@MOLECULE n-[methyl(7h-purin-6-yl)carbamoyl]-l-threonine 35 36 0 0 0 SMALL GASTEIGER @ATOM 1 OG1 2.2266 1.7671 -0.9817 O.3 1 UNL1111111111 -0.5587 2 O 4.9069 0.2676 1.0939 O.3 1 UNL1111111111 -0.5716 3 O 1.2509 -2.4059 -0.7416 O.2 1 UNL1111111111 -0.5277 4 OXT 3.0967 0.7797 2.2999 O.2 1 UNL1111111111 -0.4671 5 N 1.4605 -0.4772 0.4686 N.am 1 UNL1111111111 -0.5391 6 N -0.6890 -1.4330 0.0206 N.am 1 UNL1111111111 -0.4733 7 N -3.8297 -1.0530 0.5932 N.ar 1 UNL1111111111 -0.3592 8 N -0.7911 0.8697 -0.4628 N.ar 1 UNL1111111111 -0.5938 9 N -4.8061 0.9862 0.3553 N.ar 1 UNL1111111111 -0.3721 10 N -2.7823 2.2229 -0.3492 N.ar 1 UNL1111111111 -0.3919 11 CA 2.8656 -0.3071 0.1039 C.3 1 UNL1111111111 -0.0505 12 CB 3.0433 0.6412 -1.1348 C.3 1 UNL1111111111 0.1705 13 CG2 2.7321 -0.0869 -2.4342 C.3 1 UNL1111111111 -0.5029 14 C 0.7433 -1.4688 -0.1607 C.2 0 ACE0 0.7249 15 C -1.4345 -0.2668 -0.1048 C.ar 1 UNL1 0.4355 16 C 3.5637 0.3116 1.3008 C.2 1 UNL1 0.6224 17 C -2.8219 -0.1863 0.1696 C.ar 1 UNL1 -0.2095 18 C -1.3740 -2.7162 -0.2070 C.3 1 UNL1 -0.2370 19 C -3.4621 1.1115 0.0272 C.ar 1 UNL1 0.3183 20 C -4.9987 -0.2961 0.6961 C.ar 1 UNL1 0.1751 21 C -1.4766 2.0498 -0.5633 C.ar 1 UNL1 0.2621 22 HA 3.3298 -1.3097 -0.1286 H 1 UNL1 0.2060 23 HB 4.0716 1.0771 -1.1389 H 1 UNL1 0.1586 24 H 0.9907 0.3394 0.8607 H 1 UNL1 0.3480 25 HG21 1.7329 -0.5413 -2.4325 H 1 UNL1 0.1658 26 HG22 3.4492 -0.8901 -2.6378 H 1 UNL1 0.1605 27 HG23 2.7632 0.6120 -3.2813 H 1 UNL1 0.1667 28 H -0.6610 -3.4832 -0.5859 H 1 UNL1 0.1985 29 H -2.1726 -2.6354 -0.9622 H 1 UNL1 0.1485 30 H -1.7748 -3.0940 0.7495 H 1 UNL1 0.1467 31 HG1 1.2710 1.5248 -0.9969 H 1 UNL1 0.3429 32 H -3.6946 -2.0051 0.8535 H 1 UNL1 0.3269 33 H -5.9456 -0.7192 1.0102 H 1 UNL1 0.2025 34 H -0.8766 2.9318 -0.8565 H 1 UNL1 0.2127 35 H 5.4346 0.6726 1.8255 H 1 UNL1 0.3610 @BOND 1 1 12 1 2 1 31 1 3 2 16 1 4 2 35 1 5 3 14 2 6 4 16 2 7 5 11 1 8 5 14 am 9 5 24 1 10 6 14 am 11 6 15 1 12 6 18 1 13 7 17 ar 14 7 20 ar 15 7 32 1 16 8 15 ar 17 8 21 ar 18 9 19 ar 19 9 20 ar 20 10 19 ar 21 10 21 ar 22 11 12 1 23 11 16 1 24 11 22 1 25 12 13 1 26 12 23 1 27 13 25 1 28 13 26 1 29 13 27 1 30 15 17 ar 31 17 19 ar 32 18 28 1 33 18 29 1 34 18 30 1 35 20 33 1 36 21 34 1