@MOLECULE 2,2-dimethyl-1-pentoxy-butane 36 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 6.0408 0.0138 0.0005 C.3 1 UNL11111111 -0.4406 2 C 4.6537 0.6559 -0.0038 C.3 1 UNL11111111 -0.2464 3 C 3.5537 -0.4147 -0.0040 C.3 1 UNL11111111 -0.2700 4 C 2.1696 0.2384 0.0031 C.3 1 UNL11111111 -0.2949 5 C 1.0737 -0.8321 0.0013 C.3 1 UNL11111111 -0.0451 6 O -0.1333 -0.0799 0.0106 O.3 1 UNL11111111 -0.3991 7 C -1.2912 -0.9023 -0.0065 C.3 1 UNL11111111 -0.0786 8 C -2.4881 0.0838 -0.0013 C.3 1 UNL11111111 0.0927 9 C -2.4066 0.9540 1.2578 C.3 1 UNL11111111 -0.4555 10 C -2.4090 0.9628 -1.2544 C.3 1 UNL11111111 -0.4562 11 C -3.7743 -0.7757 -0.0044 C.3 1 UNL11111111 -0.2816 12 C -5.0593 0.0511 0.0004 C.3 1 UNL11111111 -0.4290 13 H 6.1931 -0.6047 0.8919 H 1 UNL11111111 0.1418 14 H 6.1881 -0.6276 -0.8754 H 1 UNL11111111 0.1418 15 H 6.8305 0.7730 -0.0113 H 1 UNL11111111 0.1400 16 H 4.5393 1.3141 0.8785 H 1 UNL11111111 0.1355 17 H 4.5432 1.3123 -0.8879 H 1 UNL11111111 0.1354 18 H 3.6640 -1.0691 -0.8890 H 1 UNL11111111 0.1363 19 H 3.6709 -1.0736 0.8769 H 1 UNL11111111 0.1364 20 H 2.0467 0.8937 0.8868 H 1 UNL11111111 0.1515 21 H 2.0418 0.9023 -0.8734 H 1 UNL11111111 0.1514 22 H 1.1127 -1.4620 -0.9037 H 1 UNL11111111 0.1132 23 H 1.1186 -1.4712 0.8995 H 1 UNL11111111 0.1133 24 H -1.2861 -1.5249 -0.9166 H 1 UNL11111111 0.1138 25 H -1.2957 -1.5485 0.8868 H 1 UNL11111111 0.1138 26 H -1.4377 1.4699 1.3084 H 1 UNL11111111 0.1609 27 H -3.1874 1.7204 1.2694 H 1 UNL11111111 0.1426 28 H -2.5063 0.3569 2.1691 H 1 UNL11111111 0.1402 29 H -2.5387 0.3765 -2.1687 H 1 UNL11111111 0.1399 30 H -3.1721 1.7469 -1.2451 H 1 UNL11111111 0.1430 31 H -1.4297 1.4576 -1.3176 H 1 UNL11111111 0.1608 32 H -3.7698 -1.4370 -0.8924 H 1 UNL11111111 0.1338 33 H -3.7682 -1.4461 0.8763 H 1 UNL11111111 0.1338 34 H -5.1147 0.7052 0.8779 H 1 UNL11111111 0.1445 35 H -5.1326 0.6844 -0.8906 H 1 UNL11111111 0.1441 36 H -5.9429 -0.5965 0.0172 H 1 UNL11111111 0.1367 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 8 10 1 10 8 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 3 18 1 18 3 19 1 19 4 20 1 20 4 21 1 21 5 22 1 22 5 23 1 23 7 24 1 24 7 25 1 25 9 26 1 26 9 27 1 27 9 28 1 28 10 29 1 29 10 30 1 30 10 31 1 31 11 32 1 32 11 33 1 33 12 34 1 34 12 35 1 35 12 36 1