@MOLECULE 1-tert-butoxy-3-propoxy-2-propanol 35 34 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.0063 -3.0151 0.2641 C.3 1 UNL11111111 -1.0072 2 C -1.7379 -1.5200 0.4008 C.3 1 UNL11111111 -0.0545 3 C -2.8394 -0.7091 -0.2875 C.3 1 UNL11111111 -0.6059 4 O -2.6479 0.6842 -0.1334 O.3 1 UNL11111111 -0.0768 5 C -1.5258 1.2216 -0.8090 C.3 1 UNL11111111 -0.6416 6 C -0.4445 1.5369 0.2349 C.3 1 UNL11111111 0.3263 7 C 0.9655 1.5087 -0.3853 C.3 1 UNL11111111 -0.4092 8 O 1.2288 0.1686 -0.7383 O.3 1 UNL11111111 -0.2701 9 C 2.2105 -0.5396 0.0106 C.3 1 UNL11111111 0.6803 10 C 1.8541 -0.5949 1.4975 C.3 1 UNL11111111 -0.8644 11 C 3.5890 0.0921 -0.2113 C.3 1 UNL11111111 -1.0774 12 C 2.1335 -1.9350 -0.6284 C.3 1 UNL11111111 -0.8808 13 O -0.5889 2.8659 0.7060 O.3 1 UNL11111111 -0.5386 14 H -2.0364 -3.3254 -0.7865 H 1 UNL11111111 0.2943 15 H -2.9616 -3.2971 0.7214 H 1 UNL11111111 0.3002 16 H -1.2226 -3.6032 0.7559 H 1 UNL11111111 0.2715 17 H -1.6752 -1.2326 1.4673 H 1 UNL11111111 0.1945 18 H -0.7517 -1.2654 -0.0426 H 1 UNL11111111 0.2121 19 H -3.8233 -0.8500 0.2001 H 1 UNL11111111 0.2903 20 H -2.9249 -0.9587 -1.3589 H 1 UNL11111111 0.2296 21 H -1.9181 2.1453 -1.2770 H 1 UNL11111111 0.2289 22 H -1.1477 0.5525 -1.5995 H 1 UNL11111111 0.2816 23 H -0.5198 0.8532 1.1083 H 1 UNL11111111 0.0052 24 H 1.7087 1.9435 0.3018 H 1 UNL11111111 0.2271 25 H 1.0072 2.0604 -1.3425 H 1 UNL11111111 0.2008 26 H 1.8589 0.3995 1.9575 H 1 UNL11111111 0.2411 27 H 0.8562 -1.0223 1.6500 H 1 UNL11111111 0.2220 28 H 2.5669 -1.2153 2.0506 H 1 UNL11111111 0.2620 29 H 3.7591 0.2789 -1.2786 H 1 UNL11111111 0.2667 30 H 3.6916 1.0493 0.3092 H 1 UNL11111111 0.2729 31 H 4.3889 -0.5635 0.1452 H 1 UNL11111111 0.3136 32 H 2.3243 -1.8801 -1.7072 H 1 UNL11111111 0.2516 33 H 1.1363 -2.3730 -0.5024 H 1 UNL11111111 0.2370 34 H 2.8645 -2.6149 -0.1842 H 1 UNL11111111 0.2663 35 H -1.5070 3.0133 1.0114 H 1 UNL11111111 0.3507 @BOND 1 32 12 1 2 22 5 1 3 20 3 1 4 25 7 1 5 29 11 1 6 21 5 1 7 5 4 1 8 5 6 1 9 14 1 1 10 8 7 1 11 8 9 1 12 12 33 1 13 12 34 1 14 12 9 1 15 7 6 1 16 7 24 1 17 3 4 1 18 3 19 1 19 3 2 1 20 11 9 1 21 11 31 1 22 11 30 1 23 18 2 1 24 9 10 1 25 6 13 1 26 6 23 1 27 1 2 1 28 1 15 1 29 1 16 1 30 2 17 1 31 13 35 1 32 10 27 1 33 10 26 1 34 10 28 1