@MOLECULE bromopropylate 38 39 0 0 0 SMALL GASTEIGER @ATOM 1 BR -5.3968 -1.4928 0.5100 Br 1 UNL1111111 -0.0595 2 BR 4.9287 -2.1032 0.4335 Br 1 UNL1111111 -0.0659 3 O 0.5230 2.5395 0.5830 O.3 1 UNL1111111 -0.4376 4 O -0.0748 1.1815 -2.6206 O.3 1 UNL1111111 -0.5309 5 O -0.1510 3.5370 -1.3259 O.2 1 UNL1111111 -0.5020 6 C -0.0743 1.1093 -1.2104 C.3 1 UNL1111111 0.2200 7 C -1.3760 0.4956 -0.7540 C.ar 1 UNL1111111 -0.0719 8 C 1.1291 0.2857 -0.8216 C.ar 1 UNL1111111 -0.0481 9 C 0.0892 2.5478 -0.6838 C.2 1 UNL1111111 0.5545 10 C 0.8458 3.8099 1.1976 C.3 1 UNL1111111 0.1904 11 C -1.9539 0.8172 0.4739 C.ar 1 UNL1111111 -0.1406 12 C 2.1237 0.0208 -1.7631 C.ar 1 UNL1111111 -0.1000 13 C -1.9906 -0.4307 -1.5999 C.ar 1 UNL1111111 -0.0967 14 C 1.2574 -0.1793 0.4894 C.ar 1 UNL1111111 -0.1138 15 C -3.1548 0.2228 0.8576 C.ar 1 UNL1111111 -0.1548 16 C 3.2587 -0.7007 -1.3945 C.ar 1 UNL1111111 -0.1685 17 C -3.1919 -1.0294 -1.2268 C.ar 1 UNL1111111 -0.1617 18 C 2.3883 -0.8978 0.8676 C.ar 1 UNL1111111 -0.1658 19 C 0.8205 3.4759 2.6840 C.3 1 UNL1111111 -0.4761 20 C 2.2215 4.2282 0.7022 C.3 1 UNL1111111 -0.4961 21 C -3.7547 -0.6888 -0.0028 C.ar 1 UNL1111111 -0.0067 22 C 3.3721 -1.1413 -0.0827 C.ar 1 UNL1111111 -0.0026 23 H 0.0584 4.5440 0.9158 H 1 UNL1111111 0.1387 24 H -1.4766 1.5335 1.1460 H 1 UNL1111111 0.1706 25 H 2.0175 0.3786 -2.7912 H 1 UNL1111111 0.1827 26 H -1.5240 -0.6857 -2.5563 H 1 UNL1111111 0.1806 27 H 0.4789 0.0310 1.2250 H 1 UNL1111111 0.1676 28 H -0.5648 1.9834 -2.9302 H 1 UNL1111111 0.3460 29 H -3.6026 0.4790 1.8173 H 1 UNL1111111 0.1686 30 H 4.0330 -0.9037 -2.1338 H 1 UNL1111111 0.1698 31 H -3.6675 -1.7498 -1.8921 H 1 UNL1111111 0.1706 32 H 2.4847 -1.2538 1.8924 H 1 UNL1111111 0.1695 33 H 1.1075 4.3443 3.2872 H 1 UNL1111111 0.1564 34 H -0.1771 3.1546 3.0072 H 1 UNL1111111 0.1568 35 H 1.5164 2.6595 2.9226 H 1 UNL1111111 0.1659 36 H 2.5766 5.1293 1.2137 H 1 UNL1111111 0.1575 37 H 2.2061 4.4444 -0.3757 H 1 UNL1111111 0.1686 38 H 2.9652 3.4367 0.8632 H 1 UNL1111111 0.1645 @BOND 1 1 21 1 2 2 22 1 3 3 9 1 4 3 10 1 5 4 6 1 6 4 28 1 7 5 9 2 8 6 7 1 9 6 8 1 10 6 9 1 11 7 11 ar 12 7 13 ar 13 8 12 ar 14 8 14 ar 15 10 19 1 16 10 20 1 17 10 23 1 18 11 15 ar 19 11 24 1 20 12 16 ar 21 12 25 1 22 13 17 ar 23 13 26 1 24 14 18 ar 25 14 27 1 26 15 21 ar 27 15 29 1 28 16 22 ar 29 16 30 1 30 17 21 ar 31 17 31 1 32 18 22 ar 33 18 32 1 34 19 33 1 35 19 34 1 36 19 35 1 37 20 36 1 38 20 37 1 39 20 38 1