@MOLECULE n-(3,5-dimethylbenzoyl)glycine 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.9587 -0.7682 1.9050 O.2 1 UNL1111111111 -0.3021 2 O 3.1022 0.0494 -1.6767 O.3 1 UNL1111111111 -0.4583 3 O 4.8621 -0.4350 -0.3974 O.2 1 UNL1111111111 -0.3558 4 N 1.5113 0.7242 0.2945 N.am 1 UNL1111111111 -0.5574 5 C -0.7921 -0.0337 0.4575 C.ar 1 UNL1111111111 -0.0950 6 C -2.7635 1.2057 -0.1578 C.ar 1 UNL1111111111 0.4265 7 C -2.7522 -1.2146 -0.2925 C.ar 1 UNL1111111111 0.4469 8 C -1.4349 -1.2351 0.1730 C.ar 1 UNL1111111111 -0.3574 9 C -1.4448 1.1867 0.3019 C.ar 1 UNL1111111111 -0.4010 10 C -3.4103 0.0051 -0.4588 C.ar 1 UNL1111111111 -0.5454 11 C 0.6058 -0.0929 0.9618 C.2 1 UNL1111111111 0.4405 12 C -3.4667 2.5078 -0.3360 C.3 1 UNL1111111111 -0.9732 13 C -3.4507 -2.4973 -0.5891 C.3 1 UNL1111111111 -0.9957 14 C 2.9261 0.6366 0.6189 C.3 1 UNL1111111111 -0.4158 15 C 3.7523 0.0145 -0.4859 C.2 1 UNL1111111111 0.4154 16 H -0.9163 -2.1820 0.3245 H 1 UNL1111111111 0.2606 17 H -0.9384 2.1179 0.5475 H 1 UNL1111111111 0.2187 18 H -4.4361 0.0207 -0.8206 H 1 UNL1111111111 0.2663 19 H -4.5590 2.3979 -0.3702 H 1 UNL1111111111 0.2747 20 H -3.2435 3.2114 0.4792 H 1 UNL1111111111 0.2879 21 H -3.1623 2.9926 -1.2765 H 1 UNL1111111111 0.2605 22 H -4.3199 -2.3654 -1.2468 H 1 UNL1111111111 0.2761 23 H -2.7871 -3.2258 -1.0776 H 1 UNL1111111111 0.2911 24 H -3.8161 -2.9653 0.3393 H 1 UNL1111111111 0.3075 25 H 1.2718 1.1617 -0.5843 H 1 UNL1111111111 0.4272 26 H 3.0762 0.0377 1.5632 H 1 UNL1111111111 0.2951 27 H 3.3282 1.6597 0.8336 H 1 UNL1111111111 0.2332 28 H 3.6124 -0.3624 -2.4180 H 1 UNL1111111111 0.3289 @BOND 1 1 11 2 2 2 15 1 3 2 28 1 4 3 15 2 5 4 11 am 6 4 14 1 7 4 25 1 8 5 8 ar 9 5 9 ar 10 5 11 1 11 6 9 ar 12 6 10 ar 13 6 12 1 14 7 8 ar 15 7 10 ar 16 7 13 1 17 8 16 1 18 9 17 1 19 10 18 1 20 12 19 1 21 12 20 1 22 12 21 1 23 13 22 1 24 13 23 1 25 13 24 1 26 14 15 1 27 14 26 1 28 14 27 1