@MOLECULE 9-[3-(3h-diaziren-3-yl)phenoxy]nonanoic acid 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6596 1.4729 0.0874 O.3 1 UNL11 -0.3406 2 O 9.4141 0.0363 -0.4699 O.3 1 UNL11 -0.5743 3 O 8.1924 -1.7965 -0.1452 O.2 1 UNL11 -0.5053 4 N -5.4796 -2.9914 0.2260 N.2 1 UNL11 -0.0726 5 N -6.2551 -2.8459 -0.7283 N.2 1 UNL11 -0.0543 6 C 2.1394 0.9665 0.3121 C.3 1 UNL11 -0.2737 7 C 3.3087 -0.0231 0.3800 C.3 1 UNL11 -0.2708 8 C 0.8011 0.2351 0.4749 C.3 1 UNL11 -0.2683 9 C 4.6411 0.6988 0.1410 C.3 1 UNL11 -0.2724 10 C -0.3650 1.2132 0.3067 C.3 1 UNL11 -0.2929 11 C 5.7953 -0.3080 0.1127 C.3 1 UNL11 -0.2571 12 C -1.6942 0.4635 0.4087 C.3 1 UNL11 -0.0406 13 C 7.1238 0.4000 -0.1652 C.3 1 UNL11 -0.3478 14 C -6.3603 -1.7745 0.3257 C.3 1 UNL11 -0.1199 15 C -5.8044 -0.4308 0.0636 C.ar 1 UNL11 0.0414 16 C -3.9528 1.0881 -0.0214 C.ar 1 UNL11 0.2652 17 C -4.4373 -0.1954 0.2241 C.ar 1 UNL11 -0.3044 18 C 8.2309 -0.5995 -0.2457 C.2 1 UNL11 0.6467 19 C -6.6672 0.5904 -0.3260 C.ar 1 UNL11 -0.2181 20 C -4.8071 2.1340 -0.4147 C.ar 1 UNL11 -0.2410 21 C -6.1601 1.8718 -0.5624 C.ar 1 UNL11 -0.0745 22 H 2.2486 1.7399 1.0947 H 1 UNL11 0.1377 23 H 2.1588 1.5087 -0.6530 H 1 UNL11 0.1391 24 H 3.1713 -0.8227 -0.3729 H 1 UNL11 0.1407 25 H 3.3214 -0.5315 1.3620 H 1 UNL11 0.1389 26 H 0.7547 -0.2530 1.4667 H 1 UNL11 0.1396 27 H 0.7257 -0.5806 -0.2701 H 1 UNL11 0.1418 28 H 4.8087 1.4551 0.9305 H 1 UNL11 0.1378 29 H 4.6005 1.2584 -0.8129 H 1 UNL11 0.1386 30 H -0.3208 2.0149 1.0684 H 1 UNL11 0.1525 31 H -0.3031 1.7320 -0.6711 H 1 UNL11 0.1571 32 H 5.8498 -0.8607 1.0718 H 1 UNL11 0.1529 33 H 5.6102 -1.0842 -0.6576 H 1 UNL11 0.1551 34 H -1.8906 0.0912 1.4284 H 1 UNL11 0.1307 35 H -1.7644 -0.3609 -0.3220 H 1 UNL11 0.1317 36 H 7.0743 0.9828 -1.1113 H 1 UNL11 0.1817 37 H 7.3469 1.1524 0.6230 H 1 UNL11 0.1814 38 H -7.2159 -1.8088 1.0163 H 1 UNL11 0.1936 39 H -3.7808 -1.0015 0.5378 H 1 UNL11 0.1758 40 H -7.7288 0.3953 -0.4559 H 1 UNL11 0.1625 41 H -4.3944 3.1234 -0.5969 H 1 UNL11 0.1747 42 H -6.8370 2.6703 -0.8684 H 1 UNL11 0.1553 43 H 10.1876 -0.5740 -0.5355 H 1 UNL11 0.3563 @BOND 1 1 12 1 2 1 16 1 3 2 18 1 4 2 43 1 5 3 18 2 6 4 5 2 7 4 14 1 8 5 14 1 9 6 7 1 10 6 8 1 11 6 22 1 12 6 23 1 13 7 9 1 14 7 24 1 15 7 25 1 16 8 10 1 17 8 26 1 18 8 27 1 19 9 11 1 20 9 28 1 21 9 29 1 22 10 12 1 23 10 30 1 24 10 31 1 25 11 13 1 26 11 32 1 27 11 33 1 28 12 34 1 29 12 35 1 30 13 18 1 31 13 36 1 32 13 37 1 33 14 15 1 34 14 38 1 35 15 17 ar 36 15 19 ar 37 16 17 ar 38 16 20 ar 39 17 39 1 40 19 21 ar 41 19 40 1 42 20 21 ar 43 20 41 1 44 21 42 1