@MOLECULE n-carbamoyl-d-methionine 24 23 0 0 0 SMALL USER_CHARGES @ATOM 1 SD -3.0183 -0.8611 0.4891 S.3 1 UNL11111111 0.0023 2 O 0.5997 2.0110 -1.3421 O.3 1 UNL11111111 -0.5737 3 OXT 0.4130 2.9631 0.6637 O.2 1 UNL11111111 -0.4796 4 O 2.8285 -1.2956 1.1422 O.2 1 UNL11111111 -0.5499 5 N 1.5989 -0.2164 -0.4626 N.am 1 UNL11111111 -0.6247 6 N 3.0463 -1.9918 -1.0251 N.am 1 UNL11111111 -0.6955 7 CA 0.8956 0.5697 0.5447 C.3 1 UNL11111111 0.0427 8 CB -0.4513 -0.0505 0.9883 C.3 1 UNL11111111 -0.2979 9 CG -1.4332 -0.1937 -0.1659 C.3 1 UNL11111111 -0.3297 10 C 0.6244 1.9739 0.0198 C.2 1 UNL11111111 0.6076 11 C 2.5153 -1.1754 -0.0270 C.2 0 ACE0 0.7245 12 CE -4.0737 -0.8188 -0.9920 C.3 1 UNL1 -0.5009 13 HA 1.5628 0.6645 1.4617 H 1 UNL1 0.2083 14 HB1 -0.8765 0.5761 1.8039 H 1 UNL1 0.1740 15 HB2 -0.2381 -1.0397 1.4539 H 1 UNL1 0.1793 16 HG1 -1.6137 0.7767 -0.6630 H 1 UNL1 0.1588 17 HG2 -1.0394 -0.8776 -0.9391 H 1 UNL1 0.1532 18 H 1.2254 -0.2068 -1.3980 H 1 UNL1 0.3251 19 HE1 -3.6575 -1.4076 -1.8155 H 1 UNL1 0.1605 20 HE2 -4.2445 0.2037 -1.3442 H 1 UNL1 0.1628 21 HE3 -5.0481 -1.2511 -0.7282 H 1 UNL1 0.1746 22 H 0.5056 2.9314 -1.7033 H 1 UNL1 0.3619 23 H 3.0039 -1.7383 -1.9898 H 1 UNL1 0.2997 24 H 3.8157 -2.5811 -0.7672 H 1 UNL1 0.3166 @BOND 1 23 6 1 2 19 12 1 3 22 2 1 4 18 5 1 5 20 12 1 6 2 10 1 7 6 24 1 8 6 11 am 9 12 21 1 10 12 1 1 11 17 9 1 12 16 9 1 13 5 11 am 14 5 7 1 15 9 1 1 16 9 8 1 17 11 4 2 18 10 7 1 19 10 3 2 20 7 8 1 21 7 13 1 22 8 15 1 23 8 14 1