@MOLECULE hexen-1-ylcyclohexane 34 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C 5.7357 0.8994 0.1645 C.3 1 UNL111111111 -0.4397 2 C 4.7233 -0.1480 -0.2988 C.3 1 UNL111111111 -0.2528 3 C 3.3327 0.1462 0.2778 C.3 1 UNL111111111 -0.2628 4 C 2.3199 -0.9180 -0.1732 C.3 1 UNL111111111 -0.2802 5 C 0.9674 -0.6057 0.3804 C.2 1 UNL111111111 -0.1599 6 C -0.1115 -0.4306 -0.3867 C.2 1 UNL111111111 -0.1887 7 C -1.4623 -0.1182 0.1822 C.3 1 UNL111111111 -0.1044 8 C -1.9653 1.2255 -0.3812 C.3 1 UNL111111111 -0.2709 9 C -3.3556 1.5458 0.1818 C.3 1 UNL111111111 -0.2636 10 C -4.3467 0.4226 -0.1536 C.3 1 UNL111111111 -0.2630 11 C -3.8427 -0.9237 0.3844 C.3 1 UNL111111111 -0.2636 12 C -2.4520 -1.2441 -0.1778 C.3 1 UNL111111111 -0.2713 13 H 6.7321 0.6970 -0.2429 H 1 UNL111111111 0.1399 14 H 5.4463 1.9058 -0.1580 H 1 UNL111111111 0.1429 15 H 5.8233 0.9159 1.2565 H 1 UNL111111111 0.1423 16 H 4.6787 -0.1675 -1.4041 H 1 UNL111111111 0.1339 17 H 5.0564 -1.1571 0.0088 H 1 UNL111111111 0.1333 18 H 3.3794 0.1836 1.3818 H 1 UNL111111111 0.1369 19 H 2.9914 1.1480 -0.0445 H 1 UNL111111111 0.1412 20 H 2.3041 -0.9778 -1.2792 H 1 UNL111111111 0.1429 21 H 2.6430 -1.9214 0.1734 H 1 UNL111111111 0.1455 22 H 0.9246 -0.5293 1.4654 H 1 UNL111111111 0.1431 23 H -0.0734 -0.5039 -1.4708 H 1 UNL111111111 0.1452 24 H -1.4099 -0.0369 1.2957 H 1 UNL111111111 0.1385 25 H -1.2520 2.0299 -0.1267 H 1 UNL111111111 0.1346 26 H -2.0027 1.1852 -1.4848 H 1 UNL111111111 0.1377 27 H -3.2972 1.6821 1.2777 H 1 UNL111111111 0.1349 28 H -3.7180 2.5062 -0.2271 H 1 UNL111111111 0.1291 29 H -5.3395 0.6536 0.2723 H 1 UNL111111111 0.1276 30 H -4.4884 0.3607 -1.2484 H 1 UNL111111111 0.1353 31 H -3.8066 -0.8980 1.4894 H 1 UNL111111111 0.1349 32 H -4.5520 -1.7289 0.1203 H 1 UNL111111111 0.1291 33 H -2.5048 -1.3680 -1.2744 H 1 UNL111111111 0.1378 34 H -2.0879 -2.2068 0.2235 H 1 UNL111111111 0.1341 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 2 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 7 12 1 13 1 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 6 23 1 24 7 24 1 25 8 25 1 26 8 26 1 27 9 27 1 28 9 28 1 29 10 29 1 30 10 30 1 31 11 31 1 32 11 32 1 33 12 33 1 34 12 34 1