@MOLECULE 2-isopropyl-5-[3-(trifluoromethyl)-3h-diaziren-3-yl]phenol 28 29 0 0 0 SMALL GASTEIGER @ATOM 1 F 2.4454 -1.7819 0.1741 F 1 UNL1111111111 -0.1724 2 F 4.0123 -0.3653 0.2483 F 1 UNL1111111111 -0.1841 3 F 2.4593 -0.2931 1.6782 F 1 UNL1111111111 -0.1731 4 O -2.3805 1.6561 1.5368 O.3 1 UNL1111111111 -0.4658 5 N 2.4646 1.7373 -0.9533 N.2 1 UNL1111111111 -0.0162 6 N 2.4620 0.8666 -1.8313 N.2 1 UNL1111111111 -0.0135 7 C 1.8767 0.4218 -0.5166 C.3 1 UNL1111111111 -0.0840 8 C 0.4151 0.2710 -0.3664 C.ar 1 UNL1111111111 -0.0065 9 C -3.8432 -0.1981 0.1028 C.3 1 UNL1111111111 -0.0648 10 C -2.3587 -0.0455 -0.0745 C.ar 1 UNL1111111111 -0.0466 11 C 2.6948 -0.4936 0.3856 C.3 1 UNL1111111111 0.5353 12 C -0.2672 1.0782 0.5463 C.ar 1 UNL1111111111 -0.2635 13 C -0.2632 -0.6769 -1.1267 C.ar 1 UNL1111111111 -0.1654 14 C -1.6430 0.9064 0.6760 C.ar 1 UNL1111111111 0.2488 15 C -1.6431 -0.8294 -0.9740 C.ar 1 UNL1111111111 -0.1222 16 C -4.5653 0.1011 -1.2176 C.3 1 UNL1111111111 -0.4466 17 C -4.1701 -1.6135 0.5971 C.3 1 UNL1111111111 -0.4465 18 H -4.2105 0.5324 0.8728 H 1 UNL1111111111 0.1609 19 H 0.2648 1.8194 1.1374 H 1 UNL1111111111 0.1759 20 H 0.2749 -1.3000 -1.8408 H 1 UNL1111111111 0.1712 21 H -2.1670 -1.5775 -1.5712 H 1 UNL1111111111 0.1636 22 H -4.2984 -0.6150 -2.0015 H 1 UNL1111111111 0.1450 23 H -4.3143 1.1031 -1.5853 H 1 UNL1111111111 0.1495 24 H -3.8935 -2.3772 -0.1370 H 1 UNL1111111111 0.1452 25 H -5.2415 -1.7212 0.7985 H 1 UNL1111111111 0.1471 26 H -3.6342 -1.8393 1.5269 H 1 UNL1111111111 0.1505 27 H -5.6524 0.0594 -1.0884 H 1 UNL1111111111 0.1473 28 H -1.8217 2.2903 2.0503 H 1 UNL1111111111 0.3308 @BOND 1 1 11 1 2 2 11 1 3 3 11 1 4 4 14 1 5 4 28 1 6 5 6 2 7 5 7 1 8 6 7 1 9 7 8 1 10 7 11 1 11 8 12 ar 12 8 13 ar 13 9 10 1 14 9 16 1 15 9 17 1 16 9 18 1 17 10 14 ar 18 10 15 ar 19 12 14 ar 20 12 19 1 21 13 15 ar 22 13 20 1 23 15 21 1 24 16 22 1 25 16 23 1 26 16 27 1 27 17 24 1 28 17 25 1 29 17 26 1