@MOLECULE 3,3-dimethylpent-1-en-1-one 20 19 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.7633 -0.7959 -0.0383 C.3 1 UNL11111111 -0.4356 2 C 1.4128 -0.6436 -0.7355 C.3 1 UNL11111111 -0.2734 3 C 0.4158 0.2721 0.0192 C.3 1 UNL11111111 0.1875 4 C 0.1568 -0.2610 1.4385 C.3 1 UNL11111111 -0.4788 5 C 0.9526 1.7113 0.1053 C.3 1 UNL11111111 -0.4604 6 C -0.8601 0.2958 -0.7823 C.2 1 UNL11111111 -0.5319 7 C -2.0153 -0.0984 -0.3040 C.1 1 UNL11111111 0.4934 8 O -3.0453 -0.4446 0.1092 O.2 1 UNL11111111 -0.2912 9 H 3.2509 0.1727 0.1167 H 1 UNL11111111 0.1426 10 H 2.6631 -1.2787 0.9398 H 1 UNL11111111 0.1427 11 H 3.4433 -1.4123 -0.6374 H 1 UNL11111111 0.1388 12 H 1.5681 -0.2429 -1.7559 H 1 UNL11111111 0.1369 13 H 0.9513 -1.6404 -0.8724 H 1 UNL11111111 0.1397 14 H 1.0657 -0.2163 2.0489 H 1 UNL11111111 0.1532 15 H -0.6037 0.3316 1.9578 H 1 UNL11111111 0.1464 16 H -0.1721 -1.3050 1.4229 H 1 UNL11111111 0.1476 17 H 1.2148 2.0986 -0.8844 H 1 UNL11111111 0.1451 18 H 0.2038 2.3852 0.5352 H 1 UNL11111111 0.1477 19 H 1.8486 1.7681 0.7311 H 1 UNL11111111 0.1447 20 H -0.7668 0.6728 -1.7958 H 1 UNL11111111 0.2049 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 7 8 2 8 1 9 1 9 1 10 1 10 1 11 1 11 2 12 1 12 2 13 1 13 4 14 1 14 4 15 1 15 4 16 1 16 5 17 1 17 5 18 1 18 5 19 1 19 6 20 1