@MOLECULE podocarpusflavone a 61 66 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.5973 -0.0811 0.0413 O.2 1 UNL1 -0.2551 2 O 2.7055 0.3316 0.0958 O.2 1 UNL1 -0.2641 3 O -1.2673 4.2537 -0.9535 O.3 1 UNL1 -0.4390 4 O -4.9766 3.6470 1.9197 O.3 1 UNL1 -0.4580 5 O -2.5178 1.2098 -2.9731 O.3 1 UNL1 -0.4381 6 O -5.6668 1.1475 2.4209 O.2 1 UNL1 -0.5425 7 O 7.5037 0.3720 0.4131 O.3 1 UNL1 -0.4581 8 O 6.2467 0.9525 -1.8281 O.2 1 UNL1 -0.5410 9 O 4.7715 -0.7340 4.1109 O.3 1 UNL1 -0.4521 10 O -1.7322 -6.1299 -0.6646 O.3 1 UNL1 -0.3081 11 C -1.9471 2.0871 -0.4562 C.ar 1 UNL1 -0.2758 12 C -2.8322 1.2478 0.2238 C.ar 1 UNL1 0.3761 13 C -0.9099 1.5317 -1.3104 C.ar 1 UNL1 -0.0558 14 C -3.8668 1.7192 1.0366 C.ar 1 UNL1 -0.4855 15 C 1.3758 0.8426 -1.7038 C.ar 1 UNL1 -0.1696 16 C -2.1411 3.4713 -0.2909 C.ar 1 UNL1 0.4285 17 C 0.4022 1.4129 -0.8716 C.ar 1 UNL1 -0.0323 18 C -4.0154 3.1207 1.1646 C.ar 1 UNL1 0.4794 19 C -1.2258 1.0692 -2.6037 C.ar 1 UNL1 0.3193 20 C -3.4058 -0.9884 0.6836 C.ar 1 UNL1 0.3221 21 C 2.7461 0.7208 -1.2219 C.ar 1 UNL1 0.3210 22 C -4.7436 0.7733 1.7098 C.ar 1 UNL1 0.5586 23 C -3.1534 4.0062 0.5084 C.ar 1 UNL1 -0.4898 24 C 1.0416 0.3869 -2.9820 C.ar 1 UNL1 -0.0275 25 C -4.4316 -0.6302 1.4806 C.ar 1 UNL1 -0.4378 26 C -0.2649 0.4974 -3.4425 C.ar 1 UNL1 -0.3268 27 C -2.9328 -2.3232 0.3398 C.ar 1 UNL1 -0.1747 28 C 5.1234 0.3805 0.1464 C.ar 1 UNL1 -0.4944 29 C 3.8843 0.1746 0.7664 C.ar 1 UNL1 0.3739 30 C 3.8889 0.9426 -1.8990 C.ar 1 UNL1 -0.4410 31 C 5.1816 0.7747 -1.2516 C.ar 1 UNL1 0.5553 32 C 6.2890 0.1963 0.9278 C.ar 1 UNL1 0.4774 33 C 3.7519 -0.2039 2.0963 C.ar 1 UNL1 -0.4283 34 C -3.8466 -3.3810 0.2160 C.ar 1 UNL1 -0.0322 35 C -1.5689 -2.5414 0.1166 C.ar 1 UNL1 -0.0143 36 C 4.9405 -0.3700 2.8235 C.ar 1 UNL1 0.4310 37 C 6.2098 -0.1784 2.2737 C.ar 1 UNL1 -0.4928 38 C -3.4027 -4.6468 -0.1223 C.ar 1 UNL1 -0.2711 39 C -1.1044 -3.8070 -0.2247 C.ar 1 UNL1 -0.3211 40 C -2.0269 -4.8493 -0.3408 C.ar 1 UNL1 0.2886 41 C -0.3657 -6.4524 -0.8923 C.3 1 UNL1 -0.2039 42 H 0.6727 1.7676 0.1271 H 1 UNL1 0.1761 43 H -3.2886 5.0747 0.6270 H 1 UNL1 0.1941 44 H 1.8068 -0.0611 -3.6192 H 1 UNL1 0.1594 45 H -5.0554 -1.3582 1.9946 H 1 UNL1 0.2035 46 H -0.5324 0.1456 -4.4332 H 1 UNL1 0.1659 47 H 3.8996 1.2702 -2.9363 H 1 UNL1 0.2038 48 H 2.7844 -0.3636 2.5603 H 1 UNL1 0.2048 49 H -4.9117 -3.2019 0.3823 H 1 UNL1 0.1646 50 H -0.8583 -1.7148 0.2129 H 1 UNL1 0.1697 51 H -1.4509 5.2211 -0.8214 H 1 UNL1 0.3349 52 H 7.1170 -0.3094 2.8508 H 1 UNL1 0.1940 53 H -5.5465 2.9024 2.3490 H 1 UNL1 0.3911 54 H -2.6882 0.8648 -3.8860 H 1 UNL1 0.3258 55 H -4.0906 -5.4833 -0.2232 H 1 UNL1 0.1782 56 H -0.0445 -3.9656 -0.3951 H 1 UNL1 0.1717 57 H 7.4397 0.6460 -0.5788 H 1 UNL1 0.3906 58 H 5.6325 -0.8302 4.5953 H 1 UNL1 0.3364 59 H 0.2318 -6.2832 0.0092 H 1 UNL1 0.1396 60 H 0.0299 -5.8975 -1.7485 H 1 UNL1 0.1378 61 H -0.4188 -7.5264 -1.1216 H 1 UNL1 0.1578 @BOND 1 46 26 1 2 54 5 1 3 44 24 1 4 26 24 ar 5 26 19 ar 6 24 15 ar 7 5 19 1 8 47 30 1 9 19 13 ar 10 30 31 ar 11 30 21 ar 12 8 31 2 13 60 41 1 14 15 21 1 15 15 17 ar 16 13 17 ar 17 13 11 1 18 31 28 ar 19 21 2 ar 20 61 41 1 21 3 51 1 22 3 16 1 23 41 10 1 24 41 59 1 25 17 42 1 26 10 40 1 27 57 7 1 28 11 16 ar 29 11 12 ar 30 56 39 1 31 40 39 ar 32 40 38 ar 33 16 23 ar 34 39 35 ar 35 55 38 1 36 38 34 ar 37 1 12 ar 38 1 20 ar 39 2 29 ar 40 35 50 1 41 35 27 ar 42 28 29 ar 43 28 32 ar 44 34 27 ar 45 34 49 1 46 12 14 ar 47 27 20 1 48 7 32 1 49 23 43 1 50 23 18 ar 51 20 25 ar 52 29 33 ar 53 32 37 ar 54 14 18 ar 55 14 22 ar 56 18 4 1 57 25 22 ar 58 25 45 1 59 22 6 2 60 4 53 1 61 33 48 1 62 33 36 ar 63 37 36 ar 64 37 52 1 65 36 9 1 66 9 58 1