@MOLECULE 3,3'-(3,7,12,17-tetramethyl-8,13-disulfo-22,24-dihydroporphyrin-2,18-diyl)dipropanoic acid 78 82 0 0 0 SMALL GASTEIGER @ATOM 1 N 1.8317 -1.1917 0.1093 N.ar 1 UNL111111111 -0.5157 2 C 1.6017 -2.6180 -0.0361 C.ar 1 UNL111111111 0.1508 3 C 2.9107 -3.2464 -0.2882 C.ar 1 UNL111111111 -0.4788 4 O 1.9945 -5.5964 -1.0138 O.2 1 UNL111111111 -0.8984 5 O 4.4638 -5.2654 -0.8698 O.2 1 UNL111111111 -0.9096 6 C 3.8720 -2.2879 -0.3464 C.ar 1 UNL111111111 0.1747 7 C 3.8422 0.2271 -0.2586 C.2 1 UNL111111111 -0.2477 8 C 3.2253 -0.9611 -0.1315 C.ar 1 UNL111111111 0.1273 9 C 3.1655 5.2213 0.4313 C.3 1 UNL111111111 -0.4589 10 O 3.0886 -5.3242 1.1967 O.3 1 UNL111111111 -0.8388 11 O 5.9249 3.3844 -1.4462 O.3 1 UNL111111111 -0.8423 12 C 3.2775 1.5392 -0.1129 C.ar 1 UNL111111111 0.1740 13 C 3.9437 2.7681 0.0969 C.ar 1 UNL111111111 -0.5246 14 C 2.9510 3.7814 0.2132 C.ar 1 UNL111111111 0.0762 15 C 1.6977 3.1618 0.0661 C.ar 1 UNL111111111 0.0110 16 C 0.4001 3.7673 0.1082 C.2 1 UNL111111111 -0.2376 17 C 5.3164 -2.3994 -0.5682 C.3 1 UNL111111111 -0.4934 18 O -7.3092 3.5168 0.1708 O.2 1 UNL111111111 -0.5053 19 C -6.6556 3.2119 -0.7909 C.2 1 UNL111111111 0.6442 20 O -7.2366 3.0711 -2.0116 O.3 1 UNL111111111 -0.5675 21 C -5.1889 2.9450 -0.8892 C.3 1 UNL111111111 -0.3368 22 C -4.5434 3.0587 0.4965 C.3 1 UNL111111111 -0.2541 23 C -3.0798 2.8721 0.4007 C.ar 1 UNL111111111 -0.0657 24 C -2.1185 3.8225 0.2892 C.ar 1 UNL111111111 -0.0002 25 C -2.2743 5.2840 0.2122 C.3 1 UNL111111111 -0.4428 26 C -0.7902 3.1645 0.2802 C.ar 1 UNL111111111 0.1293 27 N -1.0109 1.7456 0.3981 N.ar 1 UNL111111111 -0.5193 28 C -2.4395 1.5397 0.4410 C.ar 1 UNL111111111 0.1462 29 C -3.0597 0.3458 0.4202 C.2 1 UNL111111111 -0.2300 30 C -2.4589 -0.9565 0.4179 C.ar 1 UNL111111111 0.0539 31 N -1.1263 -1.2072 0.1087 N.ar 1 UNL111111111 -0.3209 32 C -3.0678 -2.1880 0.7340 C.ar 1 UNL111111111 -0.1062 33 C -4.4962 -2.3828 1.0600 C.3 1 UNL111111111 -0.2325 34 C -5.2874 -2.5434 -0.2478 C.3 1 UNL111111111 -0.3397 35 C -6.7334 -2.7742 0.0322 C.2 1 UNL111111111 0.6461 36 O -7.4384 -2.7592 -1.1336 O.3 1 UNL111111111 -0.5757 37 O -7.2944 -2.9578 1.0792 O.2 1 UNL111111111 -0.5096 38 C -2.0793 -3.1982 0.6223 C.ar 1 UNL111111111 -0.0323 39 C -2.2545 -4.6403 0.8671 C.3 1 UNL111111111 -0.4313 40 C -0.8791 -2.5759 0.2246 C.ar 1 UNL111111111 0.0175 41 C 0.3881 -3.1978 -0.0224 C.2 1 UNL111111111 -0.1957 42 S 3.1328 -4.9483 -0.4176 S.O2 1 UNL111111111 2.4393 43 N 1.9205 1.7937 -0.1422 N.ar 1 UNL111111111 -0.2983 44 S 5.6288 2.9947 0.1448 S.O2 1 UNL111111111 2.4614 45 O 6.2975 1.7363 0.3862 O.2 1 UNL111111111 -0.9253 46 O 6.0266 4.1739 0.8793 O.2 1 UNL111111111 -0.9275 47 H 1.4535 -0.7784 0.9568 H 1 UNL111111111 0.2927 48 H 4.9290 0.2221 -0.4834 H 1 UNL111111111 0.2265 49 H 3.2739 5.7576 -0.5264 H 1 UNL111111111 0.1669 50 H 2.3401 5.6932 0.9818 H 1 UNL111111111 0.1545 51 H 4.0855 5.4351 1.0114 H 1 UNL111111111 0.1990 52 H 3.2137 -6.2449 1.4466 H 1 UNL111111111 0.3857 53 H 6.7006 3.9257 -1.6226 H 1 UNL111111111 0.3812 54 H 0.4179 4.8593 -0.0130 H 1 UNL111111111 0.1810 55 H 5.5908 -2.1197 -1.6020 H 1 UNL111111111 0.1879 56 H 5.9004 -1.7375 0.0978 H 1 UNL111111111 0.1885 57 H 5.7179 -3.4226 -0.4235 H 1 UNL111111111 0.2084 58 H -8.2123 3.2285 -2.0098 H 1 UNL111111111 0.3578 59 H -5.0059 1.9410 -1.3347 H 1 UNL111111111 0.1914 60 H -4.7192 3.6559 -1.6049 H 1 UNL111111111 0.1854 61 H -4.7906 4.0442 0.9539 H 1 UNL111111111 0.1692 62 H -4.9972 2.3187 1.1953 H 1 UNL111111111 0.1728 63 H -1.9880 5.7665 1.1626 H 1 UNL111111111 0.1695 64 H -1.6457 5.7269 -0.5770 H 1 UNL111111111 0.1652 65 H -3.3108 5.5879 -0.0012 H 1 UNL111111111 0.1655 66 H -0.4826 1.2776 1.1278 H 1 UNL111111111 0.2913 67 H -4.1587 0.3265 0.4199 H 1 UNL111111111 0.1848 68 H -0.5086 -0.5568 -0.3231 H 1 UNL111111111 0.3166 69 H -4.6442 -3.2743 1.7086 H 1 UNL111111111 0.1636 70 H -4.8987 -1.5369 1.6567 H 1 UNL111111111 0.1586 71 H -5.1531 -1.6535 -0.9014 H 1 UNL111111111 0.1852 72 H -4.8769 -3.3900 -0.8442 H 1 UNL111111111 0.1881 73 H -8.4064 -2.9101 -1.0166 H 1 UNL111111111 0.3550 74 H -2.3856 -5.1921 -0.0784 H 1 UNL111111111 0.1620 75 H -1.3817 -5.0810 1.3740 H 1 UNL111111111 0.1598 76 H -3.1313 -4.8554 1.4951 H 1 UNL111111111 0.1576 77 H 0.3022 -4.2857 -0.2128 H 1 UNL111111111 0.2165 78 H 1.2134 1.1422 -0.4102 H 1 UNL111111111 0.3225 @BOND 1 1 2 ar 2 1 8 ar 3 1 47 1 4 2 41 2 5 2 3 ar 6 3 42 1 7 3 6 ar 8 4 42 2 9 5 42 2 10 6 8 ar 11 6 17 1 12 7 12 1 13 7 8 2 14 7 48 1 15 9 14 1 16 9 49 1 17 9 50 1 18 9 51 1 19 10 42 1 20 10 52 1 21 11 44 1 22 11 53 1 23 12 43 ar 24 12 13 ar 25 13 14 ar 26 13 44 1 27 14 15 ar 28 15 16 1 29 15 43 ar 30 16 26 2 31 16 54 1 32 17 55 1 33 17 56 1 34 17 57 1 35 18 19 2 36 19 20 1 37 19 21 1 38 20 58 1 39 21 22 1 40 21 59 1 41 21 60 1 42 22 23 1 43 22 61 1 44 22 62 1 45 23 24 ar 46 23 28 ar 47 24 25 1 48 24 26 ar 49 25 63 1 50 25 64 1 51 25 65 1 52 26 27 ar 53 27 28 ar 54 27 66 1 55 28 29 2 56 29 30 1 57 29 67 1 58 30 32 ar 59 30 31 ar 60 31 40 ar 61 31 68 1 62 32 33 1 63 32 38 ar 64 33 34 1 65 33 69 1 66 33 70 1 67 34 35 1 68 34 71 1 69 34 72 1 70 35 37 2 71 35 36 1 72 36 73 1 73 38 39 1 74 38 40 ar 75 39 74 1 76 39 75 1 77 39 76 1 78 40 41 1 79 41 77 1 80 43 78 1 81 44 46 2 82 44 45 2