@MOLECULE 1-(tert-butyldioxy)-3-propoxy-2-propanol 36 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.3051 1.7872 -0.0670 C.3 1 UNL11111111 -0.9534 2 C 3.1932 0.5493 0.0414 C.3 1 UNL11111111 0.7740 3 C 3.9626 0.5198 1.3605 C.3 1 UNL11111111 -1.2195 4 C 4.1277 0.4107 -1.1679 C.3 1 UNL11111111 -0.8105 5 O 2.4069 -0.6392 -0.0792 O.3 1 UNL11111111 -0.2557 6 O 1.4964 -0.6456 1.0463 O.3 1 UNL11111111 -0.0166 7 C 0.3430 -1.3191 0.5889 C.3 1 UNL11111111 -0.6659 8 C -0.4557 -0.4248 -0.3675 C.3 1 UNL11111111 0.4758 9 O 0.2038 -0.3324 -1.6163 O.3 1 UNL11111111 -0.5758 10 C -1.8326 -1.0308 -0.6898 C.3 1 UNL11111111 -0.9405 11 O -2.6468 -0.9750 0.4615 O.3 1 UNL11111111 0.0290 12 C -3.3231 0.2516 0.6712 C.3 1 UNL11111111 -0.5824 13 C -4.5694 0.3321 -0.2160 C.3 1 UNL11111111 0.0132 14 C -5.3833 1.5774 0.1225 C.3 1 UNL11111111 -0.7552 15 H 1.7021 1.7729 -0.9843 H 1 UNL11111111 0.2025 16 H 1.6052 1.8460 0.7757 H 1 UNL11111111 0.2731 17 H 2.8990 2.7064 -0.0717 H 1 UNL11111111 0.2517 18 H 3.2842 0.6015 2.2186 H 1 UNL11111111 0.3548 19 H 4.5077 -0.4253 1.4754 H 1 UNL11111111 0.3165 20 H 4.6849 1.3388 1.4259 H 1 UNL11111111 0.3210 21 H 3.5705 0.4143 -2.1118 H 1 UNL11111111 0.2122 22 H 4.6968 -0.5264 -1.1251 H 1 UNL11111111 0.2553 23 H 4.8446 1.2376 -1.1997 H 1 UNL11111111 0.2216 24 H 0.6139 -2.2819 0.1202 H 1 UNL11111111 0.2545 25 H -0.2100 -1.5195 1.5287 H 1 UNL11111111 0.3244 26 H -0.5447 0.6092 0.0331 H 1 UNL11111111 0.0416 27 H 1.1770 -0.3609 -1.4619 H 1 UNL11111111 0.3968 28 H -2.2896 -0.5300 -1.5597 H 1 UNL11111111 0.3550 29 H -1.7716 -2.1146 -0.9006 H 1 UNL11111111 0.3511 30 H -3.5873 0.1816 1.7440 H 1 UNL11111111 0.2657 31 H -2.6496 1.1103 0.5193 H 1 UNL11111111 0.2445 32 H -5.1792 -0.5822 -0.0803 H 1 UNL11111111 0.1228 33 H -4.2809 0.3388 -1.2838 H 1 UNL11111111 0.0769 34 H -4.8034 2.4943 -0.0337 H 1 UNL11111111 0.2117 35 H -5.7185 1.5700 1.1660 H 1 UNL11111111 0.2340 36 H -6.2793 1.6476 -0.5055 H 1 UNL11111111 0.1956 @BOND 1 21 4 1 2 9 27 1 3 9 8 1 4 28 10 1 5 33 13 1 6 23 4 1 7 4 22 1 8 4 2 1 9 15 1 1 10 29 10 1 11 10 8 1 12 10 11 1 13 36 14 1 14 8 26 1 15 8 7 1 16 13 32 1 17 13 14 1 18 13 12 1 19 5 2 1 20 5 6 1 21 17 1 1 22 1 2 1 23 1 16 1 24 34 14 1 25 2 3 1 26 24 7 1 27 14 35 1 28 11 12 1 29 31 12 1 30 7 6 1 31 7 25 1 32 12 30 1 33 3 20 1 34 3 19 1 35 3 18 1