@MOLECULE dmaca reagent 26 26 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.4767 -0.6943 0.0051 O.2 1 UNL1111111111 -0.4430 2 N 3.3784 -0.2337 -0.2263 N.pl3 1 UNL1111111111 -0.3811 3 C 2.0078 -0.0162 -0.0671 C.ar 1 UNL1111111111 0.2579 4 C 1.0997 -1.0974 -0.0378 C.ar 1 UNL1111111111 -0.3019 5 C 1.4856 1.2980 -0.0519 C.ar 1 UNL1111111111 -0.3004 6 C -0.7840 0.4335 -0.0004 C.ar 1 UNL1111111111 -0.1433 7 C -0.2664 -0.8674 -0.0109 C.ar 1 UNL1111111111 -0.0395 8 C 0.1178 1.5082 -0.0239 C.ar 1 UNL1111111111 -0.0544 9 C 3.9011 -1.5647 0.1193 C.3 1 UNL1111111111 -0.2520 10 C 4.2883 0.8605 0.1477 C.3 1 UNL1111111111 -0.2520 11 C -2.2108 0.7062 0.0452 C.2 1 UNL1111111111 -0.0302 12 C -3.1786 -0.2228 -0.0151 C.2 1 UNL1111111111 -0.3364 13 C -4.6023 0.1411 0.0457 C.2 1 UNL1111111111 0.3436 14 H 1.4594 -2.1216 -0.0432 H 1 UNL1111111111 0.1621 15 H 2.1506 2.1555 -0.0719 H 1 UNL1111111111 0.1604 16 H -0.9482 -1.7212 0.0091 H 1 UNL1111111111 0.1560 17 H -0.2623 2.5314 -0.0177 H 1 UNL1111111111 0.1475 18 H 3.4640 -2.3178 -0.5629 H 1 UNL1111111111 0.1568 19 H 4.9928 -1.5991 -0.0349 H 1 UNL1111111111 0.1496 20 H 3.6873 -1.8583 1.1602 H 1 UNL1111111111 0.1366 21 H 4.1320 1.7151 -0.5369 H 1 UNL1111111111 0.1554 22 H 4.1491 1.2041 1.1858 H 1 UNL1111111111 0.1364 23 H 5.3383 0.5471 0.0236 H 1 UNL1111111111 0.1500 24 H -2.4732 1.7682 0.1373 H 1 UNL1111111111 0.1429 25 H -2.9795 -1.2886 -0.1127 H 1 UNL1111111111 0.1775 26 H -4.8645 1.2047 0.1315 H 1 UNL1111111111 0.1016 @BOND 1 1 13 2 2 2 3 1 3 2 9 1 4 2 10 1 5 3 4 ar 6 3 5 ar 7 4 7 ar 8 4 14 1 9 5 8 ar 10 5 15 1 11 6 7 ar 12 6 8 ar 13 6 11 1 14 7 16 1 15 8 17 1 16 9 18 1 17 9 19 1 18 9 20 1 19 10 21 1 20 10 22 1 21 10 23 1 22 11 12 2 23 11 24 1 24 12 13 1 25 12 25 1 26 13 26 1