@MOLECULE dibenzyl [(2s,5s,8s,9r,10r,11s,14s,17s)-8,11-dibenzyl-9,10-dihydroxy-5,14-diisopropyl-3,6,13,16-tetraoxo-4,7,12,15-tetraazaoctadecane-2,17-diyl]biscarbamate 130 133 0 0 0 SMALL GASTEIGER @ATOM 1 C 10.0641 0.9628 -0.8324 C.2 1 UNL1111111111 0.7150 2 O 10.5344 0.0156 -1.4255 O.2 1 UNL1111111111 -0.5673 3 O 10.6888 2.1711 -0.6805 O.3 1 UNL1111111111 -0.4148 4 C 11.9630 2.2554 -1.3452 C.3 1 UNL1111111111 -0.0197 5 C 12.5115 3.5780 -0.9046 C.ar 1 UNL1111111111 -0.0385 6 C 13.2574 3.6640 0.2720 C.ar 1 UNL1111111111 -0.1319 7 C 13.7777 4.8916 0.6768 C.ar 1 UNL1111111111 -0.1541 8 C 13.5498 6.0335 -0.0896 C.ar 1 UNL1111111111 -0.1383 9 C 12.7970 5.9485 -1.2599 C.ar 1 UNL1111111111 -0.1543 10 C 12.2751 4.7224 -1.6674 C.ar 1 UNL1111111111 -0.1320 11 N 8.8301 1.0100 -0.2324 N.am 1 UNL1111111111 -0.5884 12 C 8.0528 -0.2275 -0.1271 C.3 1 UNL1111111111 0.0507 13 C 6.5910 0.2012 0.0859 C.2 1 UNL1111111111 0.5587 14 O 6.2916 1.1927 0.7206 O.2 1 UNL1111111111 -0.5379 15 C 8.4701 -1.0802 1.0748 C.3 1 UNL1111111111 -0.4772 16 N 5.6395 -0.5983 -0.4993 N.am 1 UNL1111111111 -0.5838 17 C 4.2231 -0.2888 -0.3035 C.3 1 UNL1111111111 -0.0162 18 C 3.5080 -1.6194 -0.0287 C.2 1 UNL1111111111 0.5535 19 O 3.8956 -2.6752 -0.4879 O.2 1 UNL1111111111 -0.5411 20 C 3.6339 0.4058 -1.5647 C.3 1 UNL1111111111 -0.0770 21 C 3.2847 -0.5913 -2.6682 C.3 1 UNL1111111111 -0.4632 22 C 2.4164 1.2466 -1.1772 C.3 1 UNL1111111111 -0.4646 23 C 0.1171 -2.5218 0.7736 C.3 1 UNL1111111111 0.0611 24 O -0.1783 -1.2411 1.2874 O.3 1 UNL1111111111 -0.5728 25 C 1.6205 -2.7332 1.1186 C.3 1 UNL1111111111 0.0725 26 N 2.3587 -1.5303 0.7233 N.am 1 UNL1111111111 -0.6036 27 C 1.7493 -2.9735 2.6422 C.3 1 UNL1111111111 -0.3248 28 C 3.1903 -3.1186 3.0173 C.ar 1 UNL1111111111 0.0164 29 C 3.9019 -2.0161 3.4942 C.ar 1 UNL1111111111 -0.1781 30 C 3.8356 -4.3464 2.8554 C.ar 1 UNL1111111111 -0.1706 31 C 5.2586 -2.1355 3.7864 C.ar 1 UNL1111111111 -0.1339 32 C 5.1907 -4.4635 3.1535 C.ar 1 UNL1111111111 -0.1329 33 C 5.9048 -3.3579 3.6128 C.ar 1 UNL1111111111 -0.1642 34 N -2.3726 -1.5733 -0.7814 N.am 1 UNL1111111111 -0.6024 35 C -1.6495 -2.8122 -1.0810 C.3 1 UNL1111111111 0.0732 36 C -0.1460 -2.5960 -0.7480 C.3 1 UNL1111111111 0.0585 37 O 0.1786 -1.3752 -1.3787 O.3 1 UNL1111111111 -0.5705 38 C -1.7851 -3.1653 -2.5831 C.3 1 UNL1111111111 -0.3245 39 C -3.2305 -3.3060 -2.9460 C.ar 1 UNL1111111111 0.0162 40 C -3.9265 -2.2205 -3.4826 C.ar 1 UNL1111111111 -0.1786 41 C -3.8967 -4.5106 -2.7113 C.ar 1 UNL1111111111 -0.1721 42 C -5.2871 -2.3317 -3.7587 C.ar 1 UNL1111111111 -0.1325 43 C -5.2553 -4.6213 -2.9973 C.ar 1 UNL1111111111 -0.1331 44 C -5.9534 -3.5311 -3.5143 C.ar 1 UNL1111111111 -0.1634 45 N -5.6012 -0.5495 0.4923 N.am 1 UNL1111111111 -0.5843 46 C -4.2032 -0.2422 0.1907 C.3 1 UNL1111111111 -0.0155 47 C -3.4826 -1.5867 0.0314 C.2 1 UNL1111111111 0.5544 48 O -3.8359 -2.5907 0.6182 O.2 1 UNL1111111111 -0.5424 49 C -3.5697 0.6000 1.3348 C.3 1 UNL1111111111 -0.0785 50 C -3.2063 -0.2568 2.5455 C.3 1 UNL1111111111 -0.4638 51 C -2.3536 1.3663 0.8123 C.3 1 UNL1111111111 -0.4638 52 N -8.8125 1.0401 0.2958 N.am 1 UNL1111111111 -0.5874 53 C -8.0354 -0.2007 0.2729 C.3 1 UNL1111111111 0.0496 54 C -6.5946 0.2096 -0.0735 C.2 1 UNL1111111111 0.5592 55 O -6.3447 1.1488 -0.8027 O.2 1 UNL1111111111 -0.5390 56 C -8.5228 -1.1746 -0.8037 C.3 1 UNL1111111111 -0.4769 57 C -10.0115 1.0483 0.9644 C.2 1 UNL1111111111 0.7142 58 O -10.4382 0.1665 1.6799 O.2 1 UNL1111111111 -0.5680 59 O -10.6607 2.2279 0.7213 O.3 1 UNL1111111111 -0.4146 60 C -11.8897 2.3772 1.4560 C.3 1 UNL1111111111 -0.0198 61 C -12.4926 3.6274 0.8929 C.ar 1 UNL1111111111 -0.0383 62 C -13.2854 3.5610 -0.2536 C.ar 1 UNL1111111111 -0.1317 63 C -13.8586 4.7210 -0.7704 C.ar 1 UNL1111111111 -0.1541 64 C -13.6346 5.9474 -0.1465 C.ar 1 UNL1111111111 -0.1384 65 C -12.8338 6.0147 0.9924 C.ar 1 UNL1111111111 -0.1541 66 C -12.2602 4.8561 1.5126 C.ar 1 UNL1111111111 -0.1326 67 H 12.5905 1.3977 -1.0359 H 1 UNL1111111111 0.1489 68 H 11.7862 2.1902 -2.4354 H 1 UNL1111111111 0.1447 69 H 13.4281 2.7741 0.8757 H 1 UNL1111111111 0.1547 70 H 14.3612 4.9589 1.5927 H 1 UNL1111111111 0.1497 71 H 13.9565 6.9918 0.2276 H 1 UNL1111111111 0.1487 72 H 12.6148 6.8410 -1.8547 H 1 UNL1111111111 0.1497 73 H 11.6791 4.6602 -2.5765 H 1 UNL1111111111 0.1550 74 H 8.5254 1.8071 0.3174 H 1 UNL1111111111 0.3468 75 H 8.1819 -0.8164 -1.0786 H 1 UNL1111111111 0.1772 76 H 7.8620 -1.9901 1.1553 H 1 UNL1111111111 0.1633 77 H 9.5198 -1.3937 0.9827 H 1 UNL1111111111 0.1710 78 H 8.3738 -0.5301 2.0199 H 1 UNL1111111111 0.1658 79 H 5.8481 -1.4722 -0.9668 H 1 UNL1111111111 0.3366 80 H 4.1212 0.4088 0.5778 H 1 UNL1111111111 0.1866 81 H 4.4282 1.1005 -1.9523 H 1 UNL1111111111 0.1635 82 H 2.3913 -1.1849 -2.4397 H 1 UNL1111111111 0.1531 83 H 3.0896 -0.0782 -3.6153 H 1 UNL1111111111 0.1499 84 H 4.1009 -1.3050 -2.8427 H 1 UNL1111111111 0.1601 85 H 2.6803 2.0283 -0.4532 H 1 UNL1111111111 0.1565 86 H 2.0000 1.7539 -2.0573 H 1 UNL1111111111 0.1586 87 H 1.6060 0.6513 -0.7439 H 1 UNL1111111111 0.1395 88 H -0.5191 -3.2549 1.3204 H 1 UNL1111111111 0.1432 89 H -0.9889 -0.8811 0.8511 H 1 UNL1111111111 0.3439 90 H 2.0249 -3.6222 0.5627 H 1 UNL1111111111 0.1732 91 H 2.0837 -0.6770 1.1957 H 1 UNL1111111111 0.3301 92 H 1.2686 -2.1381 3.1958 H 1 UNL1111111111 0.1731 93 H 1.1740 -3.8770 2.9282 H 1 UNL1111111111 0.1591 94 H 3.4005 -1.0610 3.6339 H 1 UNL1111111111 0.1515 95 H 3.2845 -5.2082 2.4867 H 1 UNL1111111111 0.1499 96 H 5.8134 -1.2721 4.1477 H 1 UNL1111111111 0.1526 97 H 5.6934 -5.4193 3.0217 H 1 UNL1111111111 0.1481 98 H 6.9646 -3.4512 3.8390 H 1 UNL1111111111 0.1500 99 H -2.1199 -0.7704 -1.3452 H 1 UNL1111111111 0.3296 100 H -2.0666 -3.6521 -0.4597 H 1 UNL1111111111 0.1745 101 H 0.4727 -3.3948 -1.2151 H 1 UNL1111111111 0.1412 102 H 1.0161 -1.0182 -0.9932 H 1 UNL1111111111 0.3431 103 H -1.2865 -2.3873 -3.2000 H 1 UNL1111111111 0.1732 104 H -1.2312 -4.1009 -2.7987 H 1 UNL1111111111 0.1589 105 H -3.4085 -1.2853 -3.6821 H 1 UNL1111111111 0.1508 106 H -3.3589 -5.3596 -2.2961 H 1 UNL1111111111 0.1499 107 H -5.8293 -1.4786 -4.1637 H 1 UNL1111111111 0.1532 108 H -5.7734 -5.5604 -2.8124 H 1 UNL1111111111 0.1481 109 H -7.0159 -3.6182 -3.7299 H 1 UNL1111111111 0.1502 110 H -5.7695 -1.3652 1.0677 H 1 UNL1111111111 0.3373 111 H -4.1595 0.3524 -0.7668 H 1 UNL1111111111 0.1860 112 H -4.3460 1.3490 1.6502 H 1 UNL1111111111 0.1636 113 H -2.3210 -0.8827 2.3755 H 1 UNL1111111111 0.1555 114 H -2.9912 0.3672 3.4212 H 1 UNL1111111111 0.1502 115 H -4.0231 -0.9376 2.8195 H 1 UNL1111111111 0.1589 116 H -2.6274 2.0533 0.0010 H 1 UNL1111111111 0.1562 117 H -1.9075 1.9764 1.6095 H 1 UNL1111111111 0.1593 118 H -1.5613 0.7083 0.4385 H 1 UNL1111111111 0.1390 119 H -8.5507 1.7747 -0.3548 H 1 UNL1111111111 0.3473 120 H -8.0995 -0.6856 1.2882 H 1 UNL1111111111 0.1773 121 H -8.4976 -0.7251 -1.8042 H 1 UNL1111111111 0.1655 122 H -7.9120 -2.0853 -0.8322 H 1 UNL1111111111 0.1634 123 H -9.5603 -1.4807 -0.6082 H 1 UNL1111111111 0.1710 124 H -12.5195 1.4805 1.2981 H 1 UNL1111111111 0.1497 125 H -11.6389 2.4494 2.5306 H 1 UNL1111111111 0.1443 126 H -13.4522 2.6049 -0.7473 H 1 UNL1111111111 0.1548 127 H -14.4805 4.6686 -1.6616 H 1 UNL1111111111 0.1497 128 H -14.0827 6.8521 -0.5512 H 1 UNL1111111111 0.1485 129 H -12.6534 6.9731 1.4744 H 1 UNL1111111111 0.1497 130 H -11.6293 4.9116 2.3983 H 1 UNL1111111111 0.1548 @BOND 1 1 2 2 2 1 3 1 3 1 11 am 4 3 4 1 5 4 5 1 6 4 67 1 7 4 68 1 8 5 6 ar 9 5 10 ar 10 6 7 ar 11 6 69 1 12 7 8 ar 13 7 70 1 14 8 9 ar 15 8 71 1 16 9 10 ar 17 9 72 1 18 10 73 1 19 11 12 1 20 11 74 1 21 12 13 1 22 12 15 1 23 12 75 1 24 13 14 2 25 13 16 am 26 15 76 1 27 15 77 1 28 15 78 1 29 16 17 1 30 16 79 1 31 17 18 1 32 17 20 1 33 17 80 1 34 18 19 2 35 18 26 am 36 20 21 1 37 20 22 1 38 20 81 1 39 21 82 1 40 21 83 1 41 21 84 1 42 22 85 1 43 22 86 1 44 22 87 1 45 23 24 1 46 23 25 1 47 23 88 1 48 23 36 1 49 24 89 1 50 25 26 1 51 25 27 1 52 25 90 1 53 26 91 1 54 27 28 1 55 27 92 1 56 27 93 1 57 28 29 ar 58 28 30 ar 59 29 31 ar 60 29 94 1 61 30 32 ar 62 30 95 1 63 31 33 ar 64 31 96 1 65 32 33 ar 66 32 97 1 67 33 98 1 68 34 35 1 69 34 99 1 70 34 47 am 71 35 36 1 72 35 38 1 73 35 100 1 74 36 37 1 75 36 101 1 76 37 102 1 77 38 39 1 78 38 103 1 79 38 104 1 80 39 40 ar 81 39 41 ar 82 40 42 ar 83 40 105 1 84 41 43 ar 85 41 106 1 86 42 44 ar 87 42 107 1 88 43 44 ar 89 43 108 1 90 44 109 1 91 45 46 1 92 45 110 1 93 45 54 am 94 46 47 1 95 46 49 1 96 46 111 1 97 47 48 2 98 49 50 1 99 49 51 1 100 49 112 1 101 50 113 1 102 50 114 1 103 50 115 1 104 51 116 1 105 51 117 1 106 51 118 1 107 52 53 1 108 52 119 1 109 52 57 am 110 53 54 1 111 53 56 1 112 53 120 1 113 54 55 2 114 56 121 1 115 56 122 1 116 56 123 1 117 57 58 2 118 57 59 1 119 59 60 1 120 60 61 1 121 60 124 1 122 60 125 1 123 61 62 ar 124 61 66 ar 125 62 63 ar 126 62 126 1 127 63 64 ar 128 63 127 1 129 64 65 ar 130 64 128 1 131 65 66 ar 132 65 129 1 133 66 130 1