@MOLECULE FDBD00084 52 53 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.7506 0.1789 0.0513 O.3 1 UNK -0.3792 2 O1 2.3292 1.6517 0.3725 O.3 1 UNK -0.4892 3 O2 4.9845 1.1348 1.0158 O.3 1 UNK -0.3831 4 N 2.9386 -1.8105 0.0938 N.4 1 UNK 0.2307 5 C -4.2498 -1.9439 0.9992 C.3 1 UNK -0.0175 6 C1 -3.7819 -3.3515 0.7947 C.3 1 UNK -0.0478 7 C2 -2.8708 -2.3405 1.4269 C.3 1 UNK -0.0478 8 C3 -4.4116 -1.0562 -0.1867 C.3 1 UNK 0.0505 9 C4 -3.8784 1.0607 -1.0568 C.3 1 UNK 0.0516 10 C5 -3.1518 2.3745 -0.7531 C.3 1 UNK -0.0041 11 C6 -1.7032 2.1832 -0.4557 C.ar 1 UNK -0.0450 12 C7 3.9843 0.1329 1.2209 C.3 1 UNK 0.1285 13 C8 3.9597 -0.7769 -0.0097 C.3 1 UNK -0.0035 14 C9 2.8987 -2.6258 -1.1127 C.3 1 UNK -0.0283 15 C10 2.6497 0.8255 1.4876 C.3 1 UNK 0.1204 16 C11 -0.7679 2.2224 -1.4899 C.ar 1 UNK -0.0550 17 C12 -1.2835 1.9654 0.8564 C.ar 1 UNK -0.0550 18 C13 0.9991 1.8269 0.0989 C.ar 1 UNK 0.1206 19 C14 1.8550 -3.7258 -0.9478 C.3 1 UNK -0.0219 20 C15 2.5916 -1.7565 -2.3288 C.3 1 UNK -0.0219 21 C16 0.5873 2.0436 -1.2118 C.ar 1 UNK -0.0197 22 C17 0.0716 1.7868 1.1346 C.ar 1 UNK -0.0197 23 H 5.8389 0.7085 0.8450 H 1 UNK 0.2102 24 H1 2.0291 -1.3689 0.2284 H 1 UNK 0.2017 25 H2 3.1637 -2.4123 0.8860 H 1 UNK 0.2017 26 H3 -5.0895 -1.4892 1.4820 H 1 UNK 0.0323 27 H4 -3.5800 -3.7102 -0.1929 H 1 UNK 0.0269 28 H5 -4.1475 -4.3185 1.0709 H 1 UNK 0.0269 29 H6 -2.6329 -2.4114 2.4677 H 1 UNK 0.0269 30 H7 -1.8832 -1.9812 1.2259 H 1 UNK 0.0269 31 H8 -3.9851 -1.5289 -1.0467 H 1 UNK 0.0562 32 H9 -5.4524 -0.8761 -0.3575 H 1 UNK 0.0562 33 H10 -4.9143 1.2597 -1.2361 H 1 UNK 0.0563 34 H11 -3.4459 0.6072 -1.9241 H 1 UNK 0.0563 35 H12 -3.6164 2.8331 0.0947 H 1 UNK 0.0335 36 H13 -3.2211 2.9882 -1.6268 H 1 UNK 0.0335 37 H14 4.1942 -0.4825 2.0707 H 1 UNK 0.0681 38 H15 3.7607 -0.1807 -0.8757 H 1 UNK 0.0841 39 H16 4.9117 -1.2600 -0.0816 H 1 UNK 0.0841 40 H17 3.8547 -3.0805 -1.2681 H 1 UNK 0.0845 41 H18 1.8839 0.0904 1.6222 H 1 UNK 0.0725 42 H19 2.7208 1.4221 2.3730 H 1 UNK 0.0725 43 H20 -1.0785 2.3837 -2.4607 H 1 UNK 0.0621 44 H21 -1.9755 1.9364 1.6214 H 1 UNK 0.0621 45 H22 0.8930 -3.2842 -0.7915 H 1 UNK 0.0284 46 H23 2.1089 -4.3350 -0.1056 H 1 UNK 0.0284 47 H24 1.8309 -4.3299 -1.8306 H 1 UNK 0.0284 48 H25 1.6383 -1.2878 -2.2006 H 1 UNK 0.0284 49 H26 2.5739 -2.3663 -3.2078 H 1 UNK 0.0284 50 H27 3.3473 -1.0059 -2.4306 H 1 UNK 0.0284 51 H28 1.2812 2.0720 -1.9751 H 1 UNK 0.0654 52 H29 0.3846 1.6256 2.1047 H 1 UNK 0.0654 @BOND 1 1 8 1 2 1 9 1 3 2 15 1 4 2 18 1 5 3 12 1 6 4 13 1 7 4 14 1 8 5 6 1 9 5 7 1 10 5 8 1 11 6 7 1 12 9 10 1 13 10 11 1 14 11 16 ar 15 11 17 ar 16 12 13 1 17 12 15 1 18 14 19 1 19 14 20 1 20 16 21 ar 21 17 22 ar 22 18 21 ar 23 18 22 ar 24 3 23 1 25 4 24 1 26 4 25 1 27 5 26 1 28 6 27 1 29 6 28 1 30 7 29 1 31 7 30 1 32 8 31 1 33 8 32 1 34 9 33 1 35 9 34 1 36 10 35 1 37 10 36 1 38 12 37 1 39 13 38 1 40 13 39 1 41 14 40 1 42 15 41 1 43 15 42 1 44 16 43 1 45 17 44 1 46 19 45 1 47 19 46 1 48 19 47 1 49 20 48 1 50 20 49 1 51 20 50 1 52 21 51 1 53 22 52 1