@MOLECULE 3,3-dimethyl-1-[(1S,2S)-2-methylcyclobutyl]butan-1-one 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.9304 0.8897 1.2437 C.3 1 UNL11111111 -0.8731 2 C -2.3534 0.1056 -0.0068 C.3 1 UNL11111111 0.6901 3 C -2.9192 -1.2596 0.4019 C.3 1 UNL11111111 -0.9621 4 C -3.4403 0.8986 -0.7569 C.3 1 UNL11111111 -1.0321 5 C -1.1469 -0.0762 -0.9604 C.3 1 UNL11111111 -0.6921 6 C 0.0846 -0.6127 -0.2741 C.2 1 UNL11111111 0.4642 7 O 0.0519 -1.5460 0.4884 O.2 1 UNL11111111 -0.3328 8 C 1.3843 0.0520 -0.6388 C.3 1 UNL11111111 -0.3581 9 H 1.6125 -0.1291 -1.7028 H 1 UNL11111111 0.2305 10 C 2.5798 -0.2806 0.3112 C.3 1 UNL11111111 0.2541 11 H 2.2743 -0.9195 1.1622 H 1 UNL11111111 0.0886 12 C 3.7983 -0.8536 -0.3809 C.3 1 UNL11111111 -0.9225 13 C 2.6857 1.2258 0.6921 C.3 1 UNL11111111 -0.5467 14 C 1.4808 1.5469 -0.2278 C.3 1 UNL11111111 -0.3264 15 H -1.1804 0.3378 1.8243 H 1 UNL11111111 0.2147 16 H -1.5098 1.8658 0.9875 H 1 UNL11111111 0.2369 17 H -2.7835 1.0629 1.9086 H 1 UNL11111111 0.2542 18 H -3.7690 -1.1535 1.0826 H 1 UNL11111111 0.2546 19 H -3.2559 -1.8352 -0.4650 H 1 UNL11111111 0.2603 20 H -2.1592 -1.8654 0.9176 H 1 UNL11111111 0.2684 21 H -3.0975 1.9034 -1.0208 H 1 UNL11111111 0.2749 22 H -3.7403 0.3917 -1.6792 H 1 UNL11111111 0.2653 23 H -4.3389 1.0118 -0.1404 H 1 UNL11111111 0.2838 24 H -1.4264 -0.7798 -1.7724 H 1 UNL11111111 0.2561 25 H -0.9267 0.8862 -1.4604 H 1 UNL11111111 0.2082 26 H 4.1130 -0.2451 -1.2361 H 1 UNL11111111 0.2667 27 H 4.6499 -0.9152 0.3078 H 1 UNL11111111 0.2541 28 H 3.6025 -1.8682 -0.7508 H 1 UNL11111111 0.2470 29 H 2.5180 1.4334 1.7509 H 1 UNL11111111 0.2047 30 H 3.6214 1.7047 0.3977 H 1 UNL11111111 0.2168 31 H 1.7074 2.2255 -1.0531 H 1 UNL11111111 0.1836 32 H 0.6037 1.9335 0.2989 H 1 UNL11111111 0.1680 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 5 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 8 10 1 10 10 11 1 11 10 12 1 12 10 13 1 13 13 14 1 14 8 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 12 26 1 27 12 27 1 28 12 28 1 29 13 29 1 30 13 30 1 31 14 31 1 32 14 32 1