@MOLECULE precursor z hydrate 38 41 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 P -2.4687 -1.7690 0.0131 P.3 1 UNL1 0.3359 2 O -0.4894 0.8746 1.5676 O.3 1 UNL1 -0.4596 3 O -2.0511 -0.4069 -0.7380 O.3 1 UNL1 -0.3155 4 O -1.8137 3.1187 -0.5400 O.3 1 UNL1 -0.6024 5 O -1.6715 1.7266 -2.2966 O.3 1 UNL1 -0.5899 6 O -2.1126 -1.5604 1.5493 O.3 1 UNL1 -0.1692 7 O -4.0632 -1.7193 0.0382 O.3 1 UNL1 -0.3860 8 O -1.8014 -2.9030 -0.5874 O.2 1 UNL1 -0.1773 9 O 2.4759 -1.2598 -2.4143 O.2 1 UNL1 -0.4007 10 N 0.6995 0.5207 -1.1959 N.pl3 1 UNL1 -0.4424 11 N 1.6349 1.6409 1.3568 N.pl3 1 UNL1 -0.5237 12 N 3.5799 0.2692 1.1682 N.ar 1 UNL1 -0.5435 13 N 4.0021 -1.1233 -0.7383 N.ar 1 UNL1 -0.6114 14 N 5.4939 -1.1165 1.0886 N.pl3 1 UNL1 -0.6109 15 C 0.1194 1.7462 -0.6307 C.3 1 UNL1 -0.0954 16 C -1.3998 1.8305 -0.9339 C.3 1 UNL1 0.4883 17 C -2.2925 0.8547 -0.1066 C.3 1 UNL1 0.0285 18 C -1.8925 0.9366 1.3826 C.3 1 UNL1 0.0420 19 C 0.2634 1.8825 0.9063 C.3 1 UNL1 0.2394 20 C -2.4005 -0.2885 2.1639 C.3 1 UNL1 -0.0605 21 C 1.9220 0.1563 -0.5783 C.ar 1 UNL1 -0.1635 22 C 2.3385 0.6494 0.6315 C.ar 1 UNL1 0.3044 23 C 2.7658 -0.7888 -1.3467 C.ar 1 UNL1 0.6052 24 C 4.3450 -0.6560 0.4314 C.ar 1 UNL1 0.5671 25 H 0.6386 2.6125 -1.1298 H 1 UNL1 0.1855 26 H -3.3645 1.1435 -0.2480 H 1 UNL1 0.1603 27 H -2.2560 1.8934 1.8236 H 1 UNL1 0.1378 28 H -0.0657 2.8913 1.2694 H 1 UNL1 0.1530 29 H 0.0419 -0.2704 -1.1961 H 1 UNL1 0.3080 30 H -1.8259 -0.4221 3.1132 H 1 UNL1 0.1594 31 H -3.4857 -0.1947 2.4064 H 1 UNL1 0.1433 32 H 1.6984 1.5632 2.3737 H 1 UNL1 0.2982 33 H -2.0359 3.6673 -1.3261 H 1 UNL1 0.3595 34 H -1.1253 1.0220 -2.7297 H 1 UNL1 0.3789 35 H 3.8762 0.6102 2.0658 H 1 UNL1 0.3232 36 H -4.4177 -2.0954 -0.8461 H 1 UNL1 0.3269 37 H 6.0804 -0.4395 1.5384 H 1 UNL1 0.2890 38 H 6.0165 -1.8180 0.5740 H 1 UNL1 0.3184 @BOND 1 34 5 1 2 9 23 2 3 5 16 1 4 23 13 ar 5 23 21 ar 6 33 4 1 7 29 10 1 8 10 15 1 9 10 21 1 10 25 15 1 11 16 15 1 12 16 4 1 13 16 17 1 14 36 7 1 15 13 24 ar 16 3 17 1 17 3 1 1 18 15 19 1 19 8 1 2 20 21 22 ar 21 26 17 1 22 17 18 1 23 1 7 1 24 1 6 1 25 24 14 1 26 24 12 ar 27 38 14 1 28 22 12 ar 29 22 11 1 30 19 28 1 31 19 11 1 32 19 2 1 33 14 37 1 34 12 35 1 35 11 32 1 36 18 2 1 37 18 27 1 38 18 20 1 39 6 20 1 40 20 31 1 41 20 30 1