@MOLECULE methyl 4-bromo-n-[8-(hydroxyamino)-8-oxooctanoyl]-l-phenylalaninate 51 51 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.0401 1.0466 -0.4002 C.ar 1 UNL1111111111 -0.1637 2 C -4.7945 -0.0151 0.0936 C.ar 1 UNL1111111111 -0.1411 3 C -4.3659 -1.3128 -0.1593 C.ar 1 UNL1111111111 -0.0259 4 BR -5.3818 -2.7656 0.5198 Br 1 UNL1111111111 -0.0583 5 C -3.2179 -1.5804 -0.8947 C.ar 1 UNL1111111111 -0.1467 6 C -2.4731 -0.5103 -1.3863 C.ar 1 UNL1111111111 -0.1569 7 C -2.8751 0.8033 -1.1325 C.ar 1 UNL1111111111 0.0117 8 C -2.0497 1.9469 -1.6290 C.3 1 UNL1111111111 -0.3158 9 C -0.9909 2.3902 -0.5921 C.3 1 UNL1111111111 0.0378 10 C -1.6797 2.8538 0.6860 C.2 1 UNL1111111111 0.5635 11 O -1.6125 2.3431 1.7723 O.2 1 UNL1111111111 -0.4902 12 O -2.4119 3.9612 0.4224 O.3 1 UNL1111111111 -0.4037 13 C -3.1271 4.5131 1.5254 C.3 1 UNL1111111111 -0.1672 14 N -0.0744 1.3091 -0.2342 N.am 1 UNL1111111111 -0.6190 15 C 0.9311 0.9575 -1.1185 C.2 1 UNL1111111111 0.5993 16 O 1.0854 1.5911 -2.1425 O.2 1 UNL1111111111 -0.5408 17 C 1.7721 -0.2317 -0.7188 C.3 1 UNL1111111111 -0.3550 18 C 3.2296 0.0073 -1.1284 C.3 1 UNL1111111111 -0.2483 19 C 3.9099 1.0734 -0.2599 C.3 1 UNL1111111111 -0.2720 20 C 4.2706 0.5772 1.1461 C.3 1 UNL1111111111 -0.2636 21 C 5.4044 -0.4561 1.1478 C.3 1 UNL1111111111 -0.2548 22 C 6.7572 0.1901 0.8282 C.3 1 UNL1111111111 -0.3680 23 C 7.7989 -0.8853 0.6504 C.2 1 UNL1111111111 0.5392 24 O 8.5782 -1.2330 1.5069 O.2 1 UNL1111111111 -0.4881 25 N 7.9314 -1.3708 -0.6679 N.am 1 UNL1111111111 -0.4059 26 O 8.6270 -2.5817 -0.7703 O.3 1 UNL1111111111 -0.2987 27 H -4.3578 2.0713 -0.2081 H 1 UNL1111111111 0.1624 28 H -5.6990 0.1832 0.6689 H 1 UNL1111111111 0.1693 29 H -2.8950 -2.6024 -1.0928 H 1 UNL1111111111 0.1680 30 H -1.5735 -0.6998 -1.9706 H 1 UNL1111111111 0.1611 31 H -1.5202 1.6781 -2.5732 H 1 UNL1111111111 0.1862 32 H -2.6872 2.8170 -1.8959 H 1 UNL1111111111 0.1723 33 H -0.3951 3.2452 -1.0332 H 1 UNL1111111111 0.1941 34 H -0.2913 0.7816 0.6009 H 1 UNL1111111111 0.3335 35 H -3.6743 5.3461 1.0685 H 1 UNL1111111111 0.1493 36 H -3.8086 3.7684 1.9506 H 1 UNL1111111111 0.1432 37 H -2.4240 4.8661 2.2873 H 1 UNL1111111111 0.1423 38 H 1.7085 -0.4478 0.3655 H 1 UNL1111111111 0.1644 39 H 1.3749 -1.1334 -1.2324 H 1 UNL1111111111 0.1689 40 H 3.7911 -0.9440 -1.0851 H 1 UNL1111111111 0.1366 41 H 3.2608 0.3295 -2.1927 H 1 UNL1111111111 0.1594 42 H 4.8169 1.4428 -0.7760 H 1 UNL1111111111 0.1377 43 H 3.2483 1.9603 -0.1801 H 1 UNL1111111111 0.1474 44 H 4.5518 1.4415 1.7798 H 1 UNL1111111111 0.1414 45 H 3.3754 0.1406 1.6308 H 1 UNL1111111111 0.1404 46 H 5.4561 -0.9485 2.1412 H 1 UNL1111111111 0.1496 47 H 5.1771 -1.2660 0.4291 H 1 UNL1111111111 0.1369 48 H 6.6890 0.8397 -0.0672 H 1 UNL1111111111 0.1715 49 H 7.0669 0.8627 1.6578 H 1 UNL1111111111 0.1817 50 H 7.1321 -1.4809 -1.2730 H 1 UNL1111111111 0.3012 51 H 9.5316 -2.3897 -0.3660 H 1 UNL1111111111 0.3134 @BOND 1 1 2 ar 2 1 7 ar 3 1 27 1 4 2 3 ar 5 2 28 1 6 3 4 1 7 3 5 ar 8 5 6 ar 9 5 29 1 10 6 7 ar 11 6 30 1 12 7 8 1 13 8 9 1 14 8 31 1 15 8 32 1 16 9 10 1 17 9 14 1 18 9 33 1 19 10 11 2 20 10 12 1 21 12 13 1 22 13 35 1 23 13 36 1 24 13 37 1 25 14 15 am 26 14 34 1 27 15 16 2 28 15 17 1 29 17 18 1 30 17 38 1 31 17 39 1 32 18 19 1 33 18 40 1 34 18 41 1 35 19 20 1 36 19 42 1 37 19 43 1 38 20 21 1 39 20 44 1 40 20 45 1 41 21 22 1 42 21 46 1 43 21 47 1 44 22 23 1 45 22 48 1 46 22 49 1 47 23 24 2 48 23 25 am 49 25 26 1 50 25 50 1 51 26 51 1