@MOLECULE {(4e)-4-[(acetoxyamino)methylene]-6-methyl-5-oxo-4,5-dihydro-3-pyridinyl}methyl dihydrogen phosphate 33 33 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -3.6068 0.4339 -0.0349 P.3 1 UNL1 0.3608 2 O -2.3080 -0.4864 -0.0437 O.3 1 UNL1 -0.2031 3 O 3.4368 -1.9980 0.1845 O.2 1 UNL1 -0.4608 4 O 2.4478 2.5314 0.8216 O.3 1 UNL1 -0.1896 5 O -3.1771 1.6440 -0.9811 O.3 1 UNL1 -0.3260 6 O -3.6260 1.2016 1.3707 O.3 1 UNL1 -0.4285 7 O -4.7667 -0.3672 -0.3731 O.2 1 UNL1 -0.2513 8 O 1.9315 3.0006 -1.3267 O.2 1 UNL1 -0.4636 9 N 0.2566 -3.4737 -0.2780 N.2 1 UNL1 -0.3461 10 N 1.4913 1.5119 0.8057 N.4 1 UNL1 -0.2739 11 C -0.0592 -1.0861 0.0691 C.2 1 UNL1 -0.0590 12 C 1.3656 -0.8686 0.2166 C.2 1 UNL1 -0.2845 13 C -0.9921 0.0879 0.1709 C.3 1 UNL1 -0.0453 14 C 2.2303 -2.0615 0.0903 C.2 1 UNL1 0.4108 15 C 1.5410 -3.3713 -0.1635 C.2 1 UNL1 0.1246 16 C -0.5450 -2.3328 -0.1686 C.2 1 UNL1 -0.0157 17 C 2.0479 0.2899 0.4562 C.2 1 UNL1 0.1205 18 C 2.4164 -4.5666 -0.2771 C.3 1 UNL1 -0.4406 19 C 2.6087 3.2354 -0.3642 C.2 1 UNL1 0.5319 20 C 3.6768 4.2438 -0.1747 C.3 1 UNL1 -0.5158 21 H -0.7524 0.8318 -0.6244 H 1 UNL1 0.1453 22 H -0.9217 0.5478 1.1837 H 1 UNL1 0.1489 23 H -1.6121 -2.5624 -0.2995 H 1 UNL1 0.2001 24 H 3.1608 0.2600 0.5115 H 1 UNL1 0.2027 25 H 3.1515 -4.4422 -1.0892 H 1 UNL1 0.1740 26 H 1.8440 -5.4861 -0.4771 H 1 UNL1 0.1745 27 H 2.9945 -4.7229 0.6481 H 1 UNL1 0.1722 28 H 0.6351 1.8378 0.3617 H 1 UNL1 0.3079 29 H -3.8778 2.3890 -0.8864 H 1 UNL1 0.3180 30 H -4.0556 0.6083 2.0777 H 1 UNL1 0.3282 31 H 3.3183 5.2518 -0.4479 H 1 UNL1 0.1948 32 H 4.5397 4.0251 -0.8298 H 1 UNL1 0.1986 33 H 4.0546 4.2955 0.8599 H 1 UNL1 0.1902 @BOND 1 8 19 2 2 25 18 1 3 5 29 1 4 5 1 1 5 32 20 1 6 21 13 1 7 26 18 1 8 31 20 1 9 7 1 2 10 19 20 1 11 19 4 1 12 23 16 1 13 9 16 1 14 9 15 2 15 18 15 1 16 18 27 1 17 20 33 1 18 16 11 2 19 15 14 1 20 2 1 1 21 2 13 1 22 1 6 1 23 11 13 1 24 11 12 1 25 14 3 2 26 14 12 1 27 13 22 1 28 12 17 2 29 28 10 1 30 17 24 1 31 17 10 1 32 10 4 1 33 6 30 1