@MOLECULE FDBD00817 39 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.3117 2.4669 -0.1697 O.2 1 UNK -0.2756 2 N -3.6728 0.5603 0.1170 N.am 1 UNK -0.2719 3 N1 1.9691 -0.1876 0.1911 N.ar 1 UNK -0.0501 4 N2 1.8928 0.4912 1.3705 N.ar 1 UNK -0.1616 5 N3 3.5533 -0.6351 -1.5712 N.ar 1 UNK -0.1913 6 N4 6.4393 1.4665 0.1742 N.1 1 UNK -0.1905 7 C -0.3753 -1.0991 0.1551 C.ar 1 UNK 0.0508 8 C1 -2.6568 -0.3471 0.4187 C.ar 1 UNK 0.0370 9 C2 0.9620 -0.9358 -0.4427 C.ar 1 UNK 0.2486 10 C3 -1.3910 -0.1914 -0.1464 C.ar 1 UNK -0.0267 11 C4 -5.0778 0.0539 0.0323 C.3 1 UNK 0.0169 12 C5 -0.6264 -2.1626 1.0225 C.ar 1 UNK -0.0481 13 C6 -2.9074 -1.4106 1.2859 C.ar 1 UNK -0.0402 14 C7 3.2377 -0.0517 -0.3812 C.ar 1 UNK 0.3531 15 C8 -1.8922 -2.3183 1.5878 C.ar 1 UNK -0.0592 16 C9 1.2315 -1.5281 -1.6183 C.ar 1 UNK 0.0314 17 C10 -3.4265 1.9399 -0.2044 C.2 1 UNK 0.2167 18 C11 -5.3582 -0.4780 -1.3601 C.3 1 UNK -0.0489 19 C12 3.9739 0.7305 0.4789 C.ar 1 UNK 0.1673 20 C13 2.6068 -1.3189 -2.1353 C.ar 1 UNK 0.0405 21 C14 3.0995 1.0311 1.5296 C.ar 1 UNK 0.0864 22 C15 -4.5960 2.7897 -0.6461 C.3 1 UNK 0.0127 23 C16 5.3261 1.1342 0.3117 C.1 1 UNK 0.1093 24 H 1.1169 0.5658 1.9719 H 1 UNK 0.2365 25 H1 -1.2058 0.5956 -0.7878 H 1 UNK 0.0644 26 H2 -5.7555 0.8531 0.2487 H 1 UNK 0.0466 27 H3 -5.2080 -0.7367 0.7415 H 1 UNK 0.0466 28 H4 0.1245 -2.8343 1.2460 H 1 UNK 0.0626 29 H5 -3.8438 -1.5258 1.7041 H 1 UNK 0.0636 30 H6 -2.0775 -3.1051 2.2294 H 1 UNK 0.0618 31 H7 0.5306 -2.0897 -2.1266 H 1 UNK 0.0700 32 H8 -5.2297 0.3080 -2.0747 H 1 UNK 0.0245 33 H9 -6.3633 -0.8421 -1.4071 H 1 UNK 0.0245 34 H10 -4.6794 -1.2752 -1.5808 H 1 UNK 0.0245 35 H11 2.8337 -1.7642 -3.0382 H 1 UNK 0.0834 36 H12 3.3624 1.6103 2.3422 H 1 UNK 0.0878 37 H13 -4.2578 3.7845 -0.8482 H 1 UNK 0.0323 38 H14 -5.3324 2.8141 0.1298 H 1 UNK 0.0323 39 H15 -5.0257 2.3720 -1.5326 H 1 UNK 0.0323 @BOND 1 1 17 2 2 2 8 1 3 2 11 1 4 2 17 am 5 3 4 ar 6 3 9 ar 7 3 14 ar 8 4 21 ar 9 5 14 ar 10 5 20 ar 11 6 23 3 12 7 9 1 13 7 10 ar 14 7 12 ar 15 8 10 ar 16 8 13 ar 17 9 16 ar 18 11 18 1 19 12 15 ar 20 13 15 ar 21 14 19 ar 22 16 20 ar 23 17 22 1 24 19 21 ar 25 19 23 1 26 4 24 1 27 10 25 1 28 11 26 1 29 11 27 1 30 12 28 1 31 13 29 1 32 15 30 1 33 16 31 1 34 18 32 1 35 18 33 1 36 18 34 1 37 20 35 1 38 21 36 1 39 22 37 1 40 22 38 1 41 22 39 1