@MOLECULE ethyl n-[2,2-dimethyl-3-(nitrooxy)propanoyl]-l-cysteinate 37 36 0 0 0 SMALL USER_CHARGES @ATOM 1 S -0.9959 2.5365 0.1226 S.3 1 UNL111 -0.1839 2 O 2.8541 0.1719 -0.1510 O.2 1 UNL111 -0.2925 3 O 0.7697 -1.3325 2.1941 O.2 1 UNL111 -0.5202 4 O -2.7335 -0.5060 -0.5936 O.3 1 UNL111 -0.4236 5 O -3.7749 0.3720 1.1914 O.2 1 UNL111 -0.5054 6 O 2.7233 1.5094 -1.9371 O.2 1 UNL111 -0.3772 7 O 3.5327 2.2241 -0.0334 O.2 1 UNL111 -0.2905 8 N -0.3722 -0.5704 0.4159 N.am 1 UNL111 -0.6082 9 N 3.0460 1.4164 -0.7772 N.pl3 1 UNL111 0.7155 10 C 1.7202 -1.8681 0.0328 C.3 1 UNL111 0.0062 11 C 2.2564 -0.8347 -0.9752 C.3 1 UNL111 -0.0954 12 C 0.6985 -1.2350 0.9879 C.2 1 UNL111 0.5727 13 C 1.0351 -2.9999 -0.7356 C.3 1 UNL111 -0.4577 14 C 2.8743 -2.4111 0.8757 C.3 1 UNL111 -0.4430 15 C -1.3764 0.0395 1.2834 C.3 1 UNL111 0.0330 16 C -1.0364 1.4964 1.6290 C.3 1 UNL111 -0.3432 17 C -2.7643 0.0010 0.6536 C.2 1 UNL111 0.5721 18 C -3.9957 -0.5774 -1.2826 C.3 1 UNL111 0.0113 19 C -3.6252 -1.1072 -2.6575 C.3 1 UNL111 -0.4647 20 H 1.4608 -0.4101 -1.6135 H 1 UNL111 0.1517 21 H 3.0427 -1.2593 -1.6243 H 1 UNL111 0.1505 22 H 0.2172 -2.6437 -1.3724 H 1 UNL111 0.1523 23 H 0.6042 -3.7392 -0.0441 H 1 UNL111 0.1678 24 H 1.7428 -3.5408 -1.3754 H 1 UNL111 0.1581 25 H 3.6333 -2.9062 0.2631 H 1 UNL111 0.1471 26 H 3.3681 -1.6076 1.4439 H 1 UNL111 0.1732 27 H 2.5171 -3.1330 1.6244 H 1 UNL111 0.1675 28 H -1.4277 -0.5567 2.2526 H 1 UNL111 0.2053 29 H -0.4672 -0.4236 -0.5764 H 1 UNL111 0.3292 30 H -1.7475 1.8902 2.3790 H 1 UNL111 0.1786 31 H -0.0303 1.5418 2.1020 H 1 UNL111 0.1955 32 H -2.0277 3.3595 0.3488 H 1 UNL111 0.1667 33 H -4.4388 0.4337 -1.3136 H 1 UNL111 0.1381 34 H -4.6587 -1.2553 -0.7174 H 1 UNL111 0.1361 35 H -2.9208 -0.4365 -3.1678 H 1 UNL111 0.1618 36 H -3.1402 -2.0897 -2.5910 H 1 UNL111 0.1581 37 H -4.5133 -1.2077 -3.2928 H 1 UNL111 0.1571 @BOND 1 37 19 1 2 35 19 1 3 19 36 1 4 19 18 1 5 6 9 2 6 21 11 1 7 20 11 1 8 24 13 1 9 22 13 1 10 33 18 1 11 18 34 1 12 18 4 1 13 11 2 1 14 11 10 1 15 9 2 1 16 9 7 2 17 13 23 1 18 13 10 1 19 4 17 1 20 29 8 1 21 10 14 1 22 10 12 1 23 1 32 1 24 1 16 1 25 25 14 1 26 8 12 am 27 8 15 1 28 17 5 2 29 17 15 1 30 14 26 1 31 14 27 1 32 12 3 2 33 15 16 1 34 15 28 1 35 16 31 1 36 16 30 1