@MOLECULE glyoxylic acid 32-ester with doxorubicin 2-(diethyl acetal) 60 64 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1160 -1.6300 0.1898 O.3 1 UNL111111 -0.5078 2 O 1.8036 -2.7196 0.8937 O.3 1 UNL111111 -0.4205 3 O 1.4068 0.1108 -1.2007 O.3 1 UNL111111 -0.5847 4 O 2.6684 -4.9715 -0.7614 O.3 1 UNL111111 -0.1797 5 O -2.8488 -1.4933 1.2960 O.3 1 UNL111111 0.0787 6 O -2.3206 3.0958 -1.3877 O.3 1 UNL111111 -0.3115 7 O 2.4567 2.9941 0.3588 O.2 1 UNL111111 -0.3941 8 O 4.5971 1.0560 0.1086 O.3 1 UNL111111 -0.4790 9 O -5.3284 -1.4090 1.0832 O.2 1 UNL111111 -0.4417 10 O -4.9109 3.4865 -1.2183 O.2 1 UNL111111 -0.2878 11 O -7.6180 -1.4099 0.9482 O.3 1 UNL111111 -0.3813 12 O 5.9228 -0.4515 -0.9118 O.2 1 UNL111111 -0.2992 13 O 7.5886 2.2077 -0.7057 O.3 1 UNL111111 0.0960 14 O 7.2435 1.6843 1.5002 O.3 1 UNL111111 0.2223 15 N 0.4520 -4.6880 -2.5476 N.3 1 UNL111111 -0.1661 16 C 1.1990 1.0408 -0.1616 C.3 1 UNL111111 0.2312 17 C -0.2808 -0.5473 1.1071 C.3 1 UNL111111 0.1561 18 C 0.9905 0.3023 1.1644 C.3 1 UNL111111 -0.3940 19 C 0.0119 1.9429 -0.5228 C.3 1 UNL111111 -0.3395 20 C -1.4447 0.2089 0.5222 C.ar 1 UNL111111 -0.1210 21 C -1.3017 1.3514 -0.1961 C.ar 1 UNL111111 0.0331 22 C 0.4295 -2.8301 0.7115 C.3 1 UNL111111 0.3214 23 C 0.0057 -3.9007 -0.2912 C.3 1 UNL111111 -0.3313 24 C 0.7916 -3.7131 -1.6060 C.3 1 UNL111111 -0.1135 25 C 2.3188 -3.7811 -1.2538 C.3 1 UNL111111 0.0247 26 C 2.6544 -2.6509 -0.2506 C.3 1 UNL111111 -0.2045 27 C 2.4794 1.8814 -0.1099 C.2 1 UNL111111 0.2175 28 C -2.7612 -0.3490 0.7184 C.ar 1 UNL111111 0.1287 29 C -2.4850 2.1040 -0.7102 C.ar 1 UNL111111 0.3713 30 C -3.9089 0.3479 0.2897 C.ar 1 UNL111111 -0.1477 31 C -3.8069 1.5807 -0.3640 C.ar 1 UNL111111 -0.1394 32 C 4.0154 -2.7493 0.2757 C.3 1 UNL111111 0.2478 33 C 3.7117 1.3489 -0.8128 C.3 1 UNL111111 0.3774 34 C -5.2224 -0.1921 0.5181 C.2 1 UNL111111 0.3775 35 C -5.0093 2.3870 -0.7329 C.2 1 UNL111111 0.4230 36 C -6.3666 0.4745 0.1754 C.ar 1 UNL111111 -0.2923 37 C -6.3278 1.7834 -0.4487 C.ar 1 UNL111111 -0.1272 38 C -7.6554 -0.1572 0.4165 C.ar 1 UNL111111 0.3201 39 C -7.5391 2.3151 -0.6995 C.ar 1 UNL111111 0.0209 40 C -8.7545 0.5540 0.0979 C.ar 1 UNL111111 -0.2437 41 C -8.7712 1.7754 -0.4225 C.ar 1 UNL111111 0.0220 42 C 5.8488 0.5565 -0.2907 C.2 1 UNL111111 0.6129 43 C 6.9010 1.4278 0.2262 C.3 1 UNL111111 -0.0912 44 C -6.5151 -2.0268 1.2887 C.3 1 UNL111111 0.5857 45 C 8.8441 1.9783 -0.7634 C.3 1 UNL111111 -0.4414 46 C 6.5694 1.0906 2.4098 C.3 1 UNL111111 -0.5544 47 C 10.1150 1.8938 -0.9374 C.3 1 UNL111111 0.3569 48 C 5.9852 0.5913 3.4346 C.3 1 UNL111111 0.3866 49 H -0.5204 -0.9493 2.1226 H 1 UNL111111 0.1390 50 H 1.8621 -0.3495 1.3899 H 1 UNL111111 0.1852 51 H 0.9283 1.0239 2.0044 H 1 UNL111111 0.1812 52 H 0.1179 2.9451 -0.0307 H 1 UNL111111 0.2111 53 H 0.0648 2.1887 -1.6165 H 1 UNL111111 0.2120 54 H 0.0714 -3.0145 1.7536 H 1 UNL111111 0.1403 55 H 0.2059 -4.9137 0.1237 H 1 UNL111111 0.1878 56 H -1.0873 -3.8513 -0.4828 H 1 UNL111111 0.1814 57 H 0.5606 -2.6910 -2.0376 H 1 UNL111111 0.1897 58 H 2.9353 -3.6653 -2.1969 H 1 UNL111111 0.2052 59 H 2.5142 -1.6443 -0.7335 H 1 UNL111111 0.1949 60 H 0.7593 -0.6324 -1.1071 H 1 UNL111111 0.3551 @BOND 1 47 45 1 2 45 13 1 3 13 43 1 4 43 14 1 5 43 42 1 6 14 46 1 7 42 8 1 8 42 12 2 9 8 33 1 10 46 48 1 11 7 27 2 12 33 27 1 13 27 16 1 14 53 19 1 15 52 19 1 16 19 16 1 17 19 21 1 18 6 29 1 19 3 16 1 20 3 60 1 21 16 18 1 22 59 26 1 23 32 26 1 24 29 21 ar 25 29 31 ar 26 58 25 1 27 10 35 2 28 21 20 ar 29 18 51 1 30 18 50 1 31 18 17 1 32 26 25 1 33 26 2 1 34 57 24 1 35 25 24 1 36 25 4 1 37 35 31 1 38 35 37 1 39 31 30 ar 40 20 17 1 41 20 28 ar 42 17 1 1 43 17 49 1 44 1 22 1 45 2 22 1 46 24 15 1 47 24 23 1 48 39 37 ar 49 39 41 ar 50 22 23 1 51 22 54 1 52 37 36 ar 53 30 28 ar 54 30 34 1 55 28 5 1 56 23 56 1 57 23 55 1 58 41 40 ar 59 36 34 1 60 36 38 ar 61 34 9 2 62 40 38 ar 63 38 11 1 64 11 44 1