@MOLECULE 1-(2,2-dimethylpropoxy)-3-methyl-butane 33 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.3145 -0.0273 -0.3006 C.3 1 UNL11111111 -0.0563 2 C -4.2917 -1.1390 0.1043 C.3 1 UNL11111111 -0.4543 3 C -3.7441 1.2998 0.3362 C.3 1 UNL11111111 -0.4548 4 C -1.8916 -0.4138 0.1334 C.3 1 UNL11111111 -0.3093 5 C -0.8424 0.4912 -0.5191 C.3 1 UNL11111111 -0.0438 6 O 0.3940 -0.0520 -0.0727 O.3 1 UNL11111111 -0.4030 7 C 1.5150 0.7031 -0.5098 C.3 1 UNL11111111 -0.0728 8 C 2.7453 -0.0416 0.0598 C.3 1 UNL11111111 0.1116 9 C 2.7834 -1.4651 -0.5092 C.3 1 UNL11111111 -0.4588 10 C 4.0072 0.7271 -0.3612 C.3 1 UNL11111111 -0.4716 11 C 2.6468 -0.0899 1.5893 C.3 1 UNL11111111 -0.4575 12 H -3.3390 0.0812 -1.4119 H 1 UNL11111111 0.1279 13 H -5.3166 -0.8938 -0.1931 H 1 UNL11111111 0.1421 14 H -4.0297 -2.0909 -0.3696 H 1 UNL11111111 0.1431 15 H -4.2922 -1.2978 1.1882 H 1 UNL11111111 0.1463 16 H -4.7599 1.5744 0.0327 H 1 UNL11111111 0.1420 17 H -3.7322 1.2397 1.4300 H 1 UNL11111111 0.1468 18 H -3.0810 2.1206 0.0451 H 1 UNL11111111 0.1404 19 H -1.7920 -0.3692 1.2341 H 1 UNL11111111 0.1529 20 H -1.6771 -1.4668 -0.1354 H 1 UNL11111111 0.1527 21 H -0.8847 0.4474 -1.6208 H 1 UNL11111111 0.1127 22 H -0.9325 1.5389 -0.1863 H 1 UNL11111111 0.1136 23 H 1.5342 0.7315 -1.6117 H 1 UNL11111111 0.1137 24 H 1.4448 1.7301 -0.1146 H 1 UNL11111111 0.1137 25 H 2.8753 -1.4630 -1.5995 H 1 UNL11111111 0.1404 26 H 3.6216 -2.0376 -0.1015 H 1 UNL11111111 0.1415 27 H 1.8583 -2.0038 -0.2623 H 1 UNL11111111 0.1611 28 H 4.0069 1.7485 0.0324 H 1 UNL11111111 0.1437 29 H 4.9096 0.2326 0.0158 H 1 UNL11111111 0.1503 30 H 4.0986 0.7859 -1.4503 H 1 UNL11111111 0.1434 31 H 1.7424 -0.6297 1.9014 H 1 UNL11111111 0.1608 32 H 3.5078 -0.5983 2.0325 H 1 UNL11111111 0.1409 33 H 2.5895 0.9139 2.0212 H 1 UNL11111111 0.1410 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 8 10 1 10 8 11 1 11 1 12 1 12 2 13 1 13 2 14 1 14 2 15 1 15 3 16 1 16 3 17 1 17 3 18 1 18 4 19 1 19 4 20 1 20 5 21 1 21 5 22 1 22 7 23 1 23 7 24 1 24 9 25 1 25 9 26 1 26 9 27 1 27 10 28 1 28 10 29 1 29 10 30 1 30 11 31 1 31 11 32 1 32 11 33 1