@MOLECULE (2r,3s)-2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-2,3-dihydro-2,3-porphyrindiol 78 82 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O -4.5564 1.1938 -1.1322 O.2 1 UNL1 -0.5550 2 O -4.8149 -1.3107 -0.5768 O.2 1 UNL1 -0.5481 3 N -1.7538 0.0773 0.0765 N.2 1 UNL1 -0.4574 4 N 0.4021 2.1198 0.1146 N.ar 1 UNL1 -0.2125 5 N 0.2849 -2.0720 0.0431 N.ar 1 UNL1 -0.4322 6 N 2.4018 -0.0670 0.0782 N.2 1 UNL1 -0.4666 7 C -4.0237 0.9278 0.1542 C.2 1 UNL1 0.1973 8 C -4.0233 -0.6387 0.3595 C.2 1 UNL1 0.2079 9 C -2.5246 1.2602 0.1510 C.2 1 UNL1 0.0208 10 C -4.8682 1.7405 1.1270 C.3 1 UNL1 -0.2699 11 C -2.5310 -0.9813 0.1102 C.2 1 UNL1 0.2258 12 C -4.4219 -1.1278 1.7420 C.3 1 UNL1 -0.4749 13 C -2.0580 2.5219 0.1173 C.2 1 UNL1 -0.1470 14 C -2.1531 -2.3451 -0.0337 C.2 1 UNL1 -0.3599 15 C -6.3609 1.5302 0.8777 C.3 1 UNL1 -0.4296 16 C -0.6962 2.9532 0.0500 C.ar 1 UNL1 0.0391 17 C -0.8835 -2.8220 -0.0786 C.ar 1 UNL1 0.2696 18 C -0.4611 -4.2468 -0.2170 C.ar 1 UNL1 -0.0616 19 C -0.2269 4.2905 -0.0840 C.ar 1 UNL1 -0.0688 20 C 1.1768 4.2417 -0.1014 C.ar 1 UNL1 -0.0651 21 C 0.8945 -4.2948 -0.1767 C.ar 1 UNL1 -0.0230 22 C 1.5600 2.8763 0.0225 C.ar 1 UNL1 -0.0094 23 C 1.4119 -2.9015 -0.0379 C.ar 1 UNL1 0.2266 24 C -1.4322 -5.3468 -0.3916 C.3 1 UNL1 -0.2503 25 C 2.1037 5.3851 -0.2509 C.3 1 UNL1 -0.2417 26 C -1.0565 5.5045 -0.1906 C.3 1 UNL1 -0.4234 27 C 2.8859 2.3601 0.0624 C.2 1 UNL1 -0.0715 28 C 2.7061 -2.5090 0.0005 C.2 1 UNL1 -0.3126 29 C 3.1672 -1.1550 0.0710 C.2 1 UNL1 0.2293 30 C 3.2687 1.0638 0.0998 C.2 1 UNL1 0.0488 31 C 4.6111 -0.7937 0.1194 C.2 1 UNL1 -0.1286 32 C 1.7973 -5.4521 -0.2546 C.3 1 UNL1 -0.4392 33 C 4.6695 0.5672 0.1390 C.2 1 UNL1 -0.0063 34 C -1.9687 -5.3520 -1.8273 C.3 1 UNL1 -0.4285 35 C 2.5772 5.4974 -1.7052 C.3 1 UNL1 -0.4285 36 C 5.7198 -1.7680 0.1687 C.3 1 UNL1 -0.2429 37 C 5.8653 1.4231 0.1912 C.3 1 UNL1 -0.4397 38 C 5.8764 -2.3212 1.5903 C.3 1 UNL1 -0.4292 39 H -2.7862 3.3469 0.1305 H 1 UNL1 0.1702 40 H -2.9880 -3.0498 -0.1265 H 1 UNL1 0.1951 41 H 3.6696 3.1340 0.0550 H 1 UNL1 0.1661 42 H 3.4890 -3.2710 -0.0382 H 1 UNL1 0.1782 43 H -3.8649 1.0766 -1.8224 H 1 UNL1 0.3304 44 H -5.2677 -0.6628 -1.1715 H 1 UNL1 0.3437 45 H 0.3710 1.1146 0.1821 H 1 UNL1 0.3517 46 H 0.3238 -1.0611 0.0892 H 1 UNL1 0.3726 47 H -4.6302 2.8194 1.0148 H 1 UNL1 0.1519 48 H -4.6017 1.4816 2.1697 H 1 UNL1 0.1500 49 H -5.4586 -0.8633 1.9814 H 1 UNL1 0.1618 50 H -3.7693 -0.7223 2.5238 H 1 UNL1 0.1601 51 H -4.3605 -2.2252 1.7902 H 1 UNL1 0.1673 52 H -6.6530 1.9222 -0.1070 H 1 UNL1 0.1597 53 H -6.9670 2.0401 1.6329 H 1 UNL1 0.1385 54 H -6.6329 0.4681 0.8878 H 1 UNL1 0.1478 55 H -2.2747 -5.2450 0.3274 H 1 UNL1 0.1553 56 H -0.9699 -6.3289 -0.1589 H 1 UNL1 0.1452 57 H 2.9757 5.2800 0.4270 H 1 UNL1 0.1396 58 H 1.6092 6.3300 0.0569 H 1 UNL1 0.1422 59 H -2.1309 5.2853 -0.2528 H 1 UNL1 0.1488 60 H -0.7962 6.0862 -1.0891 H 1 UNL1 0.1542 61 H -0.9095 6.1666 0.6768 H 1 UNL1 0.1517 62 H 1.2579 -6.4040 -0.3664 H 1 UNL1 0.1578 63 H 2.4215 -5.5395 0.6504 H 1 UNL1 0.1667 64 H 2.4841 -5.3720 -1.1138 H 1 UNL1 0.1681 65 H -2.4693 -4.4052 -2.0718 H 1 UNL1 0.1598 66 H -2.6950 -6.1570 -1.9774 H 1 UNL1 0.1425 67 H -1.1610 -5.4894 -2.5553 H 1 UNL1 0.1471 68 H 3.0844 4.5809 -2.0296 H 1 UNL1 0.1493 69 H 3.2681 6.3345 -1.8381 H 1 UNL1 0.1341 70 H 1.7281 5.6504 -2.3822 H 1 UNL1 0.1472 71 H 6.6714 -1.2975 -0.1574 H 1 UNL1 0.1436 72 H 5.5463 -2.5983 -0.5480 H 1 UNL1 0.1444 73 H 5.6287 2.4941 0.2581 H 1 UNL1 0.1557 74 H 6.4945 1.2864 -0.7037 H 1 UNL1 0.1622 75 H 6.4942 1.1774 1.0628 H 1 UNL1 0.1624 76 H 6.1226 -1.5215 2.2989 H 1 UNL1 0.1466 77 H 6.6698 -3.0725 1.6419 H 1 UNL1 0.1387 78 H 4.9465 -2.7850 1.9411 H 1 UNL1 0.1498 @BOND 1 67 34 1 2 70 35 1 3 65 34 1 4 68 35 1 5 66 34 1 6 69 35 1 7 34 24 1 8 43 1 1 9 35 25 1 10 44 2 1 11 1 7 1 12 64 32 1 13 60 26 1 14 74 37 1 15 2 8 1 16 72 36 1 17 24 18 1 18 24 56 1 19 24 55 1 20 62 32 1 21 32 21 1 22 32 63 1 23 59 26 1 24 25 20 1 25 25 58 1 26 25 57 1 27 18 21 ar 28 18 17 ar 29 26 19 1 30 26 61 1 31 21 23 ar 32 71 36 1 33 40 14 1 34 52 15 1 35 20 19 ar 36 20 22 ar 37 19 16 ar 38 17 14 1 39 17 5 ar 40 42 28 1 41 23 28 1 42 23 5 ar 43 14 11 2 44 28 29 2 45 22 27 2 46 22 4 ar 47 5 46 1 48 16 4 ar 49 16 13 2 50 41 27 1 51 27 30 1 52 29 6 1 53 29 31 1 54 3 11 1 55 3 9 2 56 6 30 2 57 30 33 1 58 11 8 1 59 4 45 1 60 13 39 1 61 13 9 1 62 31 33 2 63 31 36 1 64 33 37 1 65 9 7 1 66 7 8 2 67 7 10 1 68 36 38 1 69 37 73 1 70 37 75 1 71 8 12 1 72 15 54 1 73 15 10 1 74 15 53 1 75 47 10 1 76 10 48 1 77 38 77 1 78 38 78 1 79 38 76 1 80 12 51 1 81 12 49 1 82 12 50 1