@MOLECULE n-[(5s)-5-amino-5-carboxypentanoyl]-l-cysteinyl-4,4,4,4',4',4'-hexafluoro-l-valine 49 48 0 0 0 SMALL GASTEIGER @ATOM 1 O 7.4392 2.1113 0.6297 O.2 1 UNK1111111111 -0.5061 2 C 6.8667 1.3586 -0.1119 C.2 1 UNK1111111111 0.5690 3 O 7.2483 1.2056 -1.4013 O.3 1 UNK1111111111 -0.5582 4 C 5.6776 0.4594 0.2129 C.3 1 UNK1111111111 -0.0031 5 N 5.4026 0.4390 1.6540 N.3 1 UNK1111111111 -0.6230 6 C 4.4506 0.9777 -0.5644 C.3 1 UNK1111111111 -0.2717 7 C 3.2946 -0.0218 -0.4407 C.3 1 UNK1111111111 -0.2500 8 C 2.0008 0.5874 -0.9819 C.3 1 UNK1111111111 -0.3579 9 C 0.8861 -0.4138 -1.1375 C.2 1 UNK1111111111 0.6080 10 O 0.1039 -0.3912 -2.0729 O.2 1 UNK1111111111 -0.5828 11 N 0.7487 -1.3832 -0.1614 N.am 1 UNK1111111111 -0.6011 12 C -0.2768 -2.4139 -0.3002 C.3 1 UNK1111111111 0.0238 13 C 0.0475 -3.6519 0.5342 C.3 1 UNK1111111111 -0.3524 14 S 1.6528 -4.4111 0.1016 S.3 1 UNK1111111111 -0.1621 15 C -1.6149 -1.8338 0.2142 C.2 1 UNK1111111111 0.5492 16 O -2.0914 -2.0910 1.2967 O.2 1 UNK1111111111 -0.5125 17 N -2.2559 -0.9830 -0.6663 N.am 2 UNK2222222222 -0.5981 18 C -3.4705 -0.3191 -0.2368 C.3 2 UNK2222222222 0.0429 19 C -4.3405 -0.0656 -1.4672 C.2 2 UNK2222222222 0.5961 20 O -4.2991 -0.6045 -2.5331 O.2 2 UNK2222222222 -0.4294 21 O -5.2486 0.8978 -1.1723 O.3 2 UNK2222222222 -0.5716 22 C -3.2263 1.0046 0.5385 C.3 2 UNK2222222222 -0.2985 23 C -2.4851 0.7649 1.8670 C.3 2 UNK2222222222 0.5375 24 F -1.2258 0.3619 1.7333 F 2 UNK2222222222 -0.1854 25 F -2.4028 1.8730 2.6040 F 2 UNK2222222222 -0.1942 26 F -3.0694 -0.1266 2.6575 F 2 UNK2222222222 -0.1623 27 C -2.4633 2.0441 -0.2969 C.3 2 UNK2222222222 0.5367 28 F -2.9698 2.2138 -1.5154 F 2 UNK2222222222 -0.1841 29 F -2.4642 3.2580 0.2486 F 2 UNK2222222222 -0.1823 30 F -1.1790 1.7613 -0.4916 F 2 UNK2222222222 -0.1860 31 H 8.0205 1.7681 -1.6624 H 1 UNK1111111111 0.3595 32 H 5.9182 -0.5910 -0.1150 H 1 UNK1111111111 0.1798 33 H 6.1822 0.0869 2.1894 H 1 UNK1111111111 0.2617 34 H 5.1504 1.3497 2.0106 H 1 UNK1111111111 0.2639 35 H 4.1438 1.9706 -0.1817 H 1 UNK1111111111 0.1523 36 H 4.7182 1.1250 -1.6308 H 1 UNK1111111111 0.1607 37 H 3.5409 -0.9560 -0.9827 H 1 UNK1111111111 0.1494 38 H 3.1783 -0.3107 0.6267 H 1 UNK1111111111 0.1650 39 H 1.6557 1.4170 -0.3261 H 1 UNK1111111111 0.1811 40 H 2.1777 1.0603 -1.9760 H 1 UNK1111111111 0.1873 41 H 1.3433 -1.4134 0.6544 H 1 UNK1111111111 0.3334 42 H -0.3940 -2.6806 -1.3921 H 1 UNK1111111111 0.1820 43 H 0.0825 -3.4030 1.6195 H 1 UNK1111111111 0.1973 44 H -0.7722 -4.3944 0.4479 H 1 UNK1111111111 0.1828 45 H 1.4676 -4.6150 -1.2089 H 1 UNK1111111111 0.1576 46 H -1.8028 -0.6868 -1.5382 H 2 UNK2222222222 0.3680 47 H -4.0555 -1.0240 0.4437 H 2 UNK2222222222 0.2177 48 H -5.8548 1.1240 -1.9241 H 2 UNK2222222222 0.3717 49 H -4.2522 1.4338 0.7843 H 2 UNK2222222222 0.2384 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 31 1 5 4 5 1 6 4 6 1 7 4 32 1 8 5 33 1 9 5 34 1 10 6 7 1 11 6 35 1 12 6 36 1 13 7 8 1 14 7 37 1 15 7 38 1 16 8 9 1 17 8 39 1 18 8 40 1 19 9 10 2 20 9 11 am 21 11 12 1 22 11 41 1 23 12 13 1 24 12 15 1 25 12 42 1 26 13 14 1 27 13 43 1 28 13 44 1 29 14 45 1 30 15 16 2 31 15 17 am 32 17 18 1 33 17 46 1 34 18 19 1 35 18 22 1 36 18 47 1 37 19 20 2 38 19 21 1 39 21 48 1 40 22 23 1 41 22 27 1 42 22 49 1 43 23 24 1 44 23 25 1 45 23 26 1 46 27 28 1 47 27 29 1 48 27 30 1