@MOLECULE 2-[bis(2-hydroxyethyl)amino]-1,4-benzoquinone 28 28 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.1283 -1.3354 -1.5459 O.3 1 UNL1111111111 -0.5414 2 O 2.5218 2.1260 1.3307 O.3 1 UNL1111111111 -0.5376 3 O -0.5127 -1.9058 1.5253 O.2 1 UNL1111111111 -0.4182 4 O -3.5390 1.6489 -0.6959 O.2 1 UNL1111111111 -0.4369 5 N 0.8922 0.1278 0.0546 N.pl3 1 UNL1111111111 -0.3620 6 C 1.8306 -0.9244 0.4562 C.3 1 UNL1111111111 -0.1445 7 C 1.5104 1.2429 -0.6803 C.3 1 UNL1111111111 -0.1392 8 C -0.4609 -0.0185 0.0589 C.2 1 UNL1111111111 0.1882 9 C 2.1451 -1.8915 -0.7013 C.3 1 UNL1111111111 -0.0262 10 C 1.6710 2.4575 0.2558 C.3 1 UNL1111111111 -0.0187 11 C -1.0881 -1.2477 0.6944 C.2 1 UNL1111111111 0.4376 12 C -1.3191 0.9379 -0.4090 C.2 1 UNL1111111111 -0.5099 13 C -2.7557 0.7568 -0.4576 C.2 1 UNL1111111111 0.4746 14 C -2.4702 -1.5691 0.2871 C.2 1 UNL1111111111 -0.2542 15 C -3.2671 -0.6341 -0.2324 C.2 1 UNL1111111111 -0.1545 16 H 1.4511 -1.4808 1.3455 H 1 UNL1111111111 0.1875 17 H 2.7761 -0.4362 0.8028 H 1 UNL1111111111 0.1653 18 H 0.9126 1.5134 -1.5805 H 1 UNL1111111111 0.1603 19 H 2.5087 0.9271 -1.0713 H 1 UNL1111111111 0.1782 20 H 1.2829 -2.0302 -1.3817 H 1 UNL1111111111 0.1560 21 H 2.4775 -2.8763 -0.3296 H 1 UNL1111111111 0.1277 22 H 0.7018 2.8171 0.6457 H 1 UNL1111111111 0.1337 23 H 2.2027 3.2864 -0.2484 H 1 UNL1111111111 0.1486 24 H -0.9790 1.8996 -0.7819 H 1 UNL1111111111 0.1913 25 H -2.7857 -2.5948 0.4818 H 1 UNL1111111111 0.1850 26 H -4.3049 -0.8059 -0.5174 H 1 UNL1111111111 0.1788 27 H 4.0060 -1.3360 -1.1147 H 1 UNL1111111111 0.3138 28 H 2.0774 1.4796 1.9187 H 1 UNL1111111111 0.3166 @BOND 1 1 9 1 2 1 27 1 3 2 10 1 4 2 28 1 5 3 11 2 6 4 13 2 7 5 6 1 8 5 7 1 9 5 8 1 10 6 9 1 11 6 16 1 12 6 17 1 13 7 10 1 14 7 18 1 15 7 19 1 16 8 11 1 17 8 12 2 18 9 20 1 19 9 21 1 20 10 22 1 21 10 23 1 22 11 14 1 23 12 13 1 24 12 24 1 25 13 15 1 26 14 15 2 27 14 25 1 28 15 26 1