@MOLECULE 2-[(4-azido-2-nitrophenyl)amino]ethyl trihydrogen diphosphate 35 35 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -3.4579 1.2745 0.3156 P.3 1 UNL1 0.3654 2 P -3.9536 -1.7447 0.2566 P.3 1 UNL1 0.3937 3 O -2.0204 1.5877 -0.2912 O.3 1 UNL1 -0.2071 4 O -3.3849 -0.2876 0.5160 O.3 1 UNL1 -0.2464 5 O -4.4700 1.4458 -0.9113 O.3 1 UNL1 -0.4088 6 O -3.6672 2.0516 1.5199 O.2 1 UNL1 -0.2172 7 O 4.1326 2.9596 0.4497 O.2 1 UNL1 -0.3904 8 O 2.0113 2.8967 0.1562 O.2 1 UNL1 -0.4806 9 O -5.3846 -1.7722 0.9485 O.3 1 UNL1 -0.3693 10 O -4.3332 -1.9073 -1.2703 O.3 1 UNL1 -0.2939 11 O -2.9190 -2.6545 0.7029 O.2 1 UNL1 -0.2025 12 N 0.8292 0.6874 -0.5192 N.pl3 1 UNL1 -0.4529 13 N 3.1126 2.3451 0.1840 N.pl3 1 UNL1 0.6694 14 N 5.9401 -1.5696 -0.4541 N.2 1 UNL1 -0.4167 15 N 6.6846 -1.7285 0.5345 N.2 1 UNL1 0.4266 16 N 7.5285 -1.9647 1.2586 N.2 1 UNL1 -0.2099 17 C -0.3742 -0.0841 -0.8567 C.3 1 UNL1 -0.1162 18 C -1.4476 0.8820 -1.4011 C.3 1 UNL1 -0.0400 19 C 2.0603 0.1440 -0.4173 C.ar 1 UNL1 0.3326 20 C 3.2032 0.9451 -0.1021 C.ar 1 UNL1 -0.2887 21 C 2.2779 -1.2545 -0.6468 C.ar 1 UNL1 -0.3323 22 C 4.4875 0.3725 -0.0784 C.ar 1 UNL1 -0.0076 23 C 3.5337 -1.7975 -0.6045 C.ar 1 UNL1 0.0013 24 C 4.6578 -0.9787 -0.3228 C.ar 1 UNL1 -0.0152 25 H -0.1513 -0.8614 -1.6204 H 1 UNL1 0.1490 26 H -0.7367 -0.6220 0.0571 H 1 UNL1 0.1918 27 H -0.9950 1.7236 -1.9770 H 1 UNL1 0.1456 28 H -2.1429 0.3489 -2.0776 H 1 UNL1 0.1495 29 H 0.6760 1.6642 -0.2346 H 1 UNL1 0.3585 30 H 1.4220 -1.8967 -0.8464 H 1 UNL1 0.1764 31 H 5.3561 1.0116 0.1356 H 1 UNL1 0.1935 32 H 3.6941 -2.8636 -0.7907 H 1 UNL1 0.1685 33 H -5.0817 2.2409 -0.7336 H 1 UNL1 0.3222 34 H -5.2756 -1.5560 1.9457 H 1 UNL1 0.3299 35 H -5.0613 -1.2132 -1.5040 H 1 UNL1 0.3218 @BOND 1 28 18 1 2 27 18 1 3 25 17 1 4 35 10 1 5 18 17 1 6 18 3 1 7 10 2 1 8 5 33 1 9 5 1 1 10 17 12 1 11 17 26 1 12 30 21 1 13 32 23 1 14 21 23 ar 15 21 19 ar 16 23 24 ar 17 12 19 1 18 12 29 1 19 14 24 1 20 14 15 2 21 19 20 ar 22 24 22 ar 23 3 1 1 24 20 22 ar 25 20 13 1 26 22 31 1 27 8 13 2 28 13 7 2 29 2 4 1 30 2 11 2 31 2 9 1 32 1 4 1 33 1 6 2 34 15 16 2 35 9 34 1