@MOLECULE 1-diazo-2-undecanone 34 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.4611 -1.9231 0.3643 O.2 1 UNL1 -0.4436 2 N -4.2324 1.5673 0.1005 N.3 1 UNL1 0.3703 3 N -3.8522 2.6055 -0.1497 N.3 1 UNL1 -0.1527 4 C 2.2810 -0.1312 -0.4655 C.3 1 UNL1 -0.2730 5 C 0.9718 -0.2104 0.3302 C.3 1 UNL1 -0.2704 6 C 3.4820 0.0227 0.4763 C.3 1 UNL1 -0.2743 7 C -0.2203 -0.4127 -0.6140 C.3 1 UNL1 -0.2708 8 C 4.7922 0.0511 -0.3209 C.3 1 UNL1 -0.2726 9 C -1.5276 -0.5225 0.1803 C.3 1 UNL1 -0.2553 10 C 5.9975 0.2113 0.6152 C.3 1 UNL1 -0.2509 11 C -2.7056 -0.7917 -0.7628 C.3 1 UNL1 -0.3913 12 C 7.3067 0.1868 -0.1736 C.3 1 UNL1 -0.4396 13 C -3.9900 -0.8631 0.0301 C.2 1 UNL1 0.5198 14 C -4.6680 0.3876 0.3879 C.3 1 UNL1 -0.5279 15 H 2.2443 0.7177 -1.1733 H 1 UNL1 0.1362 16 H 2.4023 -1.0390 -1.0859 H 1 UNL1 0.1376 17 H 1.0232 -1.0398 1.0608 H 1 UNL1 0.1402 18 H 0.8350 0.7109 0.9262 H 1 UNL1 0.1369 19 H 3.5015 -0.8093 1.2049 H 1 UNL1 0.1375 20 H 3.3801 0.9476 1.0737 H 1 UNL1 0.1366 21 H -0.0680 -1.3249 -1.2221 H 1 UNL1 0.1423 22 H -0.2788 0.4255 -1.3331 H 1 UNL1 0.1372 23 H 4.7730 0.8775 -1.0553 H 1 UNL1 0.1363 24 H 4.8954 -0.8776 -0.9126 H 1 UNL1 0.1370 25 H -1.6939 0.4012 0.7643 H 1 UNL1 0.1348 26 H -1.4506 -1.3410 0.9251 H 1 UNL1 0.1541 27 H 5.9985 -0.5951 1.3727 H 1 UNL1 0.1341 28 H 5.9137 1.1586 1.1805 H 1 UNL1 0.1336 29 H -2.5495 -1.7601 -1.2884 H 1 UNL1 0.1807 30 H -2.7596 -0.0312 -1.5614 H 1 UNL1 0.1560 31 H 8.1712 0.3118 0.4877 H 1 UNL1 0.1406 32 H 7.3418 0.9907 -0.9172 H 1 UNL1 0.1423 33 H 7.4349 -0.7614 -0.7075 H 1 UNL1 0.1425 34 H -5.6091 0.2689 0.9373 H 1 UNL1 0.2357 @BOND 1 30 11 1 2 22 7 1 3 29 11 1 4 21 7 1 5 15 4 1 6 16 4 1 7 23 8 1 8 32 12 1 9 24 8 1 10 11 13 1 11 11 9 1 12 33 12 1 13 7 9 1 14 7 5 1 15 4 5 1 16 4 6 1 17 8 6 1 18 8 10 1 19 12 31 1 20 12 10 1 21 3 2 1 22 13 1 2 23 13 14 1 24 2 14 1 25 9 25 1 26 9 26 1 27 5 18 1 28 5 17 1 29 14 34 1 30 6 20 1 31 6 19 1 32 10 28 1 33 10 27 1