@MOLECULE cafaminol 36 37 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.5654 -2.6584 -0.0508 O.2 1 UNL1 -0.5045 2 O -4.1867 1.0648 0.3160 O.2 1 UNL1 -0.5082 3 O 4.3853 -0.8995 1.1422 O.3 1 UNL1 -0.5529 4 N 0.8413 -0.7241 -0.3634 N.ar 1 UNL1 -0.2200 5 N 2.7677 0.8490 -0.7390 N.pl3 1 UNL1 -0.3639 6 N -1.9554 1.4374 0.0366 N.ar 1 UNL1 -0.4097 7 N 0.4881 1.5284 -0.3337 N.ar 1 UNL1 -0.4546 8 N -2.8636 -0.7954 0.1466 N.ar 1 UNL1 -0.5225 9 C -0.5294 -0.5237 -0.1866 C.ar 1 UNL1 -0.2920 10 C -0.7135 0.8816 -0.1548 C.ar 1 UNL1 0.3161 11 C 1.4256 0.5350 -0.4867 C.ar 1 UNL1 0.3894 12 C -1.6185 -1.4481 -0.0384 C.ar 1 UNL1 0.6378 13 C 3.5011 1.2653 0.4706 C.3 1 UNL1 -0.1427 14 C -3.0768 0.5960 0.1708 C.ar 1 UNL1 0.7020 15 C 1.4443 -2.0371 -0.4726 C.3 1 UNL1 -0.2553 16 C 3.5008 -0.0743 -1.6184 C.3 1 UNL1 -0.2633 17 C -2.1203 2.8929 0.0095 C.3 1 UNL1 -0.2040 18 C 3.6056 0.1959 1.5715 C.3 1 UNL1 -0.0423 19 C -4.0754 -1.6169 0.2993 C.3 1 UNL1 -0.2093 20 H 2.9804 2.1711 0.8739 H 1 UNL1 0.1758 21 H 4.5124 1.6021 0.1536 H 1 UNL1 0.1520 22 H 2.3830 -2.0879 0.1153 H 1 UNL1 0.1744 23 H 0.7534 -2.8155 -0.0752 H 1 UNL1 0.1996 24 H 1.6575 -2.2970 -1.5255 H 1 UNL1 0.1586 25 H 4.3661 0.4749 -2.0345 H 1 UNL1 0.1544 26 H 2.8659 -0.3657 -2.4731 H 1 UNL1 0.1557 27 H 3.8765 -0.9818 -1.1175 H 1 UNL1 0.1496 28 H -1.4895 3.3580 0.7905 H 1 UNL1 0.1591 29 H -3.1763 3.1694 0.1892 H 1 UNL1 0.1746 30 H -1.8050 3.2967 -0.9713 H 1 UNL1 0.1592 31 H 2.6273 -0.2720 1.7997 H 1 UNL1 0.1591 32 H 4.0284 0.6127 2.5021 H 1 UNL1 0.1250 33 H -3.8090 -2.6873 0.3859 H 1 UNL1 0.1753 34 H -4.7402 -1.4871 -0.5735 H 1 UNL1 0.1542 35 H -4.6317 -1.3163 1.2061 H 1 UNL1 0.1586 36 H 5.3189 -0.6400 1.0197 H 1 UNL1 0.3148 @BOND 1 26 16 1 2 25 16 1 3 16 27 1 4 16 5 1 5 24 15 1 6 30 17 1 7 5 11 1 8 5 13 1 9 34 19 1 10 11 4 ar 11 11 7 ar 12 15 4 1 13 15 23 1 14 15 22 1 15 4 9 ar 16 7 10 ar 17 9 10 ar 18 9 12 ar 19 10 6 ar 20 1 12 2 21 12 8 ar 22 17 6 1 23 17 29 1 24 17 28 1 25 6 14 ar 26 8 14 ar 27 8 19 1 28 21 13 1 29 14 2 2 30 19 33 1 31 19 35 1 32 13 20 1 33 13 18 1 34 36 3 1 35 3 18 1 36 18 31 1 37 18 32 1