@MOLECULE ace-2 36 37 0 0 0 SMALL GASTEIGER Energy = 0 @ATOM 1 N1 0.0000 0.0000 0.0000 N.4 1 UNK 0.4551 2 C1 0.0000 0.0000 0.0000 C.3 1 UNK 0.2479 3 C2 0.0000 0.0000 0.0000 C.3 1 UNK 0.1009 4 C3 0.0000 0.0000 0.0000 C.ar 1 UNK -0.0156 5 C4 0.0000 0.0000 0.0000 C.ar 1 UNK -0.0040 6 C5 0.0000 0.0000 0.0000 C.ar 1 UNK -0.0003 7 C6 0.0000 0.0000 0.0000 C.ar 1 UNK -0.0000 8 C7 0.0000 0.0000 0.0000 C.ar 1 UNK -0.0003 9 C8 0.0000 0.0000 0.0000 C.ar 1 UNK -0.0040 10 C9 0.0000 0.0000 0.0000 C.2 1 UNK 0.3778 11 O1 0.0000 0.0000 0.0000 O.3 1 UNK -0.4040 12 C10 0.0000 0.0000 0.0000 C.3 1 UNK 0.4333 13 O2 0.0000 0.0000 0.0000 O.3 1 UNK -0.4081 14 C11 0.0000 0.0000 0.0000 C.2 1 UNK 0.3186 15 C12 0.0000 0.0000 0.0000 C.3 1 UNK 0.0897 16 C13 0.0000 0.0000 0.0000 C.3 1 UNK 0.0111 17 C14 0.0000 0.0000 0.0000 C.3 1 UNK 0.0111 18 C15 0.0000 0.0000 0.0000 C.3 1 UNK 0.0111 19 O3 0.0000 0.0000 0.0000 O.2 1 UNK -0.2500 20 O4 0.0000 0.0000 0.0000 O.2 1 UNK -0.2434 21 C16 0.0000 0.0000 0.0000 C.3 1 UNK 0.2270 22 C17 0.0000 0.0000 0.0000 C.3 1 UNK 0.0988 23 C18 0.0000 0.0000 0.0000 C.ar 1 UNK -0.0157 24 C19 0.0000 0.0000 0.0000 C.ar 1 UNK -0.0040 25 C20 0.0000 0.0000 0.0000 C.ar 1 UNK -0.0003 26 C21 0.0000 0.0000 0.0000 C.ar 1 UNK -0.0000 27 C22 0.0000 0.0000 0.0000 C.ar 1 UNK -0.0003 28 C23 0.0000 0.0000 0.0000 C.ar 1 UNK -0.0040 29 C24 0.0000 0.0000 0.0000 C.2 1 UNK 0.2988 30 N2 0.0000 0.0000 0.0000 N.am 1 UNK -0.2001 31 C25 0.0000 0.0000 0.0000 C.3 1 UNK 0.1212 32 C26 0.0000 0.0000 0.0000 C.3 1 UNK 0.0651 33 C27 0.0000 0.0000 0.0000 C.2 1 UNK 0.0521 34 O5 0.0000 0.0000 0.0000 O.co2 1 UNK -0.5491 35 O6 0.0000 0.0000 0.0000 O.co2 1 UNK -0.5491 36 O7 0.0000 0.0000 0.0000 O.2 1 UNK -0.2669 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 ar 5 5 6 ar 6 6 7 ar 7 7 8 ar 8 8 9 ar 9 4 9 ar 10 2 10 1 11 10 11 1 12 11 12 1 13 12 13 1 14 13 14 1 15 14 15 1 16 15 16 1 17 15 17 1 18 15 18 1 19 14 19 2 20 10 20 2 21 1 21 1 22 21 22 1 23 22 23 1 24 23 24 ar 25 24 25 ar 26 25 26 ar 27 26 27 ar 28 27 28 ar 29 23 28 ar 30 21 29 1 31 29 30 am 32 30 31 1 33 31 32 1 34 32 33 1 35 33 34 1 36 33 35 2 37 29 36 2