@MOLECULE 5,10,15,20,22,24-hexahydro-3,8,13,17-tetramethyl-2,7,12,18-porphinetetrapropionic acid 92 96 0 0 0 SMALL GASTEIGER @ATOM 1 O 4.5333 5.6522 0.0620 O.3 1 UNL11 -0.5792 2 O 1.8602 -5.1992 2.0772 O.3 1 UNL11 -0.5705 3 O -0.8646 -6.0800 -0.3580 O.3 1 UNL11 -0.5678 4 O -8.0890 3.1491 -0.0555 O.3 1 UNL11 -0.5738 5 O 6.2676 4.6822 -0.9456 O.2 1 UNL11 -0.5023 6 O 2.4629 -4.4976 4.1035 O.2 1 UNL11 -0.5140 7 O -0.1230 -6.1010 -2.4570 O.2 1 UNL11 -0.5192 8 O -7.6981 1.0570 -0.7053 O.2 1 UNL11 -0.5143 9 N 2.4498 -0.5921 -1.0180 N.ar 1 UNL11 -0.3117 10 N 1.6180 1.5036 1.6948 N.ar 1 UNL11 -0.3414 11 N -0.5232 0.3748 -2.5720 N.ar 1 UNL11 -0.3412 12 N -1.4401 1.8978 0.2917 N.ar 1 UNL11 -0.3466 13 C 3.3576 0.2430 -0.3807 C.ar 1 UNL11 0.0305 14 C 2.3784 0.3492 1.8575 C.ar 1 UNL11 0.0335 15 C 0.0646 -0.8603 -2.8309 C.ar 1 UNL11 0.0332 16 C 3.6186 0.1279 1.0748 C.3 1 UNL11 -0.2718 17 C 2.3871 -0.2460 -2.3659 C.ar 1 UNL11 0.0048 18 C -2.6495 1.5388 -0.3033 C.ar 1 UNL11 0.0570 19 C 1.4720 -0.9576 -3.2891 C.3 1 UNL11 -0.2724 20 C -1.8396 0.1652 -2.1622 C.ar 1 UNL11 0.0040 21 C 0.5031 1.4263 2.5303 C.ar 1 UNL11 0.0084 22 C -2.7349 1.2739 -1.7620 C.3 1 UNL11 -0.2703 23 C -1.6637 2.1128 1.6567 C.ar 1 UNL11 0.0297 24 C -0.5374 2.4808 2.5508 C.3 1 UNL11 -0.2687 25 C 3.8925 1.1137 -1.3344 C.ar 1 UNL11 -0.1288 26 C 1.7471 -0.4607 2.8044 C.ar 1 UNL11 -0.1227 27 C -0.8854 -1.8567 -2.5916 C.ar 1 UNL11 -0.1195 28 C -3.6424 1.5628 0.6748 C.ar 1 UNL11 -0.1227 29 C 3.2801 0.8048 -2.5882 C.ar 1 UNL11 -0.0666 30 C -2.0893 -1.2087 -2.1781 C.ar 1 UNL11 -0.0412 31 C 0.5606 0.2160 3.2231 C.ar 1 UNL11 -0.0419 32 C -3.0209 1.9371 1.9110 C.ar 1 UNL11 -0.0628 33 C 4.8937 2.1730 -1.0951 C.3 1 UNL11 -0.2325 34 C 2.2165 -1.7692 3.3023 C.3 1 UNL11 -0.2346 35 C -0.6952 -3.3145 -2.7383 C.3 1 UNL11 -0.2331 36 C -5.0695 1.2343 0.4823 C.3 1 UNL11 -0.2293 37 C 3.5688 1.4662 -3.8732 C.3 1 UNL11 -0.4220 38 C -3.3763 -1.8433 -1.8421 C.3 1 UNL11 -0.4253 39 C -0.4271 -0.2711 4.2023 C.3 1 UNL11 -0.4251 40 C -3.7131 2.0996 3.2026 C.3 1 UNL11 -0.4188 41 C 4.1836 3.4486 -0.6168 C.3 1 UNL11 -0.3348 42 C 1.6275 -2.9043 2.4528 C.3 1 UNL11 -0.3286 43 C -0.6070 -3.9785 -1.3562 C.3 1 UNL11 -0.3298 44 C -5.8468 2.4733 0.0136 C.3 1 UNL11 -0.3394 45 C 5.1375 4.5947 -0.5490 C.2 1 UNL11 0.6456 46 C 2.0354 -4.2273 3.0133 C.2 1 UNL11 0.6468 47 C -0.4870 -5.4586 -1.5077 C.2 1 UNL11 0.6484 48 C -7.2575 2.0983 -0.2952 C.2 1 UNL11 0.6471 49 H 4.0489 -0.8741 1.3131 H 1 UNL11 0.1784 50 H 4.4111 0.8503 1.3844 H 1 UNL11 0.1757 51 H 1.7744 -2.0291 -3.3874 H 1 UNL11 0.1810 52 H 1.5721 -0.5501 -4.3237 H 1 UNL11 0.1734 53 H -3.7890 1.0167 -2.0363 H 1 UNL11 0.1852 54 H -2.5167 2.2049 -2.3347 H 1 UNL11 0.1624 55 H -0.9093 2.6209 3.5951 H 1 UNL11 0.1791 56 H -0.1245 3.4762 2.2688 H 1 UNL11 0.1637 57 H 1.8778 -1.2755 -0.5736 H 1 UNL11 0.3167 58 H 1.8548 2.2688 1.1080 H 1 UNL11 0.3073 59 H -0.0659 1.2525 -2.6534 H 1 UNL11 0.3079 60 H -0.5472 1.6962 -0.0972 H 1 UNL11 0.3054 61 H 5.4776 2.3830 -2.0196 H 1 UNL11 0.1676 62 H 5.6558 1.8522 -0.3539 H 1 UNL11 0.1546 63 H 3.3254 -1.8256 3.3070 H 1 UNL11 0.1512 64 H 1.9280 -1.9059 4.3697 H 1 UNL11 0.1679 65 H 0.2109 -3.5542 -3.3341 H 1 UNL11 0.1565 66 H -1.5351 -3.7544 -3.3211 H 1 UNL11 0.1594 67 H -5.5090 0.8419 1.4248 H 1 UNL11 0.1551 68 H -5.1906 0.4075 -0.2542 H 1 UNL11 0.1625 69 H 3.6641 2.5566 -3.7598 H 1 UNL11 0.1547 70 H 2.7948 1.2837 -4.6295 H 1 UNL11 0.1464 71 H 4.5219 1.1064 -4.2956 H 1 UNL11 0.1597 72 H -4.1649 -1.5490 -2.5530 H 1 UNL11 0.1560 73 H -3.3252 -2.9402 -1.8613 H 1 UNL11 0.1543 74 H -3.7193 -1.5495 -0.8371 H 1 UNL11 0.1607 75 H -0.6060 -1.3518 4.0990 H 1 UNL11 0.1570 76 H -1.4025 0.2260 4.0854 H 1 UNL11 0.1566 77 H -0.0885 -0.0945 5.2345 H 1 UNL11 0.1550 78 H -4.0983 1.1349 3.5715 H 1 UNL11 0.1559 79 H -3.0594 2.5082 3.9847 H 1 UNL11 0.1450 80 H -4.5729 2.7811 3.1142 H 1 UNL11 0.1542 81 H 3.7109 3.2844 0.3735 H 1 UNL11 0.1711 82 H 3.3488 3.7031 -1.3085 H 1 UNL11 0.1842 83 H 1.9453 -2.8112 1.3940 H 1 UNL11 0.1720 84 H 0.5156 -2.8333 2.4316 H 1 UNL11 0.1894 85 H 0.2630 -3.5897 -0.7859 H 1 UNL11 0.1774 86 H -1.4947 -3.7135 -0.7376 H 1 UNL11 0.1908 87 H -5.7989 3.2758 0.7811 H 1 UNL11 0.1846 88 H -5.3700 2.9131 -0.8896 H 1 UNL11 0.1819 89 H 5.1063 6.4511 0.1424 H 1 UNL11 0.3565 90 H 2.1006 -6.1041 2.3884 H 1 UNL11 0.3547 91 H -0.7782 -7.0622 -0.3868 H 1 UNL11 0.3524 92 H -9.0379 2.9595 -0.2504 H 1 UNL11 0.3540 @BOND 1 1 45 1 2 1 89 1 3 2 46 1 4 2 90 1 5 3 47 1 6 3 91 1 7 4 48 1 8 4 92 1 9 5 45 2 10 6 46 2 11 7 47 2 12 8 48 2 13 9 13 ar 14 9 17 ar 15 9 57 1 16 10 14 ar 17 10 21 ar 18 10 58 1 19 11 15 ar 20 11 20 ar 21 11 59 1 22 12 18 ar 23 12 23 ar 24 12 60 1 25 13 16 1 26 13 25 ar 27 14 16 1 28 14 26 ar 29 15 19 1 30 15 27 ar 31 16 49 1 32 16 50 1 33 17 19 1 34 17 29 ar 35 18 22 1 36 18 28 ar 37 19 51 1 38 19 52 1 39 20 22 1 40 20 30 ar 41 21 24 1 42 21 31 ar 43 22 53 1 44 22 54 1 45 23 24 1 46 23 32 ar 47 24 55 1 48 24 56 1 49 25 29 ar 50 25 33 1 51 26 31 ar 52 26 34 1 53 27 30 ar 54 27 35 1 55 28 32 ar 56 28 36 1 57 29 37 1 58 30 38 1 59 31 39 1 60 32 40 1 61 33 41 1 62 33 61 1 63 33 62 1 64 34 42 1 65 34 63 1 66 34 64 1 67 35 43 1 68 35 65 1 69 35 66 1 70 36 44 1 71 36 67 1 72 36 68 1 73 37 69 1 74 37 70 1 75 37 71 1 76 38 72 1 77 38 73 1 78 38 74 1 79 39 75 1 80 39 76 1 81 39 77 1 82 40 78 1 83 40 79 1 84 40 80 1 85 41 45 1 86 41 81 1 87 41 82 1 88 42 46 1 89 42 83 1 90 42 84 1 91 43 47 1 92 43 85 1 93 43 86 1 94 44 48 1 95 44 87 1 96 44 88 1