@MOLECULE butacarb 44 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.2433 -0.0059 -0.9273 O.3 1 UNL1111111111 -0.4397 2 O 2.9081 0.0049 1.2685 O.2 1 UNL1111111111 -0.5262 3 N 4.4235 -0.0060 -0.4768 N.am 1 UNL1111111111 -0.5788 4 C -1.8820 -2.5063 0.0667 C.3 1 UNL1111111111 0.1132 5 C -1.8757 2.5097 0.0654 C.3 1 UNL1111111111 0.1134 6 C -1.0911 -1.2237 -0.1073 C.ar 1 UNL1111111111 0.0419 7 C -1.0872 1.2256 -0.1085 C.ar 1 UNL1111111111 0.0420 8 C -1.7520 0.0019 0.0259 C.ar 1 UNL1111111111 -0.2339 9 C -2.4582 -2.5337 1.4946 C.3 1 UNL1111111111 -0.4580 10 C -3.0228 -2.5303 -0.9673 C.3 1 UNL1111111111 -0.4593 11 C -1.0231 -3.7655 -0.1330 C.3 1 UNL1111111111 -0.4613 12 C -2.4480 2.5407 1.4945 C.3 1 UNL1111111111 -0.4580 13 C -3.0188 2.5347 -0.9658 C.3 1 UNL1111111111 -0.4593 14 C -1.0140 3.7665 -0.1389 C.3 1 UNL1111111111 -0.4613 15 C 0.2757 -1.2296 -0.3856 C.ar 1 UNL1111111111 -0.2471 16 C 0.2796 1.2251 -0.3866 C.ar 1 UNL1111111111 -0.2471 17 C 0.9167 -0.0034 -0.5211 C.ar 1 UNL1111111111 0.2666 18 C 3.1772 -0.0017 0.0918 C.2 1 UNL1111111111 0.7229 19 C 5.6050 -0.0029 0.3838 C.3 1 UNL1111111111 -0.2124 20 H -2.8185 0.0034 0.2474 H 1 UNL1111111111 0.1572 21 H -3.1528 -1.7067 1.6706 H 1 UNL1111111111 0.1447 22 H -3.0006 -3.4648 1.6847 H 1 UNL1111111111 0.1438 23 H -1.6585 -2.4537 2.2408 H 1 UNL1111111111 0.1546 24 H -2.6305 -2.4403 -1.9866 H 1 UNL1111111111 0.1501 25 H -3.7306 -1.7098 -0.8146 H 1 UNL1111111111 0.1446 26 H -3.5890 -3.4652 -0.9094 H 1 UNL1111111111 0.1444 27 H -0.2036 -3.8125 0.5935 H 1 UNL1111111111 0.1516 28 H -0.5909 -3.8026 -1.1389 H 1 UNL1111111111 0.1479 29 H -1.6213 -4.6738 -0.0036 H 1 UNL1111111111 0.1443 30 H -2.9896 3.4722 1.6845 H 1 UNL1111111111 0.1438 31 H -3.1423 1.7141 1.6743 H 1 UNL1111111111 0.1448 32 H -1.6462 2.4619 2.2387 H 1 UNL1111111111 0.1547 33 H -2.6289 2.4426 -1.9859 H 1 UNL1111111111 0.1501 34 H -3.5836 3.4704 -0.9081 H 1 UNL1111111111 0.1444 35 H -3.7276 1.7155 -0.8106 H 1 UNL1111111111 0.1446 36 H -0.5831 3.7993 -1.1455 H 1 UNL1111111111 0.1479 37 H -0.1936 3.8137 0.5864 H 1 UNL1111111111 0.1516 38 H -1.6102 4.6764 -0.0115 H 1 UNL1111111111 0.1443 39 H 0.8462 -2.1470 -0.4927 H 1 UNL1111111111 0.1751 40 H 0.8526 2.1408 -0.4946 H 1 UNL1111111111 0.1751 41 H 4.5530 -0.0118 -1.4731 H 1 UNL1111111111 0.3252 42 H 6.2167 -0.9046 0.2039 H 1 UNL1111111111 0.1408 43 H 5.3194 0.0041 1.4556 H 1 UNL1111111111 0.1758 44 H 6.2198 0.8945 0.1930 H 1 UNL1111111111 0.1408 @BOND 1 1 17 1 2 1 18 1 3 2 18 2 4 3 18 am 5 3 19 1 6 3 41 1 7 4 6 1 8 4 9 1 9 4 10 1 10 4 11 1 11 5 7 1 12 5 12 1 13 5 13 1 14 5 14 1 15 6 8 ar 16 6 15 ar 17 7 8 ar 18 7 16 ar 19 8 20 1 20 9 21 1 21 9 22 1 22 9 23 1 23 10 24 1 24 10 25 1 25 10 26 1 26 11 27 1 27 11 28 1 28 11 29 1 29 12 30 1 30 12 31 1 31 12 32 1 32 13 33 1 33 13 34 1 34 13 35 1 35 14 36 1 36 14 37 1 37 14 38 1 38 15 17 ar 39 15 39 1 40 16 17 ar 41 16 40 1 42 19 42 1 43 19 43 1 44 19 44 1