1 UNL11111111 0.1903 35 H 4.7989 -0.6983 0.7557 H 1 UNL11111111 0.2181 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 1 5 1 6 5 6 1 7 6 7 2 8 6 8 1 9 8 9 1 10 9 10 1 11 9 11 1 12 9 12 1 13 12 13 1 14 1 14 1 15 1 15 1 16 2 16 1 17 2 17 1 18 3 18 1 19 3 19 1 20 4 20 1 21 4 21 1 22 5 22 1 23 8 23 1 24 8 24 1 25 10 25 1 26 10 26 1 27 10 27 1 28 11 28 1 29 11 29 1 30 11 30 1 31 12 31 1 32 12 32 1 33 13 33 1 34 13 34 1 35 13 35 1