@MOLECULE n-[(3r,4s,7s,10z)-7-[(2r)-2-butanyl]-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-nalpha-methyl-l-phenylalaninamide 79 82 0 0 0 SMALL USER_CHARGES @ATOM 1 O -0.3314 1.5457 1.9638 O.3 1 UNL111111111 -0.3569 2 O 0.4571 -1.2802 -0.2881 O.2 1 UNL111111111 -0.4933 3 O 4.9618 -1.2759 -1.5045 O.2 1 UNL111111111 -0.5150 4 O -2.2821 -0.1266 -2.1252 O.2 1 UNL111111111 -0.5067 5 N 1.7514 0.3479 -1.1713 N.am 1 UNL111111111 -0.6295 6 N -1.7589 0.3094 0.0237 N.am 1 UNL111111111 -0.5920 7 N 3.7857 -0.7399 0.3668 N.am 1 UNL111111111 -0.5507 8 N -4.9723 -0.1196 -0.9582 N.3 1 UNL111111111 -0.5157 9 C 3.0525 -0.0894 -3.2383 C.3 1 UNL111111111 -0.1016 10 C 2.6575 -0.6010 -1.8298 C.3 1 UNL111111111 -0.0036 11 C -0.5251 0.9474 -0.3920 C.3 1 UNL111111111 -0.0350 12 C 1.8067 0.1567 -4.1105 C.3 1 UNL111111111 -0.2606 13 C -0.0980 2.0312 0.6362 C.3 1 UNL111111111 0.0803 14 C 0.5724 -0.1165 -0.5921 C.2 1 UNL111111111 0.5441 15 C 3.8902 1.1907 -3.1565 C.3 1 UNL111111111 -0.4587 16 C 3.9321 -0.8863 -1.0035 C.2 1 UNL111111111 0.5510 17 C -0.9240 3.2723 0.4746 C.ar 1 UNL111111111 -0.0403 18 C -3.8489 -0.9166 -0.4226 C.3 1 UNL111111111 -0.0172 19 C 0.9494 -1.0940 -4.2896 C.3 1 UNL111111111 -0.4441 20 C -2.5763 -0.2415 -0.9576 C.2 1 UNL111111111 0.5901 21 C -3.8863 -2.3590 -0.9662 C.3 1 UNL111111111 -0.3113 22 C -2.1363 3.4300 1.1423 C.ar 1 UNL111111111 -0.1125 23 C -0.4408 4.2750 -0.3687 C.ar 1 UNL111111111 -0.1624 24 C 0.8226 0.9855 2.4815 C.ar 1 UNL111111111 0.1790 25 C -3.0576 -3.2603 -0.1034 C.ar 1 UNL111111111 -0.0117 26 C 4.7643 -1.0606 1.3264 C.2 1 UNL111111111 0.1050 27 C -2.8783 4.5948 0.9495 C.ar 1 UNL111111111 -0.1514 28 C -1.1858 5.4350 -0.5572 C.ar 1 UNL111111111 -0.1422 29 C 0.8338 -0.3859 2.7237 C.ar 1 UNL111111111 -0.1944 30 C 1.9361 1.7956 2.7192 C.ar 1 UNL111111111 -0.2334 31 C -5.2030 1.1048 -0.1702 C.3 1 UNL111111111 -0.2772 32 C 3.2304 -0.2196 2.9737 C.ar 1 UNL111111111 -0.0134 33 C -2.4079 5.5908 0.0973 C.ar 1 UNL111111111 -0.1441 34 C 4.5109 -0.8496 2.6375 C.2 1 UNL111111111 -0.3152 35 C -1.7178 -3.4928 -0.4175 C.ar 1 UNL111111111 -0.1445 36 C -3.6242 -3.8691 1.0191 C.ar 1 UNL111111111 -0.1802 37 C 2.0599 -0.9882 2.9944 C.ar 1 UNL111111111 -0.1320 38 C 3.1552 1.1794 2.9660 C.ar 1 UNL111111111 -0.1291 39 C -0.9562 -4.3522 0.3719 C.ar 1 UNL111111111 -0.1215 40 C -2.8577 -4.7224 1.8098 C.ar 1 UNL111111111 -0.1423 41 C -1.5279 -4.9765 1.4785 C.ar 1 UNL111111111 -0.1612 42 H 3.6768 -0.8897 -3.7150 H 1 UNL111111111 0.1637 43 H 2.1329 -1.6017 -1.9285 H 1 UNL111111111 0.1950 44 H -0.7027 1.4480 -1.3955 H 1 UNL111111111 0.1974 45 H 2.1321 0.5242 -5.1040 H 1 UNL111111111 0.1373 46 H 1.1900 0.9724 -3.6863 H 1 UNL111111111 0.1361 47 H 0.9846 2.2720 0.4948 H 1 UNL111111111 0.1440 48 H 1.8388 1.3070 -1.4737 H 1 UNL111111111 0.3117 49 H 4.8195 1.0208 -2.5925 H 1 UNL111111111 0.1635 50 H 4.1941 1.5227 -4.1568 H 1 UNL111111111 0.1489 51 H 3.3618 2.0234 -2.6855 H 1 UNL111111111 0.1360 52 H -1.8395 0.0893 1.0044 H 1 UNL111111111 0.3283 53 H -3.8483 -0.9429 0.6984 H 1 UNL111111111 0.1356 54 H 0.4478 -1.3865 -3.3568 H 1 UNL111111111 0.1590 55 H 1.5401 -1.9479 -4.6404 H 1 UNL111111111 0.1431 56 H 0.1515 -0.9227 -5.0221 H 1 UNL111111111 0.1489 57 H -4.9304 -2.7266 -1.0247 H 1 UNL111111111 0.1547 58 H -3.5323 -2.3655 -2.0232 H 1 UNL111111111 0.1864 59 H 2.8763 -0.4175 0.7055 H 1 UNL111111111 0.3329 60 H -2.4966 2.6508 1.8143 H 1 UNL111111111 0.1658 61 H 0.5119 4.1597 -0.8777 H 1 UNL111111111 0.1469 62 H -5.8198 -0.6751 -1.0378 H 1 UNL111111111 0.2604 63 H 5.6956 -1.4765 0.9307 H 1 UNL111111111 0.1772 64 H -3.8264 4.7262 1.4667 H 1 UNL111111111 0.1502 65 H -0.8180 6.2179 -1.2164 H 1 UNL111111111 0.1478 66 H -0.0758 -0.9746 2.6273 H 1 UNL111111111 0.1783 67 H 1.8511 2.8776 2.6624 H 1 UNL111111111 0.1706 68 H -6.0564 1.6501 -0.6068 H 1 UNL111111111 0.1468 69 H -5.4052 0.9344 0.8976 H 1 UNL111111111 0.1172 70 H -4.3203 1.7658 -0.2614 H 1 UNL111111111 0.1587 71 H -2.9926 6.4939 -0.0604 H 1 UNL111111111 0.1483 72 H 5.2029 -1.0983 3.4273 H 1 UNL111111111 0.1746 73 H -1.2600 -2.9885 -1.2686 H 1 UNL111111111 0.1683 74 H -4.6633 -3.6818 1.2752 H 1 UNL111111111 0.1448 75 H 2.1227 -2.0673 3.1361 H 1 UNL111111111 0.1683 76 H 4.0606 1.7712 3.0867 H 1 UNL111111111 0.1612 77 H 0.0908 -4.5264 0.1242 H 1 UNL111111111 0.1549 78 H -3.2983 -5.1915 2.6861 H 1 UNL111111111 0.1432 79 H -0.9369 -5.6560 2.0873 H 1 UNL111111111 0.1453 @BOND 1 45 12 1 2 56 19 1 3 55 19 1 4 19 12 1 5 19 54 1 6 50 15 1 7 12 46 1 8 12 9 1 9 42 9 1 10 9 15 1 11 9 10 1 12 15 51 1 13 15 49 1 14 4 20 2 15 58 21 1 16 43 10 1 17 10 5 1 18 10 16 1 19 3 16 2 20 48 5 1 21 44 11 1 22 73 35 1 23 65 28 1 24 5 14 am 25 62 8 1 26 57 21 1 27 16 7 am 28 21 18 1 29 21 25 1 30 20 18 1 31 20 6 am 32 8 18 1 33 8 31 1 34 61 23 1 35 68 31 1 36 14 11 1 37 14 2 2 38 28 23 ar 39 28 33 ar 40 18 53 1 41 35 25 ar 42 35 39 ar 43 11 6 1 44 11 13 1 45 23 17 ar 46 70 31 1 47 31 69 1 48 25 36 ar 49 71 33 1 50 6 52 1 51 33 27 ar 52 77 39 1 53 7 59 1 54 7 26 1 55 39 41 ar 56 17 13 1 57 17 22 ar 58 47 13 1 59 13 1 1 60 63 26 1 61 27 22 ar 62 27 64 1 63 36 74 1 64 36 40 ar 65 22 60 1 66 26 34 2 67 41 40 ar 68 41 79 1 69 40 78 1 70 1 24 1 71 24 30 ar 72 24 29 ar 73 66 29 1 74 34 32 1 75 34 72 1 76 67 30 1 77 30 38 ar 78 29 37 ar 79 38 32 ar 80 38 76 1 81 32 37 ar 82 37 75 1