@MOLECULE diethatyl-ethyl 43 43 0 0 0 SMALL GASTEIGER @ATOM 1 CL -3.2396 -1.3187 -0.2969 Cl 1 UNL1111111111 -0.1096 2 O 3.3250 -0.1538 0.7605 O.3 1 UNL1111111111 -0.4469 3 O -0.1339 -3.0105 -0.0890 O.2 1 UNL1111111111 -0.4960 4 O 2.4632 -0.9944 -1.1348 O.2 1 UNL1111111111 -0.4820 5 N -0.1164 -0.7659 0.1016 N.am 1 UNL1111111111 -0.4717 6 C -0.7976 0.4880 -0.0069 C.ar 1 UNL1111111111 0.0757 7 C -0.6644 1.2616 -1.1709 C.ar 1 UNL1111111111 0.0180 8 C -1.6234 0.9153 1.0498 C.ar 1 UNL1111111111 0.0264 9 C 0.2408 0.8789 -2.3006 C.3 1 UNL1111111111 -0.2755 10 C -1.7782 0.1317 2.3183 C.3 1 UNL1111111111 -0.2670 11 C -1.3990 2.4453 -1.2821 C.ar 1 UNL1111111111 -0.1917 12 C -2.3392 2.1048 0.9106 C.ar 1 UNL1111111111 -0.1913 13 C 1.0984 -0.8113 0.9054 C.3 1 UNL1111111111 -0.1316 14 C -2.2334 2.8627 -0.2517 C.ar 1 UNL1111111111 -0.1177 15 C -0.6523 -1.9518 -0.3734 C.2 1 UNL1111111111 0.5740 16 C 1.4580 1.8089 -2.3351 C.3 1 UNL1111111111 -0.4173 17 C -1.0458 0.8271 3.4683 C.3 1 UNL1111111111 -0.4247 18 C 2.3241 -0.6865 0.0167 C.2 1 UNL1111111111 0.5820 19 C -1.8687 -1.8686 -1.2648 C.3 1 UNL1111111111 -0.2771 20 C 4.5924 0.0002 0.1023 C.3 1 UNL1111111111 0.0161 21 C 5.4657 0.6871 1.1388 C.3 1 UNL1111111111 -0.4624 22 H -0.3026 0.9299 -3.2661 H 1 UNL1111111111 0.1471 23 H 0.5926 -0.1736 -2.2167 H 1 UNL1111111111 0.1761 24 H -2.8564 0.0226 2.5650 H 1 UNL1111111111 0.1553 25 H -1.4131 -0.9103 2.2112 H 1 UNL1111111111 0.1595 26 H -1.3133 3.0451 -2.1869 H 1 UNL1111111111 0.1591 27 H -2.9919 2.4372 1.7160 H 1 UNL1111111111 0.1580 28 H 1.0921 -0.0020 1.6762 H 1 UNL1111111111 0.1815 29 H 1.1673 -1.7886 1.4582 H 1 UNL1111111111 0.2016 30 H -2.8060 3.7834 -0.3537 H 1 UNL1111111111 0.1510 31 H 1.1677 2.8537 -2.4849 H 1 UNL1111111111 0.1404 32 H 2.1412 1.5264 -3.1448 H 1 UNL1111111111 0.1488 33 H 2.0250 1.7518 -1.3980 H 1 UNL1111111111 0.1459 34 H 0.0221 0.9495 3.2548 H 1 UNL1111111111 0.1437 35 H -1.1356 0.2533 4.3976 H 1 UNL1111111111 0.1457 36 H -1.4536 1.8274 3.6563 H 1 UNL1111111111 0.1452 37 H -2.1234 -2.8681 -1.6692 H 1 UNL1111111111 0.1926 38 H -1.7383 -1.1609 -2.1025 H 1 UNL1111111111 0.1821 39 H 4.9584 -1.0033 -0.1774 H 1 UNL1111111111 0.1339 40 H 4.4458 0.6066 -0.8088 H 1 UNL1111111111 0.1318 41 H 5.5448 0.0863 2.0548 H 1 UNL1111111111 0.1601 42 H 5.0495 1.6603 1.4308 H 1 UNL1111111111 0.1593 43 H 6.4784 0.8532 0.7555 H 1 UNL1111111111 0.1515 @BOND 1 1 19 1 2 2 18 1 3 2 20 1 4 3 15 2 5 4 18 2 6 5 6 1 7 5 13 1 8 5 15 am 9 6 7 ar 10 6 8 ar 11 7 9 1 12 7 11 ar 13 8 10 1 14 8 12 ar 15 9 16 1 16 9 22 1 17 9 23 1 18 10 17 1 19 10 24 1 20 10 25 1 21 11 14 ar 22 11 26 1 23 12 14 ar 24 12 27 1 25 13 18 1 26 13 28 1 27 13 29 1 28 14 30 1 29 15 19 1 30 16 31 1 31 16 32 1 32 16 33 1 33 17 34 1 34 17 35 1 35 17 36 1 36 19 37 1 37 19 38 1 38 20 21 1 39 20 39 1 40 20 40 1 41 21 41 1 42 21 42 1 43 21 43 1