@MOLECULE 1-(2,2-dimethylcyclopropyl)-4,4-dimethyl-1-pentanone 35 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.5044 -0.1776 -1.3734 C.3 1 UNL11111111 -0.4657 2 C -3.0513 0.2232 0.0392 C.3 1 UNL11111111 0.1316 3 C -2.9745 1.7544 0.1418 C.3 1 UNL11111111 -0.4659 4 C -4.0853 -0.2935 1.0581 C.3 1 UNL11111111 -0.4707 5 C -1.6884 -0.4198 0.3787 C.3 1 UNL11111111 -0.2771 6 C -0.5482 0.0343 -0.5348 C.3 1 UNL11111111 -0.3816 7 C 0.7157 -0.7358 -0.2450 C.2 1 UNL11111111 0.4954 8 O 0.7192 -1.7471 0.4131 O.2 1 UNL11111111 -0.4668 9 C 1.9599 -0.1606 -0.8262 C.3 1 UNL11111111 -0.3420 10 H 1.7933 0.3719 -1.7673 H 1 UNL11111111 0.1703 11 C 3.2716 -0.8973 -0.6436 C.3 1 UNL11111111 -0.3155 12 C 3.0392 0.3830 0.1216 C.3 1 UNL11111111 0.0971 13 C 3.7605 1.6344 -0.3122 C.3 1 UNL11111111 -0.4515 14 C 2.8192 0.3119 1.6098 C.3 1 UNL11111111 -0.4576 15 H -2.8563 0.2501 -2.1442 H 1 UNL11111111 0.1411 16 H -3.4978 -1.2656 -1.4989 H 1 UNL11111111 0.1475 17 H -4.5222 0.1712 -1.5761 H 1 UNL11111111 0.1421 18 H -3.9592 2.2097 -0.0069 H 1 UNL11111111 0.1417 19 H -2.6113 2.0695 1.1254 H 1 UNL11111111 0.1445 20 H -2.3050 2.1778 -0.6128 H 1 UNL11111111 0.1417 21 H -4.1688 -1.3847 1.0233 H 1 UNL11111111 0.1470 22 H -3.8126 -0.0147 2.0809 H 1 UNL11111111 0.1447 23 H -5.0795 0.1184 0.8597 H 1 UNL11111111 0.1431 24 H -1.4260 -0.1997 1.4317 H 1 UNL11111111 0.1449 25 H -1.7791 -1.5250 0.3307 H 1 UNL11111111 0.1592 26 H -0.8233 -0.1113 -1.5998 H 1 UNL11111111 0.1694 27 H -0.3667 1.1209 -0.4151 H 1 UNL11111111 0.1637 28 H 3.2636 -1.8497 -0.1117 H 1 UNL11111111 0.1775 29 H 3.9857 -0.9296 -1.4593 H 1 UNL11111111 0.1559 30 H 3.9415 1.6638 -1.3933 H 1 UNL11111111 0.1490 31 H 3.1869 2.5333 -0.0516 H 1 UNL11111111 0.1529 32 H 4.7391 1.7144 0.1803 H 1 UNL11111111 0.1553 33 H 3.7722 0.3555 2.1530 H 1 UNL11111111 0.1545 34 H 2.1937 1.1395 1.9665 H 1 UNL11111111 0.1518 35 H 2.3239 -0.6248 1.9114 H 1 UNL11111111 0.1724 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 1 7 7 8 2 8 7 9 1 9 9 10 1 10 9 11 1 11 11 12 1 12 9 12 1 13 12 13 1 14 12 14 1 15 1 15 1 16 1 16 1 17 1 17 1 18 3 18 1 19 3 19 1 20 3 20 1 21 4 21 1 22 4 22 1 23 4 23 1 24 5 24 1 25 5 25 1 26 6 26 1 27 6 27 1 28 11 28 1 29 11 29 1 30 13 30 1 31 13 31 1 32 13 32 1 33 14 33 1 34 14 34 1 35 14 35 1