@MOLECULE FDBD00585 38 38 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.2193 -0.1098 -0.1047 O.3 1 UNK -0.4558 2 O1 0.5638 -2.1379 -0.8613 O.2 1 UNK -0.2450 3 N -3.8926 0.1941 -0.0787 N.4 1 UNK 0.2372 4 N1 5.8920 1.1504 0.4932 N.pl3 1 UNK -0.3580 5 C -2.4971 0.5861 0.1162 C.3 1 UNK 0.0032 6 C1 -4.7871 1.2948 0.2776 C.3 1 UNK -0.0347 7 C2 -4.2049 -0.9951 0.7131 C.3 1 UNK -0.0347 8 C3 -1.5611 -0.5395 -0.2940 C.3 1 UNK 0.1323 9 C4 -4.4769 2.5398 -0.5361 C.3 1 UNK -0.0245 10 C5 -5.6339 -1.4530 0.4759 C.3 1 UNK -0.0245 11 C6 0.7488 -1.0108 -0.4289 C.2 1 UNK 0.3394 12 C7 2.0990 -0.4432 -0.1854 C.ar 1 UNK 0.0591 13 C8 3.1286 -1.2953 0.1579 C.ar 1 UNK -0.0460 14 C9 2.2828 0.9187 -0.3113 C.ar 1 UNK -0.0460 15 C10 4.6089 0.6112 0.2646 C.ar 1 UNK 0.0246 16 C11 4.3975 -0.7621 0.3856 C.ar 1 UNK -0.0403 17 C12 3.5516 1.4516 -0.0838 C.ar 1 UNK -0.0403 18 H -4.0310 -0.0286 -1.0644 H 1 UNK 0.2034 19 H1 6.6385 0.5575 0.7391 H 1 UNK 0.1423 20 H2 6.0412 2.1197 0.4068 H 1 UNK 0.1423 21 H3 -2.3379 0.8167 1.1488 H 1 UNK 0.0848 22 H4 -2.2921 1.4429 -0.4911 H 1 UNK 0.0848 23 H5 -4.6683 1.5186 1.3172 H 1 UNK 0.0812 24 H6 -5.7929 0.9953 0.0689 H 1 UNK 0.0812 25 H7 -4.0793 -0.7664 1.7508 H 1 UNK 0.0812 26 H8 -3.5432 -1.7824 0.4177 H 1 UNK 0.0812 27 H9 -1.7509 -1.4030 0.3087 H 1 UNK 0.0752 28 H10 -1.7216 -0.7902 -1.3218 H 1 UNK 0.0752 29 H11 -3.4731 2.8536 -0.3392 H 1 UNK 0.0281 30 H12 -5.1549 3.3217 -0.2642 H 1 UNK 0.0281 31 H13 -4.5843 2.3209 -1.5779 H 1 UNK 0.0281 32 H14 -6.3102 -0.6764 0.7665 H 1 UNK 0.0281 33 H15 -5.8282 -2.3307 1.0562 H 1 UNK 0.0281 34 H16 -5.7698 -1.6744 -0.5621 H 1 UNK 0.0281 35 H17 2.9627 -2.3102 0.2448 H 1 UNK 0.0626 36 H18 1.4946 1.5327 -0.5695 H 1 UNK 0.0626 37 H19 5.1798 -1.3838 0.6436 H 1 UNK 0.0636 38 H20 3.7081 2.4677 -0.1733 H 1 UNK 0.0636 @BOND 1 1 8 1 2 1 11 1 3 2 11 2 4 3 5 1 5 3 6 1 6 3 7 1 7 4 15 1 8 5 8 1 9 6 9 1 10 7 10 1 11 11 12 1 12 12 13 ar 13 12 14 ar 14 13 16 ar 15 14 17 ar 16 15 16 ar 17 15 17 ar 18 3 18 1 19 4 19 1 20 4 20 1 21 5 21 1 22 5 22 1 23 6 23 1 24 6 24 1 25 7 25 1 26 7 26 1 27 8 27 1 28 8 28 1 29 9 29 1 30 9 30 1 31 9 31 1 32 10 32 1 33 10 33 1 34 10 34 1 35 13 35 1 36 14 36 1 37 16 37 1 38 17 38 1