@MOLECULE itanoxone 34 35 0 0 0 SMALL GASTEIGER @ATOM 1 CL -2.7760 2.1461 0.2912 Cl 1 UNL1111111111 -0.0704 2 O 2.9820 -1.6316 -0.9986 O.2 1 UNL1111111111 -0.4188 3 O 6.3456 0.9746 -0.4867 O.3 1 UNL1111111111 -0.5565 4 O 4.3780 2.0064 -0.3855 O.2 1 UNL1111111111 -0.5056 5 C -1.8287 -0.6265 -0.0952 C.ar 1 UNL1111111111 0.0098 6 C 0.9335 -0.8801 -0.1128 C.ar 1 UNL1111111111 -0.1450 7 C -3.2851 -0.4480 -0.0704 C.ar 1 UNL1111111111 -0.0523 8 C -1.1167 -0.3497 -1.2639 C.ar 1 UNL1111111111 -0.1503 9 C -1.1634 -1.0405 1.0609 C.ar 1 UNL1111111111 -0.1551 10 C 0.2689 -0.4851 -1.2739 C.ar 1 UNL1111111111 -0.0854 11 C 0.2229 -1.1648 1.0521 C.ar 1 UNL1111111111 -0.1155 12 C 2.4138 -0.9925 -0.1518 C.2 1 UNL1111111111 0.4719 13 C 3.1588 -0.2269 0.9224 C.3 1 UNL1111111111 -0.3824 14 C -3.8356 0.8194 0.1059 C.ar 1 UNL1111111111 0.0125 15 C -4.1487 -1.5343 -0.2197 C.ar 1 UNL1111111111 -0.1302 16 C 4.6199 -0.1724 0.6232 C.2 1 UNL1111111111 -0.0786 17 C -5.2053 1.0390 0.1383 C.ar 1 UNL1111111111 -0.1645 18 C -5.5281 -1.3353 -0.1917 C.ar 1 UNL1111111111 -0.1490 19 C -6.0552 -0.0564 -0.0135 C.ar 1 UNL1111111111 -0.1269 20 C 5.0392 1.0363 -0.1136 C.2 1 UNL1111111111 0.6368 21 C 5.4814 -1.1356 0.9587 C.2 1 UNL1111111111 -0.1968 22 H -1.6444 -0.0245 -2.1599 H 1 UNL1111111111 0.1650 23 H -1.7290 -1.2544 1.9661 H 1 UNL1111111111 0.1597 24 H 0.8356 -0.2807 -2.1847 H 1 UNL1111111111 0.1693 25 H 0.7417 -1.4866 1.9532 H 1 UNL1111111111 0.1505 26 H 2.9686 -0.6938 1.9123 H 1 UNL1111111111 0.1771 27 H 2.7273 0.8021 1.0046 H 1 UNL1111111111 0.2018 28 H -3.7393 -2.5346 -0.3601 H 1 UNL1111111111 0.1648 29 H -5.6125 2.0402 0.2782 H 1 UNL1111111111 0.1730 30 H -6.1985 -2.1858 -0.3105 H 1 UNL1111111111 0.1581 31 H -7.1344 0.0902 0.0072 H 1 UNL1111111111 0.1567 32 H 5.1926 -2.0358 1.4846 H 1 UNL1111111111 0.1527 33 H 6.5390 -1.1017 0.7193 H 1 UNL1111111111 0.1673 34 H 6.6401 1.7675 -1.0004 H 1 UNL1111111111 0.3562 @BOND 1 1 14 1 2 2 12 2 3 3 20 1 4 3 34 1 5 4 20 2 6 5 7 1 7 5 8 ar 8 5 9 ar 9 6 10 ar 10 6 11 ar 11 6 12 1 12 7 14 ar 13 7 15 ar 14 8 10 ar 15 8 22 1 16 9 11 ar 17 9 23 1 18 10 24 1 19 11 25 1 20 12 13 1 21 13 16 1 22 13 26 1 23 13 27 1 24 14 17 ar 25 15 18 ar 26 15 28 1 27 16 20 1 28 16 21 2 29 17 19 ar 30 17 29 1 31 18 19 ar 32 18 30 1 33 19 31 1 34 21 32 1 35 21 33 1