@MOLECULE 3,3'-[7,12-bis(1-hydroxyethyl)-3,8,13,17,21-pentamethyl-2,18-porphyrindiyl]dipropanoic acid 49 55 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O 6.1386 1.6834 1.7675 O.2 1 UNL1 -0.1872 2 O 3.8883 -6.5303 -1.0970 O.3 1 UNL1 -0.2485 3 O -6.4330 -4.2611 1.7340 O.co2 1 UNL1 -0.5706 4 O -6.2398 -4.7242 -0.4952 O.co2 1 UNL1 -0.5641 5 O -6.4715 3.8648 -2.5229 O.co2 1 UNL1 -0.6030 6 O -7.0380 4.0516 -0.3298 O.co2 1 UNL1 -0.6051 7 N -0.4120 -0.9417 0.5674 N.ar 1 UNL1 -0.4267 8 N 2.3628 2.0779 -0.4578 N.2 1 UNL1 -0.4054 9 N -0.6374 1.4006 0.4438 N.ar 1 UNL1 -0.3225 10 N 2.6997 -0.7396 -0.1440 N.ar 1 UNL1 -0.3870 11 C -2.2237 -2.4481 0.6390 C.ar 1 UNL1 0.4744 12 C -1.8469 -1.0880 0.3873 C.ar 1 UNL1 -0.1370 13 C 0.1311 -2.2506 0.7178 C.ar 1 UNL1 0.4036 14 C -0.9991 -3.1692 0.9534 C.ar 1 UNL1 -0.6893 15 C -3.4565 -2.9890 0.6111 C.1 1 UNL1 -0.5624 16 C -2.6292 -0.0084 0.0795 C.2 1 UNL1 0.0831 17 C -2.0283 1.2597 0.0633 C.ar 1 UNL1 -0.1721 18 C -2.5860 2.5259 -0.1685 C.ar 1 UNL1 0.4062 19 C 1.3881 -2.7101 0.5146 C.2 1 UNL1 -0.3514 20 C 4.4396 2.8719 0.3057 C.2 1 UNL1 -0.4827 21 C 2.4861 -2.0270 -0.0889 C.ar 1 UNL1 0.2510 22 C 3.5500 -2.8060 -0.8725 C.ar 1 UNL1 0.3433 23 C 3.6572 1.8789 -0.5283 C.2 1 UNL1 0.4005 24 C 2.0989 3.0715 0.5124 C.2 1 UNL1 0.3992 25 C 3.3819 3.6537 0.9738 C.2 1 UNL1 -0.5401 26 C -1.5104 3.4930 0.1079 C.ar 1 UNL1 -0.6870 27 C 4.3723 -1.7513 -1.4780 C.ar 1 UNL1 -0.6795 28 C -0.3439 2.7214 0.5043 C.ar 1 UNL1 0.4539 29 C 3.8300 -0.4754 -0.9820 C.ar 1 UNL1 0.3728 30 C -0.9674 -4.4517 1.3499 C.3 1 UNL1 0.6770 31 C 0.2481 0.2599 0.7072 C.3 1 UNL1 0.5757 32 C -3.8411 2.8794 -0.5515 C.1 1 UNL1 -0.5306 33 C 4.2964 0.7739 -1.2004 C.2 1 UNL1 -0.3774 34 C 0.8537 3.3704 0.9489 C.2 1 UNL1 -0.4487 35 C 5.7502 2.4210 0.9353 C.2 1 UNL1 0.1513 36 C 3.7852 -5.3757 -1.0299 C.1 1 UNL1 0.5584 37 C -4.5880 -3.4949 0.5784 C.1 1 UNL1 0.3230 38 C 3.4935 4.6396 1.8527 C.3 1 UNL1 0.4937 39 C -1.6947 4.8146 -0.0707 C.3 1 UNL1 0.7245 40 C 5.3799 -1.9677 -2.3169 C.3 1 UNL1 0.5895 41 C -4.9743 3.2145 -0.8959 C.1 1 UNL1 0.2682 42 C 5.7704 3.4450 -0.1548 C.3 1 UNL1 0.4439 43 C 3.6733 -4.1006 -0.9546 C.1 1 UNL1 -0.6182 44 C -5.9980 -4.2814 0.6041 C.2 1 UNL1 0.7083 45 C -6.3717 3.7793 -1.3125 C.2 1 UNL1 0.7016 46 H -3.7105 -0.1072 -0.1201 H 1 UNL1 0.2218 47 H 1.5988 -3.7688 0.7264 H 1 UNL1 0.1952 48 H 5.1428 0.9845 -1.8438 H 1 UNL1 0.1818 49 H 0.7010 4.1567 1.6916 H 1 UNL1 0.1944 @BOND 1 5 45 ar 2 40 27 1 3 48 33 1 4 27 29 ar 5 27 22 ar 6 45 41 1 7 45 6 ar 8 33 29 1 9 33 23 2 10 2 36 1 11 36 43 3 12 29 10 ar 13 43 22 1 14 41 32 3 15 22 21 ar 16 32 18 1 17 23 8 1 18 23 20 1 19 4 44 ar 20 8 24 2 21 18 17 ar 22 18 26 ar 23 42 20 1 24 42 35 1 25 10 21 ar 26 46 16 1 27 21 19 1 28 39 26 1 29 17 16 2 30 17 9 ar 31 16 12 1 32 26 28 ar 33 20 35 1 34 20 25 2 35 12 7 ar 36 12 11 ar 37 9 28 ar 38 9 31 1 39 28 34 2 40 24 34 1 41 24 25 1 42 19 13 2 43 19 47 1 44 7 31 1 45 7 13 ar 46 37 44 1 47 37 15 3 48 44 3 ar 49 15 11 1 50 11 14 ar 51 13 14 ar 52 35 1 2 53 34 49 1 54 14 30 1 55 25 38 1