@MOLECULE 3,3'-[7,12-bis(1-methoxyethyl)-3,8,13,17-tetramethyl-2,18-porphyrindiyl]dipropanoic acid 50 51 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -7.4351 -3.4943 -4.0406 O.3 1 UNL1 -0.2274 2 O -5.7532 3.8944 2.1763 O.2 1 UNL1 -0.5399 3 O 6.8872 2.1425 -3.9000 O.2 2 UNL2 -0.3805 4 O 7.2509 -0.8245 3.6486 O.2 3 UNL3 -0.3619 5 O 5.4527 1.1012 -5.4211 O.2 2 UNL2 -0.3801 6 O 7.6500 -2.1924 1.7961 O.2 3 UNL3 -0.3714 7 N -2.0140 1.5531 -0.2636 N.2 1 UNL1 -0.3705 8 N -2.3893 -1.4304 0.8127 N.ar 1 UNL1 -0.3599 9 N 1.1163 1.2355 0.4813 N.ar 1 UNL1 -0.3450 10 N 0.7109 -1.9179 0.2692 N.2 1 UNL1 -0.2807 11 C -3.7368 -2.5528 -0.7647 C.ar 1 UNL1 -0.1771 12 C -2.9036 3.1231 1.2955 C.2 1 UNL1 0.4159 13 C -3.4009 -1.2267 -0.1784 C.ar 1 UNL1 0.2799 14 C -3.2332 1.1827 0.0284 C.2 1 UNL1 0.3632 15 C -3.8973 2.1164 0.9970 C.2 1 UNL1 -0.7193 16 C -1.6653 2.6705 0.5494 C.2 1 UNL1 0.1047 17 C -2.7572 -3.4950 -0.2114 C.ar 1 UNL1 -0.5506 18 C -1.9870 -2.6721 0.7673 C.ar 1 UNL1 0.3394 19 C -3.8619 -0.0092 -0.5190 C.2 1 UNL1 -0.3001 20 C -4.6971 -2.8016 -1.6276 C.3 1 UNL1 0.3403 21 C -2.9546 4.2019 2.0624 C.1 1 UNL1 -0.7946 22 C 2.4525 1.8758 -1.3826 C.ar 1 UNL1 0.4261 23 C -0.4096 3.1189 0.6978 C.2 1 UNL1 -0.1823 24 C 0.6973 2.4023 0.0735 C.ar 1 UNL1 0.3400 25 C 2.6180 -2.1391 1.6145 C.2 1 UNL1 0.3994 26 C 1.4593 2.9069 -1.1110 C.ar 1 UNL1 -0.6870 27 C 0.3621 -2.7671 1.3748 C.2 1 UNL1 0.2699 28 C -0.8965 -3.1811 1.5921 C.2 1 UNL1 -0.2669 29 C 1.5747 -2.9794 2.1996 C.2 1 UNL1 -0.6798 30 C 2.1203 0.7656 -0.4199 C.ar 1 UNL1 0.0859 31 C 1.9329 -1.4981 0.4123 C.2 1 UNL1 0.1674 32 C -5.1385 1.8996 1.4500 C.3 1 UNL1 0.6405 33 C -2.5208 -4.7557 -0.5284 C.3 1 UNL1 0.4698 34 C 3.4270 1.8663 -2.2759 C.1 1 UNL1 -0.7018 35 C 2.5541 -0.5042 -0.4511 C.2 1 UNL1 -0.1197 36 C 3.8688 -1.9699 1.9846 C.1 1 UNL1 -0.6982 37 C -5.6302 -3.0361 -2.4518 C.1 1 UNL1 -0.5587 38 C -2.8383 5.2288 2.8104 C.1 1 UNL1 0.3357 39 C 1.2200 4.0193 -1.7967 C.3 1 UNL1 0.5957 40 C 1.6928 -3.7170 3.2978 C.3 1 UNL1 0.5804 41 C 4.3763 1.8162 -3.1120 C.1 1 UNL1 0.2770 42 C 5.0821 -1.7575 2.3028 C.1 1 UNL1 0.3207 43 C -6.5801 -3.2745 -3.2917 C.1 1 UNL1 0.5904 44 C -5.2805 4.8881 2.5120 C.2 1 UNL1 0.5362 45 C 6.0890 1.6300 -4.5898 C.1 2 UNL2 0.7141 46 C 7.3696 -1.5104 2.7070 C.1 3 UNL3 0.7024 47 H -4.6480 0.1417 -1.2546 H 1 UNL1 0.1879 48 H -0.1624 3.9733 1.3308 H 1 UNL1 0.1916 49 H -1.1782 -3.8331 2.4151 H 1 UNL1 0.1801 50 H 3.3408 -0.8451 -1.1301 H 1 UNL1 0.1988 @BOND 1 5 45 2 2 45 3 2 3 1 43 1 4 43 37 3 5 41 34 3 6 37 20 1 7 34 22 1 8 39 26 1 9 20 11 1 10 22 26 ar 11 22 30 ar 12 47 19 1 13 50 35 1 14 26 24 ar 15 11 17 ar 16 11 13 ar 17 33 17 1 18 19 13 2 19 19 14 1 20 35 30 1 21 35 31 2 22 30 9 ar 23 7 14 2 24 7 16 1 25 17 18 ar 26 13 8 ar 27 14 15 1 28 24 9 ar 29 24 23 1 30 10 31 1 31 10 27 2 32 31 25 1 33 16 23 2 34 16 12 1 35 23 48 1 36 18 8 ar 37 18 28 2 38 15 12 2 39 15 32 1 40 12 21 1 41 27 28 1 42 27 29 1 43 28 49 1 44 25 36 1 45 25 29 2 46 6 46 2 47 36 42 3 48 21 38 3 49 2 44 2 50 29 40 1 51 46 4 2