@MOLECULE methyl 3-[(3s,4s)-14,18-diethyl-9-(1-hydroxyethyl)-4,6,8,13-tetramethyl-20-oxo-24,25-dihydro-3-phorbinyl]propanoate 46 51 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -2.4685 4.4426 1.5503 O.2 1 UNL1 -0.3773 2 O -7.9127 -0.0334 -0.8139 O.2 1 UNL1 -0.4875 3 O 0.7930 -5.3995 1.7321 O.2 1 UNL1 -0.1134 4 O -7.2694 0.6721 1.7702 O.3 1 UNL1 -0.1899 5 N -0.9182 -0.4073 -1.5423 N.ar 1 UNL1 -0.3716 6 N 0.7315 2.0858 -0.9795 N.2 1 UNL1 -0.3060 7 N 1.9081 -2.0708 -0.8196 N.2 1 UNL1 -0.3366 8 N 3.0299 0.6826 0.4091 N.ar 1 UNL1 -0.2898 9 C -2.9917 -0.6992 -0.4998 C.ar 1 UNL1 -0.2921 10 C -2.4671 -2.0169 -0.8859 C.ar 1 UNL1 -0.5781 11 C -1.9411 0.2704 -0.8311 C.ar 1 UNL1 0.4451 12 C -1.1595 -1.6989 -1.5134 C.ar 1 UNL1 0.4064 13 C -4.1423 -0.3911 0.0877 C.3 1 UNL1 0.4629 14 C -1.7975 1.5615 -0.4019 C.2 1 UNL1 -0.4216 15 C -2.9817 -3.2180 -0.6633 C.3 1 UNL1 0.5171 16 C -2.7517 2.2954 0.3992 C.3 1 UNL1 0.1607 17 C -0.5687 2.3157 -0.4485 C.2 1 UNL1 0.3685 18 C -0.1724 -2.6734 -1.9487 C.2 1 UNL1 -0.5997 19 C -0.6207 3.4528 0.3648 C.2 1 UNL1 -0.4623 20 C -5.2253 -0.0837 0.6457 C.1 1 UNL1 -0.5490 21 C -1.9880 3.5703 0.8826 C.2 1 UNL1 0.3333 22 C 0.8629 -2.8672 -0.9402 C.2 1 UNL1 0.3006 23 C 0.7066 3.9859 0.4753 C.2 1 UNL1 0.3378 24 C 1.5189 2.9661 -0.4081 C.2 1 UNL1 0.1681 25 C 0.8445 -3.8752 0.1167 C.2 1 UNL1 -0.3689 26 C -0.0629 -3.1854 -3.1700 C.3 1 UNL1 0.5510 27 C 1.9607 -3.6172 0.9367 C.2 1 UNL1 0.1063 28 C 2.6105 -2.4107 0.3965 C.2 1 UNL1 0.0828 29 C 1.2506 5.0043 1.0927 C.1 1 UNL1 -0.6664 30 C -6.3175 0.3156 1.2279 C.1 1 UNL1 0.6592 31 C 2.9625 2.9292 -0.5537 C.2 1 UNL1 -0.0784 32 C 3.6404 1.8193 -0.2107 C.ar 1 UNL1 0.0547 33 C 1.9883 -4.5542 1.9955 C.2 1 UNL1 -0.5205 34 C 3.5533 -1.6271 0.9449 C.2 1 UNL1 -0.0733 35 C 3.8749 -0.3099 0.3958 C.ar 1 UNL1 0.2732 36 C 5.0772 1.4889 -0.4957 C.ar 1 UNL1 0.4084 37 C 0.1666 -5.0077 0.6872 C.3 1 UNL1 0.2227 38 C 5.1964 0.0564 -0.1796 C.ar 1 UNL1 -0.6711 39 C 1.7522 5.9992 1.7263 C.1 1 UNL1 0.3521 40 C 6.0038 2.3076 -0.9472 C.1 1 UNL1 -0.7658 41 C 2.6768 -4.8744 3.0813 C.2 1 UNL1 0.5414 42 C 6.2390 -0.7189 -0.4337 C.3 1 UNL1 0.5537 43 C 6.8720 3.1392 -1.3793 C.1 1 UNL1 0.3524 44 C -8.2878 0.2765 -1.8475 C.2 1 UNL1 0.4889 45 H 3.4543 3.8130 -0.9717 H 1 UNL1 0.1940 46 H 4.0804 -1.9028 1.8630 H 1 UNL1 0.1782 @BOND 1 26 18 1 2 18 12 2 3 18 22 1 4 44 2 2 5 5 12 ar 6 5 11 ar 7 12 10 ar 8 43 40 3 9 6 17 2 10 6 24 1 11 45 31 1 12 40 36 1 13 22 7 2 14 22 25 1 15 10 15 1 16 10 9 ar 17 11 9 ar 18 11 14 2 19 7 28 1 20 31 24 2 21 31 32 1 22 9 13 1 23 36 32 ar 24 36 38 ar 25 17 14 1 26 17 19 1 27 42 38 1 28 24 23 1 29 14 16 1 30 32 8 ar 31 38 35 ar 32 13 20 1 33 25 37 1 34 25 27 2 35 19 23 2 36 19 21 1 37 35 8 ar 38 35 34 1 39 28 27 1 40 28 34 2 41 16 21 1 42 23 29 1 43 20 30 3 44 37 3 1 45 21 1 2 46 27 33 1 47 34 46 1 48 29 39 3 49 30 4 1 50 3 33 1 51 33 41 2