@MOLECULE FDBD02162 39 39 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.6698 -5.2684 2.6155 C.3 1 UNK -0.0411 2 C1 -1.5195 -4.6562 1.2214 C.3 1 UNK 0.0525 3 O -1.6923 -3.2400 1.3018 O.3 1 UNK -0.3235 4 P -1.7366 -2.2869 0.0050 P.3 1 UNK 0.2348 5 S -3.3625 -2.5132 -0.8769 S.2 1 UNK 0.0033 6 O1 -1.5834 -0.7509 0.4624 O.3 1 UNK -0.3235 7 C2 -1.8902 0.3507 -0.3946 C.3 1 UNK 0.0525 8 C3 -1.6349 1.6627 0.3499 C.3 1 UNK -0.0411 9 S1 -0.1469 -2.7971 -1.3016 S.3 1 UNK -0.0016 10 C4 1.3258 -2.3035 -0.3646 C.3 1 UNK 0.2281 11 N 1.5858 -3.2865 0.6901 N.am 1 UNK -0.0001 12 C5 1.1673 -3.0923 1.9552 C.2 1 UNK 0.4793 13 O2 0.5505 -2.1391 2.3979 O.2 1 UNK -0.2045 14 S2 1.7139 -4.5332 2.8339 S.3 1 UNK 0.0905 15 C6 2.4655 -5.2812 1.4129 C.2 1 UNK 0.3283 16 N1 2.2648 -4.4565 0.4351 N.2 1 UNK 0.0463 17 O3 3.1116 -6.4723 1.3599 O.2 1 UNK -0.4649 18 C7 3.6388 -6.8686 0.0922 C.3 1 UNK 0.0969 19 C8 5.0709 -6.3490 -0.0495 C.3 1 UNK -0.0280 20 C9 3.6381 -8.3954 -0.0056 C.3 1 UNK -0.0280 21 H -1.5404 -6.3288 2.5552 H 1 UNK 0.0252 22 H1 -2.6447 -5.0492 2.9981 H 1 UNK 0.0252 23 H2 -0.9294 -4.8553 3.2682 H 1 UNK 0.0252 24 H3 -2.2599 -5.0694 0.5687 H 1 UNK 0.0561 25 H4 -0.5445 -4.8754 0.8389 H 1 UNK 0.0561 26 H5 -2.9185 0.3003 -0.6860 H 1 UNK 0.0561 27 H6 -1.2701 0.3084 -1.2656 H 1 UNK 0.0561 28 H7 -2.2550 1.7050 1.2209 H 1 UNK 0.0252 29 H8 -1.8646 2.4875 -0.2919 H 1 UNK 0.0252 30 H9 -0.6066 1.7132 0.6413 H 1 UNK 0.0252 31 H10 1.1625 -1.3423 0.0761 H 1 UNK 0.1181 32 H11 2.1679 -2.2556 -1.0230 H 1 UNK 0.1181 33 H12 3.0325 -6.4609 -0.6895 H 1 UNK 0.0728 34 H13 5.6772 -6.7567 0.7322 H 1 UNK 0.0265 35 H14 5.0713 -5.2812 0.0189 H 1 UNK 0.0265 36 H15 5.4657 -6.6458 -0.9987 H 1 UNK 0.0265 37 H16 4.2444 -8.8031 0.7761 H 1 UNK 0.0265 38 H17 4.0329 -8.6922 -0.9548 H 1 UNK 0.0265 39 H18 2.6365 -8.7587 0.0935 H 1 UNK 0.0265 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 1 6 4 9 1 7 6 7 1 8 7 8 1 9 9 10 1 10 10 11 1 11 11 16 1 12 11 12 am 13 12 13 2 14 12 14 1 15 14 15 1 16 15 16 2 17 15 17 1 18 17 18 1 19 18 19 1 20 18 20 1 21 1 21 1 22 1 22 1 23 1 23 1 24 2 24 1 25 2 25 1 26 7 26 1 27 7 27 1 28 8 28 1 29 8 29 1 30 8 30 1 31 10 31 1 32 10 32 1 33 18 33 1 34 19 34 1 35 19 35 1 36 19 36 1 37 20 37 1 38 20 38 1 39 20 39 1