@MOLECULE FDBD02154 44 44 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0488 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK 0.0197 3 N 0.6878 -0.4765 -1.2033 N.am 1 UNK -0.2407 4 C2 2.0195 -0.6832 -1.1838 C.2 1 UNK 0.2188 5 O 2.5871 -1.0743 -2.1815 O.2 1 UNK -0.2755 6 C3 2.8031 -0.4283 0.0780 C.3 1 UNK 0.0128 7 C4 -0.0346 -0.7115 -2.3665 C.ar 1 UNK 0.2275 8 N1 0.6008 -1.1434 -3.4448 N.ar 1 UNK -0.2191 9 C5 -0.0541 -1.3784 -4.5716 C.ar 1 UNK 0.0469 10 C6 0.6810 -1.8703 -5.7917 C.3 1 UNK -0.0221 11 C7 -1.4197 -1.1678 -4.6158 C.ar 1 UNK 0.0215 12 C8 -2.0600 -0.7129 -3.4642 C.ar 1 UNK 0.2268 13 N2 -1.3419 -0.5031 -2.3674 N.ar 1 UNK -0.1787 14 O1 -3.3971 -0.4926 -3.4627 O.3 1 UNK -0.4079 15 P -4.2717 -1.7764 -3.0398 P.3 1 UNK 0.3625 16 S -3.6271 -3.2855 -3.9229 S.2 1 UNK 0.0363 17 O2 -4.1641 -1.9987 -1.4488 O.3 1 UNK -0.3020 18 C9 -4.5592 -3.2112 -0.8039 C.3 1 UNK 0.0548 19 C10 -4.3261 -3.0865 0.7031 C.3 1 UNK -0.0410 20 O3 -5.8110 -1.5342 -3.4449 O.3 1 UNK -0.3020 21 C11 -6.7778 -2.5854 -3.4929 C.3 1 UNK 0.0548 22 C12 -8.1335 -2.0126 -3.9113 C.3 1 UNK -0.0410 23 H -0.5195 1.8709 0.8907 H 1 UNK 0.0245 24 H1 -0.5362 1.8802 -0.8565 H 1 UNK 0.0245 25 H2 0.9851 1.8962 0.0028 H 1 UNK 0.0245 26 H3 -1.0017 -0.3745 0.0096 H 1 UNK 0.0467 27 H4 0.5196 -0.3585 0.8689 H 1 UNK 0.0467 28 H5 2.1404 -0.0908 0.8473 H 1 UNK 0.0323 29 H6 3.5446 0.3204 -0.1078 H 1 UNK 0.0323 30 H7 3.2806 -1.3335 0.3903 H 1 UNK 0.0323 31 H8 1.7216 -1.9718 -5.5643 H 1 UNK 0.0293 32 H9 0.5571 -1.1685 -6.5898 H 1 UNK 0.0293 33 H10 0.2862 -2.8199 -6.0873 H 1 UNK 0.0293 34 H11 -1.9530 -1.3434 -5.4817 H 1 UNK 0.0689 35 H12 -3.9801 -4.0247 -1.1883 H 1 UNK 0.0562 36 H13 -5.5970 -3.3927 -0.9905 H 1 UNK 0.0562 37 H14 -3.2882 -2.9050 0.8897 H 1 UNK 0.0252 38 H15 -4.6218 -3.9943 1.1861 H 1 UNK 0.0252 39 H16 -4.9052 -2.2730 1.0875 H 1 UNK 0.0252 40 H17 -6.8638 -3.0354 -2.5259 H 1 UNK 0.0562 41 H18 -6.4677 -3.3231 -4.2032 H 1 UNK 0.0562 42 H19 -8.4436 -1.2749 -3.2010 H 1 UNK 0.0252 43 H20 -8.8575 -2.7997 -3.9472 H 1 UNK 0.0252 44 H21 -8.0475 -1.5627 -4.8783 H 1 UNK 0.0252 @BOND 1 1 2 1 2 2 3 1 3 3 4 am 4 3 7 1 5 4 5 2 6 4 6 1 7 7 13 ar 8 7 8 ar 9 8 9 ar 10 9 10 1 11 9 11 ar 12 11 12 ar 13 12 13 ar 14 12 14 1 15 14 15 1 16 15 16 2 17 15 17 1 18 15 20 1 19 17 18 1 20 18 19 1 21 20 21 1 22 21 22 1 23 1 23 1 24 1 24 1 25 1 25 1 26 2 26 1 27 2 27 1 28 6 28 1 29 6 29 1 30 6 30 1 31 10 31 1 32 10 32 1 33 10 33 1 34 11 34 1 35 18 35 1 36 18 36 1 37 19 37 1 38 19 38 1 39 19 39 1 40 21 40 1 41 21 41 1 42 22 42 1 43 22 43 1 44 22 44 1