@MOLECULE (3beta,4beta,19e)-9-[(14alpha)-14,15-dihydroeburnamenin-14-yl]-10,17-dihydroxy-4-methylcoryn-19-en-4-ium 45 55 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -1.3879 -4.4694 -1.4569 O.2 1 UNL1 -0.3792 2 O 9.7105 -0.7927 -0.8548 O.3 1 UNL1 -0.2224 3 N -4.5079 -0.2710 0.1018 N.3 1 UNL1 -0.2594 4 N -3.6118 3.4043 -0.1988 N.ar 1 UNL1 0.0749 5 N 3.6962 0.8029 0.0088 N.pl3 1 UNL1 0.0297 6 N 2.9629 -2.6596 0.6282 N.pl3 1 UNL1 -0.2180 7 C -3.4964 1.9544 -0.0981 C.ar 1 UNL1 0.0614 8 C -4.6450 1.1269 0.0048 C.3 1 UNL1 -0.0005 9 C -2.2703 1.3208 -0.1032 C.ar 1 UNL1 -0.0941 10 C -3.2819 -0.9703 0.1043 C.3 1 UNL1 0.3407 11 C -6.0135 1.5686 0.0223 C.2 1 UNL1 0.0146 12 C -5.7983 -0.7808 0.1859 C.3 1 UNL1 0.1977 13 C -0.1557 -2.6756 -0.4376 C.1 1 UNL1 -0.4223 14 C -2.1327 -0.1104 -0.0134 C.ar 1 UNL1 -0.3216 15 C -6.8120 0.4110 0.1350 C.2 1 UNL1 -0.0348 16 C 0.1915 -1.4529 -0.1490 C.2 1 UNL1 0.0569 17 C 3.9586 -0.4831 0.2943 C.2 1 UNL1 -0.1361 18 C 2.8028 -1.3292 0.2794 C.2 1 UNL1 0.1684 19 C 1.5425 -0.8141 -0.0328 C.3 1 UNL1 -0.0352 20 C -0.9319 1.9758 -0.2095 C.ar 1 UNL1 0.1259 21 C 2.3898 -3.6842 0.7753 C.3 1 UNL1 0.5004 22 C -5.9271 2.9494 -0.0809 C.2 1 UNL1 0.0783 23 C -4.9218 3.6966 -0.1722 C.2 1 UNL1 -0.0581 24 C -0.7561 -0.3358 -0.0719 C.ar 1 UNL1 0.1846 25 C -0.6670 -3.9158 -0.6758 C.2 1 UNL1 0.5124 26 C -2.3894 3.9128 -0.2862 C.ar 1 UNL1 -0.0881 27 C -6.3956 -1.9990 0.2977 C.2 1 UNL1 -0.1028 28 C -1.2799 3.2997 -0.2878 C.ar 1 UNL1 0.0887 29 C -8.1022 -0.0102 0.2120 C.2 1 UNL1 -0.0187 30 C 1.3708 0.6425 -0.1600 C.2 1 UNL1 0.0749 31 C 5.3200 -0.7685 0.7325 C.3 1 UNL1 0.2380 32 C 2.4805 1.4278 -0.1596 C.2 1 UNL1 -0.1622 33 C 1.4428 -4.6172 0.7117 C.2 1 UNL1 -0.4242 34 C 4.5551 1.9237 0.0448 C.2 1 UNL1 -0.4933 35 C 0.2878 -4.6905 0.2531 C.2 1 UNL1 0.2633 36 C 6.2923 0.2439 0.3168 C.3 1 UNL1 -0.0264 37 C 5.9383 1.7157 0.2767 C.2 1 UNL1 0.3455 38 C -7.6516 -2.2249 0.3584 C.2 1 UNL1 0.0702 39 C -8.5235 -1.2116 0.3152 C.2 1 UNL1 -0.0117 40 C 3.5197 2.9067 -0.1461 C.3 1 UNL1 0.5430 41 C -0.0255 0.9229 -0.1772 C.ar 1 UNL1 -0.2078 42 C 7.4677 -0.1645 -0.0963 C.1 1 UNL1 -0.3655 43 C 6.8503 2.6631 0.4240 C.1 1 UNL1 -0.7014 44 C 8.6492 -0.4745 -0.5020 C.1 1 UNL1 0.4943 45 C 7.7348 3.5714 0.5648 C.1 1 UNL1 0.3197 @BOND 1 1 25 1 2 2 44 1 3 25 13 2 4 25 35 1 5 44 42 3 6 13 16 2 7 28 26 ar 8 28 20 ar 9 26 4 ar 10 20 41 ar 11 20 9 ar 12 4 23 1 13 4 7 ar 14 41 30 1 15 41 24 ar 16 23 22 2 17 30 32 2 18 30 19 1 19 32 40 1 20 32 5 1 21 16 24 1 22 16 19 1 23 40 34 1 24 9 7 ar 25 9 14 ar 26 7 8 1 27 42 36 1 28 22 11 1 29 24 14 ar 30 19 18 1 31 14 10 1 32 8 11 1 33 8 3 1 34 5 34 1 35 5 17 1 36 11 15 2 37 34 37 2 38 3 10 1 39 3 12 1 40 15 12 1 41 15 29 1 42 12 27 1 43 29 39 2 44 35 33 2 45 37 36 1 46 37 43 1 47 18 17 2 48 18 6 1 49 17 31 1 50 27 38 2 51 39 38 1 52 36 31 1 53 43 45 3 54 6 21 1 55 33 21 1