@MOLECULE velutin 37 39 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 0.2924 -0.2344 -0.1771 O.2 1 UNL1 -0.2627 2 O 4.3713 -2.6758 -0.2949 O.3 1 UNL1 -0.2915 3 O 4.5710 1.8842 0.4208 O.3 1 UNL1 -0.4545 4 O -4.1412 -1.7734 0.9437 O.3 1 UNL1 -0.2941 5 O 2.3062 3.2563 0.4546 O.2 1 UNL1 -0.5385 6 O -5.8688 0.0234 -0.4792 O.3 1 UNL1 -0.4704 7 C 2.3880 0.9360 0.1290 C.ar 1 UNL1 -0.4888 8 C 1.6573 -0.2356 -0.0895 C.ar 1 UNL1 0.3825 9 C -0.3675 0.9624 -0.0488 C.ar 1 UNL1 0.3040 10 C -1.8054 0.7208 -0.1734 C.ar 1 UNL1 -0.0798 11 C 1.7027 2.2092 0.2652 C.ar 1 UNL1 0.5537 12 C 0.2500 2.1397 0.1601 C.ar 1 UNL1 -0.4225 13 C 3.7989 0.8192 0.2064 C.ar 1 UNL1 0.4639 14 C 2.2430 -1.4885 -0.2399 C.ar 1 UNL1 -0.4739 15 C 3.6423 -1.5483 -0.1639 C.ar 1 UNL1 0.3888 16 C 4.4344 -0.4136 0.0605 C.ar 1 UNL1 -0.4393 17 C -2.3674 -0.4128 0.4185 C.ar 1 UNL1 -0.1605 18 C -2.5990 1.6277 -0.8785 C.ar 1 UNL1 -0.1065 19 C -3.7420 -0.6408 0.3138 C.ar 1 UNL1 0.1514 20 C -3.9688 1.4066 -0.9904 C.ar 1 UNL1 -0.2520 21 C -4.5354 0.2805 -0.3971 C.ar 1 UNL1 0.1819 22 C 3.6702 -3.8933 -0.5242 C.3 1 UNL1 -0.2046 23 C -5.5258 -2.0975 0.9120 C.3 1 UNL1 -0.1926 24 H -0.2935 3.0753 0.2729 H 1 UNL1 0.2026 25 H 1.6296 -2.3629 -0.4105 H 1 UNL1 0.1914 26 H -1.7476 -1.1260 0.9665 H 1 UNL1 0.1879 27 H 5.5166 -0.4898 0.1186 H 1 UNL1 0.2045 28 H -2.1496 2.5051 -1.3457 H 1 UNL1 0.1691 29 H -4.5916 2.1089 -1.5387 H 1 UNL1 0.1640 30 H 3.9983 2.7327 0.5060 H 1 UNL1 0.3862 31 H 3.1172 -3.8541 -1.4680 H 1 UNL1 0.1401 32 H 3.0132 -4.1283 0.3186 H 1 UNL1 0.1398 33 H 4.4911 -4.6210 -0.5881 H 1 UNL1 0.1553 34 H -6.3449 0.7246 -0.9909 H 1 UNL1 0.3300 35 H -5.8651 -2.2640 -0.1157 H 1 UNL1 0.1434 36 H -6.1215 -1.3206 1.4033 H 1 UNL1 0.1438 37 H -5.5534 -3.0318 1.4879 H 1 UNL1 0.1477 @BOND 1 29 20 1 2 31 22 1 3 28 18 1 4 34 6 1 5 20 18 ar 6 20 21 ar 7 18 10 ar 8 33 22 1 9 22 2 1 10 22 32 1 11 6 21 1 12 25 14 1 13 21 19 ar 14 2 15 1 15 14 15 ar 16 14 8 ar 17 1 8 ar 18 1 9 ar 19 10 9 1 20 10 17 ar 21 15 16 ar 22 35 23 1 23 8 7 ar 24 9 12 ar 25 16 27 1 26 16 13 ar 27 7 13 ar 28 7 11 ar 29 12 11 ar 30 12 24 1 31 13 3 1 32 11 5 2 33 19 17 ar 34 19 4 1 35 17 26 1 36 3 30 1 37 23 4 1 38 23 36 1 39 23 37 1