@MOLECULE isopropoxybenzene 22 22 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.0197 -0.6910 0.0434 O.3 1 UNL1111111111 -0.3691 2 C 2.0729 0.2632 0.2446 C.3 1 UNL1111111111 0.1604 3 C 3.2652 -0.6349 0.5711 C.3 1 UNL1111111111 -0.4698 4 C 2.2794 1.0548 -1.0419 C.3 1 UNL1111111111 -0.4973 5 C -0.2663 -0.2683 0.0528 C.ar 1 UNL1111111111 0.2746 6 C -0.7025 1.0188 0.3700 C.ar 1 UNL1111111111 -0.3152 7 C -1.1740 -1.2905 -0.2779 C.ar 1 UNL1111111111 -0.2601 8 C -2.0724 1.2808 0.3542 C.ar 1 UNL1111111111 -0.0692 9 C -2.5301 -1.0026 -0.2851 C.ar 1 UNL1111111111 -0.0744 10 C -2.9844 0.2818 0.0292 C.ar 1 UNL1111111111 -0.2326 11 H 1.8172 0.9197 1.1043 H 1 UNL1111111111 0.1216 12 H 4.1780 -0.0471 0.7069 H 1 UNL1111111111 0.1533 13 H 3.0859 -1.2100 1.4886 H 1 UNL1111111111 0.1598 14 H 3.4445 -1.3633 -0.2308 H 1 UNL1111111111 0.1636 15 H 3.1306 1.7383 -0.9614 H 1 UNL1111111111 0.1550 16 H 1.3927 1.6477 -1.2983 H 1 UNL1111111111 0.1587 17 H 2.4659 0.3843 -1.8914 H 1 UNL1111111111 0.1649 18 H -0.0053 1.8066 0.6283 H 1 UNL1111111111 0.1604 19 H -0.7995 -2.2810 -0.5199 H 1 UNL1111111111 0.1706 20 H -2.4277 2.2810 0.6004 H 1 UNL1111111111 0.1448 21 H -3.2476 -1.7827 -0.5384 H 1 UNL1111111111 0.1481 22 H -4.0487 0.4964 0.0193 H 1 UNL1111111111 0.1520 @BOND 1 1 2 1 2 1 5 1 3 2 3 1 4 2 4 1 5 2 11 1 6 3 12 1 7 3 13 1 8 3 14 1 9 4 15 1 10 4 16 1 11 4 17 1 12 5 6 ar 13 5 7 ar 14 6 8 ar 15 6 18 1 16 7 9 ar 17 7 19 1 18 8 10 ar 19 8 20 1 20 9 10 ar 21 9 21 1 22 10 22 1