@MOLECULE (1S,2R)-1-butoxy-2-methyl-cyclobutane 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.5556 0.4052 0.5276 C.3 1 UNL1111111111 -0.4369 2 C 3.4397 -0.3897 -0.1505 C.3 1 UNL1111111111 -0.2463 3 C 2.0806 0.2760 0.0846 C.3 1 UNL1111111111 -0.2924 4 C 0.9639 -0.5478 -0.5628 C.3 1 UNL1111111111 -0.0476 5 O -0.2150 0.2086 -0.3019 O.3 1 UNL1111111111 -0.3977 6 C -1.3946 -0.4698 -0.6367 C.3 1 UNL1111111111 0.0907 7 H -1.3401 -0.8905 -1.6472 H 1 UNL1111111111 0.1135 8 C -2.6085 0.4800 -0.3638 C.3 1 UNL1111111111 -0.1079 9 H -3.2838 0.5504 -1.2324 H 1 UNL1111111111 0.1324 10 C -2.2380 1.8551 0.1471 C.3 1 UNL1111111111 -0.4373 11 C -3.1153 -0.5138 0.7253 C.3 1 UNL1111111111 -0.2862 12 C -1.8945 -1.4354 0.4760 C.3 1 UNL1111111111 -0.3373 13 H 4.3963 0.4757 1.6095 H 1 UNL1111111111 0.1441 14 H 5.5324 -0.0640 0.3680 H 1 UNL1111111111 0.1394 15 H 4.6133 1.4273 0.1367 H 1 UNL1111111111 0.1441 16 H 3.6409 -0.4707 -1.2358 H 1 UNL1111111111 0.1337 17 H 3.4285 -1.4267 0.2361 H 1 UNL1111111111 0.1335 18 H 1.8800 0.3896 1.1672 H 1 UNL1111111111 0.1512 19 H 2.0706 1.3046 -0.3243 H 1 UNL1111111111 0.1526 20 H 1.0927 -0.6400 -1.6548 H 1 UNL1111111111 0.1156 21 H 0.8787 -1.5512 -0.1135 H 1 UNL1111111111 0.1161 22 H -1.6860 2.4218 -0.6143 H 1 UNL1111111111 0.1523 23 H -3.1247 2.4322 0.4293 H 1 UNL1111111111 0.1399 24 H -1.5796 1.7948 1.0252 H 1 UNL1111111111 0.1589 25 H -3.1620 -0.0914 1.7318 H 1 UNL1111111111 0.1448 26 H -4.0815 -0.9694 0.5026 H 1 UNL1111111111 0.1352 27 H -2.1375 -2.4425 0.1389 H 1 UNL1111111111 0.1379 28 H -1.2107 -1.5087 1.3262 H 1 UNL1111111111 0.1537 @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 6 8 1 8 8 9 1 9 8 10 1 10 8 11 1 11 11 12 1 12 6 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 10 22 1 23 10 23 1 24 10 24 1 25 11 25 1 26 11 26 1 27 12 27 1 28 12 28 1