@MOLECULE n-{[(2s,3s,4s)-2-carboxy-4-isopropenyl-3-pyrrolidinyl]acetyl}glutamic acid 46 46 0 0 0 SMALL GASTEIGER @ATOM 1 O1 1.4466 2.8374 -0.0988 O.3 1 <1> -0.5392 2 O2 3.0247 2.4629 1.4332 O.2 1 <1> -0.5088 3 O3 0.0445 0.3963 -2.4760 O.2 1 <1> -0.5099 4 O4 -1.7652 1.3336 1.6532 O.3 1 <1> -0.5856 5 O5 -2.4365 3.0651 0.4212 O.2 1 <1> -0.4786 6 O6 -5.4437 -1.9370 1.2304 O.3 1 <1> -0.5710 7 O7 -5.7531 -1.2434 -0.8647 O.2 1 <1> -0.4992 8 N1 4.2861 0.7351 -0.5200 N.3 1 <1> -0.5114 9 N2 -0.8772 0.0025 -0.4490 N.am 1 <1> -0.6099 10 C1 2.1310 -0.3247 0.1000 C.3 1 <1> -0.1100 11 C2 3.3196 -1.2033 0.5837 C.3 1 <1> -0.1784 12 C3 2.8186 0.9555 -0.4770 C.3 1 <1> -0.0475 13 C4 4.5022 -0.7137 -0.2874 C.3 1 <1> -0.1145 14 C5 1.2892 -1.0126 -0.9762 C.3 1 <1> -0.3855 15 C6 3.0360 -2.6726 0.5323 C.2 1 <1> 0.0567 16 C7 2.4873 2.1406 0.4061 C.2 1 <1> 0.5991 17 C8 0.1284 -0.1411 -1.3941 C.2 1 <1> 0.5929 18 C9 2.2360 -3.1803 1.6901 C.3 1 <1> -0.4651 19 C10 3.4561 -3.4908 -0.4345 C.2 1 <1> -0.3714 20 C11 -1.9754 0.9296 -0.6870 C.3 1 <1> 0.0395 21 C12 -3.3234 0.2066 -0.8678 C.3 1 <1> -0.2856 22 C13 -3.6988 -0.6727 0.3236 C.3 1 <1> -0.3455 23 C14 -2.0912 1.9181 0.4681 C.2 1 <1> 0.6037 24 C15 -5.0495 -1.2760 0.1089 C.2 1 <1> 0.6443 25 H1 1.4877 -0.0699 0.9711 H 1 <1> 0.1451 26 H2 3.5440 -0.9274 1.6481 H 1 <1> 0.1588 27 H3 2.4846 1.1548 -1.5360 H 1 <1> 0.2085 28 H4 4.5137 -1.2115 -1.2814 H 1 <1> 0.1563 29 H5 5.4817 -0.9045 0.1851 H 1 <1> 0.1401 30 H6 4.7665 1.2995 0.1846 H 1 <1> 0.2706 31 H7 1.9161 -1.2359 -1.8708 H 1 <1> 0.1957 32 H8 0.9311 -2.0040 -0.6297 H 1 <1> 0.1786 33 H9 2.8702 -3.2890 2.5837 H 1 <1> 0.1638 34 H10 1.4136 -2.5049 1.9585 H 1 <1> 0.1532 35 H11 1.7950 -4.1676 1.4962 H 1 <1> 0.1583 36 H12 4.0401 -3.1834 -1.2862 H 1 <1> 0.1527 37 H13 3.2504 -4.5494 -0.4481 H 1 <1> 0.1512 38 H14 -0.8144 -0.4021 0.4717 H 1 <1> 0.3229 39 H15 -1.7587 1.5299 -1.6305 H 1 <1> 0.2125 40 H16 1.2094 3.6459 0.4235 H 1 <1> 0.3599 41 H17 -3.2780 -0.4113 -1.7934 H 1 <1> 0.1807 42 H18 -4.1229 0.9534 -1.0666 H 1 <1> 0.1733 43 H19 -2.9532 -1.4857 0.4725 H 1 <1> 0.1839 44 H20 -3.6839 -0.0982 1.2785 H 1 <1> 0.1928 45 H21 -1.8055 1.9472 2.4276 H 1 <1> 0.3639 46 H22 -6.3326 -2.3615 1.1502 H 1 <1> 0.3582 @BOND 1 1 16 1 2 1 40 1 3 2 16 2 4 3 17 2 5 4 23 1 6 4 45 1 7 5 23 2 8 6 24 1 9 6 46 1 10 7 24 2 11 8 12 1 12 8 13 1 13 8 30 1 14 9 17 am 15 9 20 1 16 9 38 1 17 10 11 1 18 10 12 1 19 10 14 1 20 10 25 1 21 11 13 1 22 11 15 1 23 11 26 1 24 12 16 1 25 12 27 1 26 13 28 1 27 13 29 1 28 14 17 1 29 14 31 1 30 14 32 1 31 15 18 1 32 15 19 2 33 18 33 1 34 18 34 1 35 18 35 1 36 19 36 1 37 19 37 1 38 20 21 1 39 20 23 1 40 20 39 1 41 21 22 1 42 21 41 1 43 21 42 1 44 22 24 1 45 22 43 1 46 22 44 1