@MOLECULE ceratinamine 35 35 0 0 0 SMALL GASTEIGER @ATOM 1 BR -1.8395 0.8112 1.7725 Br 1 UNL1111111111 -0.0038 2 BR 3.4594 0.7729 -0.3315 Br 1 UNL1111111111 -0.0165 3 O 0.7173 1.9530 0.6624 O.3 1 UNL1111111111 -0.3246 4 O -3.7778 1.0495 -1.9790 O.2 1 UNL1111111111 -0.4512 5 N -1.5137 0.8529 -1.7937 N.am 1 UNL1111111111 -0.5674 6 N 0.0643 -5.6356 -0.8816 N.3 1 UNL1111111111 -0.6379 7 N -3.0073 -2.0670 -0.8157 N.1 1 UNL1111111111 -0.1761 8 C -0.6956 3.0548 -0.9658 C.3 1 UNL1111111111 -0.3467 9 C 0.7548 -2.2087 0.6340 C.ar 1 UNL1111111111 0.0128 10 C 0.7291 -3.7004 0.5996 C.3 1 UNL1111111111 -0.3375 11 C 0.7283 2.6522 -0.5877 C.3 1 UNL1111111111 -0.0388 12 C -1.2613 2.2541 -2.1489 C.3 1 UNL1111111111 -0.0632 13 C 0.7509 0.5929 0.5912 C.ar 1 UNL1111111111 0.1662 14 C -0.3510 -1.5043 1.1182 C.ar 1 UNL1111111111 -0.1504 15 C 1.8772 -1.5127 0.1766 C.ar 1 UNL1111111111 -0.1503 16 C 0.0968 -4.1745 -0.7353 C.3 1 UNL1111111111 -0.0846 17 C -0.3454 -0.1170 1.0917 C.ar 1 UNL1111111111 -0.0997 18 C 1.8751 -0.1238 0.1742 C.ar 1 UNL1111111111 -0.1013 19 C -2.8044 0.3954 -1.6764 C.2 1 UNL1111111111 0.5916 20 C -2.9049 -0.9840 -1.2004 C.1 1 UNL1111111111 0.0229 21 H -1.3608 2.9642 -0.0811 H 1 UNL1111111111 0.1874 22 H -0.7246 4.1343 -1.2178 H 1 UNL1111111111 0.1601 23 H 0.1520 -4.1091 1.4535 H 1 UNL1111111111 0.1592 24 H 1.7471 -4.1229 0.7070 H 1 UNL1111111111 0.1528 25 H 1.2263 2.0858 -1.3880 H 1 UNL1111111111 0.1327 26 H 1.3519 3.5323 -0.3272 H 1 UNL1111111111 0.1535 27 H -0.5566 2.2724 -3.0127 H 1 UNL1111111111 0.1440 28 H -2.2112 2.7271 -2.5052 H 1 UNL1111111111 0.1759 29 H -1.2128 -2.0571 1.5067 H 1 UNL1111111111 0.1914 30 H 2.7516 -2.0712 -0.1658 H 1 UNL1111111111 0.1794 31 H 0.6625 -3.7523 -1.5949 H 1 UNL1111111111 0.1433 32 H -0.9466 -3.7896 -0.8216 H 1 UNL1111111111 0.1621 33 H -0.7276 0.3220 -1.4471 H 1 UNL1111111111 0.3183 34 H 0.9759 -6.0515 -0.8047 H 1 UNL1111111111 0.2457 35 H -0.5565 -6.0729 -0.2218 H 1 UNL1111111111 0.2506 @BOND 1 1 17 1 2 2 18 1 3 3 11 1 4 3 13 1 5 4 19 2 6 5 12 1 7 5 19 am 8 5 33 1 9 6 16 1 10 6 34 1 11 6 35 1 12 7 20 3 13 8 11 1 14 8 12 1 15 8 21 1 16 8 22 1 17 9 10 1 18 9 14 ar 19 9 15 ar 20 10 16 1 21 10 23 1 22 10 24 1 23 11 25 1 24 11 26 1 25 12 27 1 26 12 28 1 27 13 17 ar 28 13 18 ar 29 14 17 ar 30 14 29 1 31 15 18 ar 32 15 30 1 33 16 31 1 34 16 32 1 35 19 20 1