@MOLECULE FDBD03098 41 41 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.2192 1.4233 0.0611 C.3 1 UNK -0.0647 2 C1 -0.1960 -0.1063 0.0877 C.3 1 UNK -0.0492 3 C2 0.6023 -0.5832 1.3027 C.3 1 UNK -0.0153 4 C3 0.5213 -2.1080 1.3996 C.3 1 UNK -0.0583 5 C4 2.0424 -0.1652 1.1531 C.ar 1 UNK 0.0023 6 C5 2.7806 -0.6031 0.0705 C.ar 1 UNK -0.0244 7 C6 4.1019 -0.2204 -0.0671 C.ar 1 UNK 0.1289 8 C7 4.6881 0.6018 0.8779 C.ar 1 UNK 0.0024 9 C8 3.9545 1.0424 1.9620 C.ar 1 UNK 0.1707 10 C9 2.6264 0.6643 2.0993 C.ar 1 UNK 0.1655 11 O 1.9022 1.0968 3.1650 O.3 1 UNK -0.4201 12 C10 1.2359 2.2599 3.0207 C.2 1 UNK 0.3372 13 O1 1.2999 2.8709 1.9719 O.2 1 UNK -0.2452 14 C11 0.4323 2.7888 4.1313 C.2 1 UNK 0.0216 15 C12 -0.1280 3.9921 4.0332 C.2 1 UNK -0.0690 16 C13 0.1916 4.8784 2.8571 C.3 1 UNK -0.0435 17 C14 -1.0820 4.4681 5.0983 C.3 1 UNK -0.0435 18 N 4.5827 1.9216 2.9736 N.pl3 1 UNK 0.0601 19 O2 5.7472 2.2569 2.8501 O.2 1 UNK -0.1260 20 O3 3.9353 2.3098 3.9294 O.2 1 UNK -0.1260 21 N1 4.8908 -0.6918 -1.2274 N.pl3 1 UNK 0.0565 22 O4 4.3757 -1.4163 -2.0601 O.2 1 UNK -0.1261 23 O5 6.0550 -0.3553 -1.3496 O.2 1 UNK -0.1261 24 H -0.7775 1.7568 -0.7886 H 1 UNK 0.0230 25 H1 0.7825 1.7942 -0.0023 H 1 UNK 0.0230 26 H2 -0.6788 1.7886 0.9556 H 1 UNK 0.0230 27 H3 0.2636 -0.4716 -0.8068 H 1 UNK 0.0268 28 H4 -1.1977 -0.4772 0.1511 H 1 UNK 0.0268 29 H5 0.1947 -0.1472 2.1908 H 1 UNK 0.0347 30 H6 0.9289 -2.5440 0.5115 H 1 UNK 0.0236 31 H7 -0.5012 -2.4048 1.5058 H 1 UNK 0.0236 32 H8 1.0796 -2.4416 2.2493 H 1 UNK 0.0236 33 H9 2.3453 -1.2165 -0.6361 H 1 UNK 0.0644 34 H10 5.6745 0.8864 0.7729 H 1 UNK 0.0664 35 H11 0.3023 2.2273 4.9874 H 1 UNK 0.0688 36 H12 0.8811 4.3776 2.2101 H 1 UNK 0.0274 37 H13 0.6283 5.7907 3.2063 H 1 UNK 0.0274 38 H14 -0.7077 5.0963 2.3199 H 1 UNK 0.0274 39 H15 -1.1861 3.7116 5.8478 H 1 UNK 0.0274 40 H16 -2.0367 4.6681 4.6585 H 1 UNK 0.0274 41 H17 -0.7006 5.3625 5.5448 H 1 UNK 0.0274 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 5 10 ar 6 5 6 ar 7 6 7 ar 8 7 8 ar 9 7 21 1 10 8 9 ar 11 9 10 ar 12 9 18 1 13 10 11 1 14 11 12 1 15 12 13 2 16 12 14 1 17 14 15 2 18 15 16 1 19 15 17 1 20 18 19 2 21 18 20 2 22 21 22 2 23 21 23 2 24 1 24 1 25 1 25 1 26 1 26 1 27 2 27 1 28 2 28 1 29 3 29 1 30 4 30 1 31 4 31 1 32 4 32 1 33 6 33 1 34 8 34 1 35 14 35 1 36 16 36 1 37 16 37 1 38 16 38 1 39 17 39 1 40 17 40 1 41 17 41 1