@MOLECULE (2S)-2-(1,1-dimethylpropoxy)pentane 33 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.7759 -0.1368 1.6388 C.3 1 UNL11111111 -0.4296 2 C -2.1261 -1.1447 0.6940 C.3 1 UNL11111111 -0.2837 3 C -1.2919 -0.4620 -0.4186 C.3 1 UNL11111111 0.3224 4 C -0.6663 -1.5346 -1.3249 C.3 1 UNL11111111 -0.5124 5 C -2.1238 0.5192 -1.2488 C.3 1 UNL11111111 -0.5040 6 O -0.2854 0.1904 0.3351 O.3 1 UNL11111111 -0.4493 7 C 0.6455 1.0200 -0.3402 C.3 1 UNL11111111 0.1480 8 H 0.6617 0.8077 -1.4281 H 1 UNL11111111 0.1118 9 C 0.2520 2.4764 -0.0662 C.3 1 UNL11111111 -0.4924 10 C 2.0036 0.6974 0.3105 C.3 1 UNL11111111 -0.3091 11 C 2.5039 -0.6861 -0.1156 C.3 1 UNL11111111 -0.2454 12 C 3.8715 -0.9871 0.4966 C.3 1 UNL11111111 -0.4383 13 H -3.5803 0.4209 1.1498 H 1 UNL11111111 0.1368 14 H -3.2007 -0.6332 2.5174 H 1 UNL11111111 0.1374 15 H -2.0361 0.5938 1.9957 H 1 UNL11111111 0.1600 16 H -1.4546 -1.8097 1.2742 H 1 UNL11111111 0.1489 17 H -2.8911 -1.7933 0.2333 H 1 UNL11111111 0.1372 18 H -1.4359 -2.1196 -1.8362 H 1 UNL11111111 0.1518 19 H -0.0212 -1.0926 -2.0899 H 1 UNL11111111 0.1492 20 H -0.0494 -2.2256 -0.7386 H 1 UNL11111111 0.1568 21 H -2.4639 1.3586 -0.6304 H 1 UNL11111111 0.1596 22 H -1.5525 0.9337 -2.0848 H 1 UNL11111111 0.1474 23 H -3.0108 0.0303 -1.6637 H 1 UNL11111111 0.1515 24 H 0.1098 2.6386 1.0095 H 1 UNL11111111 0.1595 25 H 1.0163 3.1734 -0.4194 H 1 UNL11111111 0.1466 26 H -0.6930 2.7310 -0.5554 H 1 UNL11111111 0.1492 27 H 2.7413 1.4742 0.0436 H 1 UNL11111111 0.1404 28 H 1.8945 0.7339 1.4123 H 1 UNL11111111 0.1549 29 H 1.7690 -1.4530 0.2020 H 1 UNL11111111 0.1457 30 H 2.5592 -0.7517 -1.2176 H 1 UNL11111111 0.1276 31 H 4.6246 -0.2611 0.1730 H 1 UNL11111111 0.1395 32 H 3.8330 -0.9579 1.5913 H 1 UNL11111111 0.1438 33 H 4.2250 -1.9818 0.2058 H 1 UNL11111111 0.1383 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 1 7 7 8 1 8 7 9 1 9 7 10 1 10 10 11 1 11 11 12 1 12 1 13 1 13 1 14 1 14 1 15 1 15 2 16 1 16 2 17 1 17 4 18 1 18 4 19 1 19 4 20 1 20 5 21 1 21 5 22 1 22 5 23 1 23 9 24 1 24 9 25 1 25 9 26 1 26 10 27 1 27 10 28 1 28 11 29 1 29 11 30 1 30 12 31 1 31 12 32 1 32 12 33 1