@MOLECULE 1-sec-butoxypentane 30 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.2022 1.8973 -0.2427 C.3 1 UNL11111111 -0.4339 2 C -3.3549 0.4914 0.3332 C.3 1 UNL11111111 -0.2818 3 C -2.3253 -0.4672 -0.2907 C.3 1 UNL11111111 0.1378 4 H -2.2956 -0.3575 -1.3954 H 1 UNL11111111 0.1110 5 C -2.5950 -1.9194 0.1136 C.3 1 UNL11111111 -0.4982 6 O -1.0919 -0.0493 0.2786 O.3 1 UNL11111111 -0.4206 7 C 0.0529 -0.3851 -0.4921 C.3 1 UNL11111111 -0.0390 8 C 1.2241 0.0989 0.3689 C.3 1 UNL11111111 -0.2957 9 C 2.5509 -0.1290 -0.3586 C.3 1 UNL11111111 -0.2690 10 C 3.7246 0.3403 0.5117 C.3 1 UNL11111111 -0.2459 11 C 5.0573 0.1215 -0.2034 C.3 1 UNL11111111 -0.4410 12 H -3.4336 1.9266 -1.3119 H 1 UNL11111111 0.1369 13 H -3.8639 2.6093 0.2616 H 1 UNL11111111 0.1396 14 H -2.1714 2.2570 -0.1164 H 1 UNL11111111 0.1573 15 H -3.2087 0.5158 1.4317 H 1 UNL11111111 0.1529 16 H -4.3766 0.1090 0.1625 H 1 UNL11111111 0.1377 17 H -1.8502 -2.5976 -0.3149 H 1 UNL11111111 0.1481 18 H -2.5424 -2.0342 1.2036 H 1 UNL11111111 0.1606 19 H -3.5829 -2.2519 -0.2160 H 1 UNL11111111 0.1477 20 H 0.0896 -1.4739 -0.6628 H 1 UNL11111111 0.1129 21 H 0.0062 0.1401 -1.4617 H 1 UNL11111111 0.1120 22 H 1.0863 1.1701 0.6132 H 1 UNL11111111 0.1523 23 H 1.2107 -0.4273 1.3427 H 1 UNL11111111 0.1514 24 H 2.6716 -1.1995 -0.6091 H 1 UNL11111111 0.1360 25 H 2.5573 0.4118 -1.3236 H 1 UNL11111111 0.1367 26 H 3.6027 1.4106 0.7654 H 1 UNL11111111 0.1355 27 H 3.7196 -0.2015 1.4767 H 1 UNL11111111 0.1353 28 H 5.1065 0.6857 -1.1412 H 1 UNL11111111 0.1417 29 H 5.8991 0.4445 0.4189 H 1 UNL11111111 0.1399 30 H 5.2143 -0.9353 -0.4457 H 1 UNL11111111 0.1417 @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 8 9 1 9 9 10 1 10 10 11 1 11 1 12 1 12 1 13 1 13 1 14 1 14 2 15 1 15 2 16 1 16 5 17 1 17 5 18 1 18 5 19 1 19 7 20 1 20 7 21 1 21 8 22 1 22 8 23 1 23 9 24 1 24 9 25 1 25 10 26 1 26 10 27 1 27 11 28 1 28 11 29 1 29 11 30 1