@MOLECULE coryn-18-en-17-al 22 24 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 5.1283 -3.1843 -0.0202 O.3 1 UNL1 -0.2263 2 N 1.0565 2.5187 -0.0131 N.pl3 1 UNL1 0.2174 3 N -2.1740 -1.6425 0.0128 N.2 1 UNL1 -0.2749 4 C 0.0624 -0.6532 0.0069 C.1 1 UNL1 0.0437 5 C -1.3446 -0.6109 0.0051 C.2 1 UNL1 0.1852 6 C 2.6761 -0.3368 0.0036 C.2 1 UNL1 0.2461 7 C 3.1912 1.0882 0.0061 C.2 1 UNL1 0.3124 8 C -2.0693 0.7090 -0.0058 C.2 1 UNL1 -0.2534 9 C 1.2748 -0.5228 0.0066 C.1 1 UNL1 -0.1532 10 C 2.1059 1.9947 -0.0058 C.3 1 UNL1 -0.0168 11 C -3.4528 0.3933 -0.0039 C.ar 1 UNL1 0.0514 12 C -3.4773 -1.1630 0.0085 C.ar 1 UNL1 0.1018 13 C -0.2092 2.4313 -0.0162 C.2 1 UNL1 -0.3258 14 C -1.2894 1.7865 -0.0131 C.1 1 UNL1 0.3592 15 C 3.5267 -1.3341 -0.0039 C.1 1 UNL1 -0.4444 16 C 4.4579 1.4326 0.0175 C.1 1 UNL1 -0.6448 17 C -4.6875 0.9429 -0.0089 C.ar 1 UNL1 -0.0989 18 C -4.7330 -1.6789 0.0120 C.ar 1 UNL1 -0.0425 19 C -5.8067 0.3156 -0.0047 C.ar 1 UNL1 0.0312 20 C 4.3681 -2.3063 -0.0122 C.1 1 UNL1 0.5231 21 C -5.8303 -1.0151 0.0064 C.ar 1 UNL1 -0.0120 22 C 5.7091 1.7469 0.0291 C.1 1 UNL1 0.4216 @BOND 1 1 20 1 2 13 2 1 3 13 14 2 4 2 10 1 5 14 8 2 6 20 15 3 7 17 19 ar 8 17 11 ar 9 10 7 1 10 8 11 1 11 8 5 1 12 19 21 ar 13 15 6 1 14 11 12 ar 15 6 7 2 16 6 9 1 17 5 4 1 18 5 3 2 19 7 16 1 20 21 18 ar 21 9 4 3 22 12 18 ar 23 12 3 1 24 16 22 3