@MOLECULE FDBD01814 39 39 0 0 0 SMALL GASTEIGER @ATOM 1 I -0.4552 -1.9682 1.6214 I 1 UNK -0.0416 2 I1 3.2966 2.6318 0.1645 I 1 UNK -0.0435 3 I2 -2.5787 3.3879 -0.4520 I 1 UNK -0.0418 4 O 3.1038 0.3011 -1.8618 O.co2 1 UNK -0.5495 5 O1 4.9853 -0.1457 -0.6761 O.co2 1 UNK -0.5495 6 O2 -2.9167 -0.6331 -1.4461 O.2 1 UNK -0.2755 7 N -2.5287 0.3206 0.6673 N.am 1 UNK -0.2838 8 C 2.8898 -1.1736 0.0186 C.3 1 UNK 0.0024 9 C1 2.3373 -0.3447 1.1929 C.3 1 UNK -0.0177 10 C2 3.6889 -2.3791 0.5471 C.3 1 UNK -0.0477 11 C3 1.1554 0.5146 0.8113 C.ar 1 UNK -0.0187 12 C4 -0.1352 0.0111 0.9193 C.ar 1 UNK 0.0397 13 C5 3.7819 -0.2946 -0.8479 C.2 1 UNK 0.0451 14 C6 4.2917 -3.2201 -0.5714 C.3 1 UNK -0.0647 15 C7 1.3776 1.8077 0.3533 C.ar 1 UNK 0.0186 16 C8 -1.2200 0.8128 0.5643 C.ar 1 UNK 0.0602 17 C9 0.2929 2.6095 -0.0017 C.ar 1 UNK -0.0334 18 C10 -1.0060 2.1119 0.1038 C.ar 1 UNK 0.0366 19 C11 -4.6576 -0.7186 0.2202 C.3 1 UNK 0.0240 20 C12 -3.2729 -0.3592 -0.3049 C.2 1 UNK 0.2172 21 C13 -5.5279 -1.4640 -0.7892 C.3 1 UNK -0.0476 22 C14 -6.9025 -1.8081 -0.2328 C.3 1 UNK -0.0648 23 H -2.9800 0.4714 1.5291 H 1 UNK 0.1549 24 H1 2.0731 -1.5377 -0.5691 H 1 UNK 0.0363 25 H2 3.1170 0.2916 1.5564 H 1 UNK 0.0320 26 H3 2.0009 -1.0347 1.9383 H 1 UNK 0.0320 27 H4 3.0341 -2.9970 1.1253 H 1 UNK 0.0269 28 H5 4.4965 -1.9984 1.1368 H 1 UNK 0.0269 29 H6 3.5074 -3.6169 -1.1816 H 1 UNK 0.0230 30 H7 4.8561 -4.0246 -0.1482 H 1 UNK 0.0230 31 H8 4.9349 -2.6093 -1.1698 H 1 UNK 0.0230 32 H9 0.4513 3.5707 -0.3423 H 1 UNK 0.0639 33 H10 -5.1592 0.1859 0.4944 H 1 UNK 0.0358 34 H11 -4.5134 -1.3766 1.0516 H 1 UNK 0.0358 35 H12 -5.0326 -2.3714 -1.0651 H 1 UNK 0.0267 36 H13 -5.6704 -0.8211 -1.6325 H 1 UNK 0.0267 37 H14 -6.7933 -2.4523 0.6146 H 1 UNK 0.0230 38 H15 -7.4782 -2.3042 -0.9860 H 1 UNK 0.0230 39 H16 -7.4022 -0.9097 0.0641 H 1 UNK 0.0230 @BOND 1 1 12 1 2 2 15 1 3 3 18 1 4 4 13 ar 5 5 13 ar 6 6 20 2 7 7 16 1 8 7 20 am 9 8 9 1 10 8 10 1 11 8 13 1 12 9 11 1 13 10 14 1 14 11 12 ar 15 11 15 ar 16 12 16 ar 17 15 17 ar 18 16 18 ar 19 17 18 ar 20 19 20 1 21 19 21 1 22 21 22 1 23 7 23 1 24 8 24 1 25 9 25 1 26 9 26 1 27 10 27 1 28 10 28 1 29 14 29 1 30 14 30 1 31 14 31 1 32 17 32 1 33 19 33 1 34 19 34 1 35 21 35 1 36 21 36 1 37 22 37 1 38 22 38 1 39 22 39 1