@MOLECULE 1-isopropoxy-3,3-dimethyl-butane 30 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.6647 0.0140 -0.3502 C.3 1 UNL11111111 0.1617 2 C -3.6660 -1.0601 0.0833 C.3 1 UNL11111111 -0.4707 3 C -3.0511 1.3952 0.1856 C.3 1 UNL11111111 -0.4960 4 O -1.4495 -0.4060 0.2565 O.3 1 UNL11111111 -0.4280 5 C -0.2780 0.1197 -0.3544 C.3 1 UNL11111111 -0.0322 6 C 0.8549 -0.3990 0.5355 C.3 1 UNL11111111 -0.3231 7 C 2.2578 -0.0125 0.0256 C.3 1 UNL11111111 0.1329 8 C 2.4132 1.5149 -0.0358 C.3 1 UNL11111111 -0.4664 9 C 3.2937 -0.5812 1.0143 C.3 1 UNL11111111 -0.4665 10 C 2.5169 -0.6125 -1.3654 C.3 1 UNL11111111 -0.4661 11 H -2.5505 0.0297 -1.4558 H 1 UNL11111111 0.1067 12 H -4.6734 -0.8370 -0.2766 H 1 UNL11111111 0.1459 13 H -3.3702 -2.0449 -0.2981 H 1 UNL11111111 0.1547 14 H -3.7004 -1.1410 1.1771 H 1 UNL11111111 0.1599 15 H -4.0667 1.6708 -0.1117 H 1 UNL11111111 0.1476 16 H -3.0061 1.4074 1.2822 H 1 UNL11111111 0.1615 17 H -2.3709 2.1727 -0.1745 H 1 UNL11111111 0.1454 18 H -0.2084 -0.2665 -1.3855 H 1 UNL11111111 0.1129 19 H -0.3233 1.2209 -0.3694 H 1 UNL11111111 0.1138 20 H 0.7070 -0.0212 1.5661 H 1 UNL11111111 0.1527 21 H 0.7716 -1.5010 0.6162 H 1 UNL11111111 0.1545 22 H 2.1674 1.9790 0.9250 H 1 UNL11111111 0.1462 23 H 3.4416 1.7970 -0.2855 H 1 UNL11111111 0.1446 24 H 1.7613 1.9581 -0.7945 H 1 UNL11111111 0.1417 25 H 3.2160 -1.6705 1.0903 H 1 UNL11111111 0.1452 26 H 4.3150 -0.3454 0.6993 H 1 UNL11111111 0.1436 27 H 3.1556 -0.1677 2.0185 H 1 UNL11111111 0.1451 28 H 1.8675 -0.1700 -2.1269 H 1 UNL11111111 0.1420 29 H 3.5513 -0.4426 -1.6822 H 1 UNL11111111 0.1441 30 H 2.3433 -1.6938 -1.3693 H 1 UNL11111111 0.1466 @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 7 9 1 9 7 10 1 10 1 11 1 11 2 12 1 12 2 13 1 13 2 14 1 14 3 15 1 15 3 16 1 16 3 17 1 17 5 18 1 18 5 19 1 19 6 20 1 20 6 21 1 21 8 22 1 22 8 23 1 23 8 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