@MOLECULE (5r,8s)-8-(3-carbamimidamidophenyl)-6-hydroxy-3-oxo-5-pentyl-1-phenyl-2,7-dioxa-4-aza-6-phosphanonan-9-oic acid 6-oxide 66 67 0 0 0 SMALL GASTEIGER @ATOM 1 C 6.7203 2.3551 -2.0199 C.ar 1 UNL1111111111 -0.1596 2 C 8.0376 2.6699 -1.6938 C.ar 1 UNL1111111111 -0.1452 3 C 8.4194 2.7843 -0.3578 C.ar 1 UNL1111111111 -0.1494 4 C 7.4810 2.5901 0.6546 C.ar 1 UNL1111111111 -0.1474 5 C 6.1602 2.2844 0.3334 C.ar 1 UNL1111111111 -0.1333 6 C 5.7823 2.1640 -1.0047 C.ar 1 UNL1111111111 -0.0346 7 C 4.3644 1.8311 -1.3494 C.3 1 UNL1111111111 -0.0156 8 O 3.9916 0.8316 -0.3855 O.3 1 UNL1111111111 -0.4289 9 C 2.7341 0.3218 -0.5676 C.2 1 UNL1111111111 0.7145 10 O 1.9804 0.6616 -1.4516 O.2 1 UNL1111111111 -0.5516 11 N 2.5177 -0.6748 0.3630 N.am 1 UNL1111111111 -0.5553 12 C 1.1698 -1.2400 0.4977 C.3 1 UNL1111111111 0.1811 13 C 1.2785 -2.7746 0.7189 C.3 1 UNL1111111111 -0.2604 14 C 1.6436 -3.4478 -0.6122 C.3 1 UNL1111111111 -0.2752 15 C 1.6860 -4.9708 -0.4410 C.3 1 UNL1111111111 -0.2710 16 C 2.0182 -5.6587 -1.7715 C.3 1 UNL1111111111 -0.2567 17 C 2.0298 -7.1788 -1.6102 C.3 1 UNL1111111111 -0.4436 18 P 0.2404 -0.3028 1.8605 P.3 1 UNL1111111111 0.2412 19 O 0.7866 0.8914 2.4946 O.2 1 UNL1111111111 -0.2964 20 O -0.1953 -1.4865 2.8338 O.3 1 UNL1111111111 -0.4010 21 O -1.0807 -0.0889 0.9425 O.3 1 UNL1111111111 -0.3594 22 C -2.1572 0.7783 1.2341 C.3 1 UNL1111111111 0.0915 23 C -2.7789 0.5454 2.6106 C.2 1 UNL1111111111 0.6214 24 O -2.5394 -0.2943 3.4429 O.2 1 UNL1111111111 -0.5275 25 O -3.7377 1.4744 2.8359 O.3 1 UNL1111111111 -0.5542 26 C -3.1985 0.4264 0.1926 C.ar 1 UNL1111111111 0.0174 27 C -4.1684 1.3778 -0.1151 C.ar 1 UNL1111111111 -0.2635 28 C -3.1909 -0.8158 -0.4373 C.ar 1 UNL1111111111 -0.1713 29 C -4.1587 -1.1020 -1.4010 C.ar 1 UNL1111111111 -0.1003 30 C -5.1369 -0.1708 -1.7238 C.ar 1 UNL1111111111 -0.2411 31 C -5.1513 1.0711 -1.0687 C.ar 1 UNL1111111111 0.2313 32 N -6.1096 2.0557 -1.3720 N.pl3 1 UNL1111111111 -0.6279 33 C -7.4313 1.8041 -1.8308 C.cat 1 UNL1111111111 0.5767 34 N -8.1378 2.6366 -2.5211 N.pl3 1 UNL1111111111 -0.6760 35 N -7.9744 0.5546 -1.5001 N.pl3 1 UNL1111111111 -0.6348 36 H 6.4287 2.2583 -3.0635 H 1 UNL1111111111 0.1520 37 H 8.7701 2.8236 -2.4834 H 1 UNL1111111111 0.1488 38 H 9.4498 3.0255 -0.1057 H 1 UNL1111111111 0.1489 39 H 7.7788 2.6797 1.6975 H 1 UNL1111111111 0.1505 40 H 5.4227 2.1335 1.1227 H 1 UNL1111111111 0.1666 41 H 3.6850 2.6991 -1.2299 H 1 UNL1111111111 0.1531 42 H 4.2405 1.4121 -2.3656 H 1 UNL1111111111 0.1477 43 H 3.1979 -0.8277 1.1019 H 1 UNL1111111111 0.3281 44 H 0.5857 -1.0433 -0.4771 H 1 UNL1111111111 0.2131 45 H 2.0357 -3.0258 1.4894 H 1 UNL1111111111 0.1533 46 H 0.3239 -3.2060 1.0964 H 1 UNL1111111111 0.1720 47 H 0.9102 -3.1764 -1.3954 H 1 UNL1111111111 0.1411 48 H 2.6217 -3.0759 -0.9736 H 1 UNL1111111111 0.1481 49 H 2.4358 -5.2484 0.3232 H 1 UNL1111111111 0.1365 50 H 0.7152 -5.3397 -0.0597 H 1 UNL1111111111 0.1362 51 H 1.2829 -5.3676 -2.5455 H 1 UNL1111111111 0.1340 52 H 3.0009 -5.3109 -2.1432 H 1 UNL1111111111 0.1364 53 H 2.7633 -7.4976 -0.8607 H 1 UNL1111111111 0.1435 54 H 1.0506 -7.5564 -1.2951 H 1 UNL1111111111 0.1419 55 H 2.2857 -7.6770 -2.5521 H 1 UNL1111111111 0.1422 56 H -1.0368 -1.1964 3.3553 H 1 UNL1111111111 0.3630 57 H -1.8322 1.8519 1.1397 H 1 UNL1111111111 0.1807 58 H -4.1811 1.3877 3.7173 H 1 UNL1111111111 0.3600 59 H -4.1755 2.3385 0.3961 H 1 UNL1111111111 0.1718 60 H -2.4361 -1.5622 -0.1899 H 1 UNL1111111111 0.1765 61 H -4.1459 -2.0661 -1.9088 H 1 UNL1111111111 0.1504 62 H -5.8797 -0.3956 -2.4896 H 1 UNL1111111111 0.1809 63 H -5.8657 3.0197 -1.1785 H 1 UNL1111111111 0.3242 64 H -7.7517 3.4780 -2.9003 H 1 UNL1111111111 0.2900 65 H -7.6757 0.1284 -0.6436 H 1 UNL1111111111 0.2988 66 H -8.9501 0.4301 -1.7256 H 1 UNL1111111111 0.3157 @BOND 1 1 6 ar 2 1 2 ar 3 1 36 1 4 2 3 ar 5 2 37 1 6 3 4 ar 7 3 38 1 8 4 5 ar 9 4 39 1 10 5 6 ar 11 5 40 1 12 6 7 1 13 7 8 1 14 7 41 1 15 7 42 1 16 8 9 1 17 9 11 am 18 9 10 2 19 11 12 1 20 11 43 1 21 12 13 1 22 12 18 1 23 12 44 1 24 13 14 1 25 13 45 1 26 13 46 1 27 14 15 1 28 14 47 1 29 14 48 1 30 15 16 1 31 15 49 1 32 15 50 1 33 16 17 1 34 16 51 1 35 16 52 1 36 17 53 1 37 17 54 1 38 17 55 1 39 18 19 2 40 18 21 1 41 18 20 1 42 20 56 1 43 21 22 1 44 22 26 1 45 22 23 1 46 22 57 1 47 23 24 2 48 23 25 1 49 25 58 1 50 26 28 ar 51 26 27 ar 52 27 31 ar 53 27 59 1 54 28 29 ar 55 28 60 1 56 29 30 ar 57 29 61 1 58 30 31 ar 59 30 62 1 60 31 32 1 61 32 33 1 62 32 63 1 63 33 35 1 64 33 34 2 65 34 64 1 66 35 65 1 67 35 66 1