@MOLECULE 1,3-bis[(5s)-5-amino-5-carboxypentyl]-4-methyl-1h-imidazol-3-ium 53 53 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 O1 4.6675 -0.0958 -1.7072 O.3 1 <1> -0.5535 2 O2 -1.3533 -2.9937 -2.0496 O.3 1 <1> -0.5518 3 O3 5.2974 1.3807 -0.1578 O.2 1 <1> -0.5234 4 O4 0.1264 -1.6354 -1.0872 O.2 1 <1> -0.5390 5 N1 -1.2987 2.4715 0.3331 N.pl3 1 <1> -0.2986 6 N2 -3.4918 1.8564 0.3436 N.pl3 1 <1> -0.2691 7 N3 4.7089 -0.5301 1.8922 N.3 1 <1> -0.6249 8 N4 -0.5065 -2.6459 1.4922 N.3 1 <1> -0.6214 9 C1 0.0910 2.3431 0.7605 C.3 1 <1> -0.0795 10 C2 -4.5202 0.8927 0.7410 C.3 1 <1> -0.0968 11 C3 0.6154 0.9013 0.6409 C.3 1 <1> -0.3168 12 C4 -4.2758 -0.5536 0.2660 C.3 1 <1> -0.2991 13 C5 2.1350 0.8537 0.8231 C.3 1 <1> -0.2599 14 C6 -2.9130 -1.0725 0.7312 C.3 1 <1> -0.2790 15 C7 -1.7122 2.2789 -1.0080 C.2 1 <1> 0.0959 16 C8 -2.3686 2.0901 1.1569 C.3 1 <1> -0.1572 17 C9 -3.0370 1.9102 -1.0027 C.2 1 <1> -0.1656 18 C10 2.6445 -0.5613 0.5240 C.3 1 <1> -0.2817 19 C11 -2.7756 -2.5769 0.4703 C.3 1 <1> -0.2847 20 C12 4.1789 -0.6907 0.5346 C.3 1 <1> -0.0016 21 C13 -1.3103 -3.0324 0.3271 C.3 1 <1> -0.0017 22 C14 -0.8203 2.5299 -2.1557 C.3 1 <1> -0.4363 23 C15 4.7722 0.3329 -0.4278 C.2 1 <1> 0.5859 24 C16 -0.7497 -2.4517 -0.9676 C.2 1 <1> 0.5907 25 H1 0.1712 2.7009 1.8120 H 1 <1> 0.1485 26 H2 0.7084 3.0339 0.1394 H 1 <1> 0.1517 27 H3 -5.4893 1.2593 0.3264 H 1 <1> 0.1453 28 H4 -4.6185 0.9196 1.8493 H 1 <1> 0.1445 29 H5 0.1127 0.2549 1.3806 H 1 <1> 0.1337 30 H6 0.3390 0.4868 -0.3519 H 1 <1> 0.1694 31 H7 -5.0873 -1.2006 0.6485 H 1 <1> 0.1431 32 H8 -4.3381 -0.6001 -0.8383 H 1 <1> 0.1469 33 H9 2.6195 1.5891 0.1513 H 1 <1> 0.1465 34 H10 2.4046 1.1556 1.8525 H 1 <1> 0.1410 35 H11 -2.1143 -0.5027 0.2110 H 1 <1> 0.1548 36 H12 -2.7766 -0.8568 1.8089 H 1 <1> 0.1465 37 H13 -2.3604 2.0856 2.2145 H 1 <1> 0.1724 38 H14 -3.7080 1.7446 -1.8152 H 1 <1> 0.1674 39 H15 2.2624 -0.8965 -0.4662 H 1 <1> 0.1756 40 H16 2.2302 -1.2720 1.2674 H 1 <1> 0.1552 41 H17 -3.3307 -2.8644 -0.4449 H 1 <1> 0.1605 42 H18 -3.2475 -3.1426 1.2997 H 1 <1> 0.1613 43 H19 4.4574 -1.7240 0.1782 H 1 <1> 0.1744 44 H20 -1.2769 -4.1576 0.2534 H 1 <1> 0.1785 45 H21 -0.4025 3.5499 -2.1280 H 1 <1> 0.1682 46 H22 0.0292 1.8281 -2.1758 H 1 <1> 0.1658 47 H23 -1.3524 2.4229 -3.1126 H 1 <1> 0.1611 48 H24 5.7138 -0.6057 1.9265 H 1 <1> 0.2581 49 H25 4.4342 0.3471 2.3098 H 1 <1> 0.2631 50 H26 0.4859 -2.7548 1.3317 H 1 <1> 0.2637 51 H27 -0.6797 -1.6900 1.7696 H 1 <1> 0.2596 52 H28 5.0203 0.5411 -2.3761 H 1 <1> 0.3541 53 H29 -1.0252 -2.6334 -2.9115 H 1 <1> 0.3580 @BOND 1 47 22 1 2 53 2 1 3 52 1 1 4 46 22 1 5 22 45 1 6 22 15 1 7 2 24 1 8 38 17 1 9 1 23 1 10 4 24 2 11 15 17 2 12 15 5 1 13 17 6 1 14 24 21 1 15 32 12 1 16 39 18 1 17 41 19 1 18 23 3 2 19 23 20 1 20 30 11 1 21 26 9 1 22 33 13 1 23 43 20 1 24 35 14 1 25 44 21 1 26 12 31 1 27 12 14 1 28 12 10 1 29 27 10 1 30 21 19 1 31 21 8 1 32 5 9 1 33 5 16 1 34 6 10 1 35 6 16 1 36 19 14 1 37 19 42 1 38 18 20 1 39 18 13 1 40 18 40 1 41 20 7 1 42 11 9 1 43 11 13 1 44 11 29 1 45 14 36 1 46 10 28 1 47 9 25 1 48 13 34 1 49 16 37 1 50 50 8 1 51 8 51 1 52 7 48 1 53 7 49 1