@MOLECULE methyl n~5~-(diaminomethylene)-n~2~-[4-(5,7-difluoro-2-phenyl-1h-indol-3-yl)butanoyl]-l-ornithinate 64 66 0 0 0 SMALL GASTEIGER @ATOM 1 F -4.0132 -4.0855 -0.1353 F 1 UNL11 -0.1618 2 F 0.5270 -4.1019 0.9703 F 1 UNL11 -0.1684 3 O 1.1001 3.6734 1.5673 O.2 1 UNL11 -0.5483 4 O 5.5360 2.7272 0.3826 O.3 1 UNL11 -0.4076 5 O 4.4311 2.5126 -1.5682 O.2 1 UNL11 -0.4987 6 N -3.8957 -1.1184 -0.1129 N.ar 1 UNL11 -0.3407 7 N 2.0263 2.5892 -0.1828 N.am 1 UNL11 -0.6059 8 N 2.8057 -2.5012 -0.6505 N.pl3 1 UNL11 -0.5795 9 N 3.7749 -4.5650 0.2073 N.pl3 1 UNL11 -0.6768 10 N 2.5827 -4.4964 -1.8395 N.pl3 1 UNL11 -0.6234 11 C -2.0033 0.0718 0.3524 C.ar 1 UNL11 -0.1060 12 C -1.0839 1.2039 0.5835 C.3 1 UNL11 -0.2513 13 C -0.9263 2.0534 -0.6907 C.3 1 UNL11 -0.2496 14 C -1.6745 -1.3213 0.4122 C.ar 1 UNL11 0.0026 15 C -3.3598 0.1626 0.0396 C.ar 1 UNL11 0.0852 16 C -2.8841 -2.0404 0.1269 C.ar 1 UNL11 -0.0076 17 C -0.2784 3.4068 -0.3866 C.3 1 UNL11 -0.3651 18 C 3.2401 2.2788 0.5614 C.3 1 UNL11 0.0203 19 C 3.2759 0.8126 1.0444 C.3 1 UNL11 -0.3038 20 C -4.1882 1.3459 -0.1374 C.ar 1 UNL11 -0.0359 21 C 0.9795 3.2487 0.4366 C.2 1 UNL11 0.6077 22 C -0.4933 -2.0262 0.6858 C.ar 1 UNL11 -0.2042 23 C 3.0242 -0.1834 -0.0871 C.3 1 UNL11 -0.2741 24 C -2.8868 -3.4458 0.1315 C.ar 1 UNL11 0.1803 25 C -0.5640 -3.4045 0.6885 C.ar 1 UNL11 0.1923 26 C -1.7359 -4.1480 0.4143 C.ar 1 UNL11 -0.2754 27 C 4.4274 2.5167 -0.3663 C.2 1 UNL11 0.5660 28 C 3.3458 -1.6218 0.3716 C.3 1 UNL11 -0.0712 29 C -4.2957 2.2744 0.9019 C.ar 1 UNL11 -0.1263 30 C -4.8550 1.5642 -1.3458 C.ar 1 UNL11 -0.1499 31 C -5.0655 3.4213 0.7278 C.ar 1 UNL11 -0.1482 32 C -5.6253 2.7121 -1.5129 C.ar 1 UNL11 -0.1477 33 C -5.7298 3.6404 -0.4782 C.ar 1 UNL11 -0.1374 34 C 6.7479 2.9332 -0.3374 C.3 1 UNL11 -0.1679 35 C 3.0659 -3.7677 -0.7163 C.cat 1 UNL11 0.5230 36 H -1.4549 1.8390 1.4181 H 1 UNL11 0.1579 37 H -0.0889 0.8421 0.9224 H 1 UNL11 0.1604 38 H -1.9195 2.2224 -1.1551 H 1 UNL11 0.1507 39 H -0.3434 1.4898 -1.4434 H 1 UNL11 0.1481 40 H -0.9881 4.0502 0.1791 H 1 UNL11 0.1773 41 H -0.0652 3.9587 -1.3231 H 1 UNL11 0.1662 42 H -4.8475 -1.3331 -0.3049 H 1 UNL11 0.3228 43 H 3.3160 2.9661 1.4580 H 1 UNL11 0.2009 44 H 2.5120 0.6820 1.8390 H 1 UNL11 0.1628 45 H 4.2527 0.6185 1.5298 H 1 UNL11 0.1544 46 H 0.4395 -1.4947 0.8718 H 1 UNL11 0.1888 47 H 1.9430 2.1842 -1.1057 H 1 UNL11 0.3299 48 H 3.6249 0.0574 -0.9860 H 1 UNL11 0.1573 49 H 1.9684 -0.1388 -0.4263 H 1 UNL11 0.1631 50 H -1.7174 -5.2365 0.4334 H 1 UNL11 0.1905 51 H 4.4422 -1.7377 0.5094 H 1 UNL11 0.1135 52 H 2.8677 -1.8281 1.3573 H 1 UNL11 0.1348 53 H -3.7773 2.0970 1.8446 H 1 UNL11 0.1648 54 H -4.7621 0.8446 -2.1576 H 1 UNL11 0.1574 55 H -5.1489 4.1469 1.5355 H 1 UNL11 0.1553 56 H -6.1447 2.8851 -2.4539 H 1 UNL11 0.1533 57 H -6.3318 4.5375 -0.6120 H 1 UNL11 0.1509 58 H 7.4811 3.1021 0.4593 H 1 UNL11 0.1467 59 H 6.6571 3.8083 -0.9897 H 1 UNL11 0.1421 60 H 6.9913 2.0420 -0.9253 H 1 UNL11 0.1403 61 H 4.1423 -5.4411 -0.1157 H 1 UNL11 0.2957 62 H 4.3821 -4.0907 0.8468 H 1 UNL11 0.2901 63 H 2.0882 -5.3447 -1.6087 H 1 UNL11 0.2819 64 H 2.0456 -3.9246 -2.4831 H 1 UNL11 0.2974 @BOND 1 1 24 1 2 2 25 1 3 3 21 2 4 4 27 1 5 4 34 1 6 5 27 2 7 6 15 ar 8 6 16 ar 9 6 42 1 10 7 18 1 11 7 21 am 12 7 47 1 13 8 28 1 14 8 35 2 15 9 35 1 16 9 61 1 17 9 62 1 18 10 35 1 19 10 63 1 20 10 64 1 21 11 12 1 22 11 14 ar 23 11 15 ar 24 12 13 1 25 12 36 1 26 12 37 1 27 13 17 1 28 13 38 1 29 13 39 1 30 14 16 ar 31 14 22 ar 32 15 20 1 33 16 24 ar 34 17 21 1 35 17 40 1 36 17 41 1 37 18 19 1 38 18 27 1 39 18 43 1 40 19 23 1 41 19 44 1 42 19 45 1 43 20 29 ar 44 20 30 ar 45 22 25 ar 46 22 46 1 47 23 28 1 48 23 48 1 49 23 49 1 50 24 26 ar 51 25 26 ar 52 26 50 1 53 28 51 1 54 28 52 1 55 29 31 ar 56 29 53 1 57 30 32 ar 58 30 54 1 59 31 33 ar 60 31 55 1 61 32 33 ar 62 32 56 1 63 33 57 1 64 34 58 1 65 34 59 1 66 34 60 1