@MOLECULE (2s,5s,8r)-5,8-dibenzyl-2-(1h-indol-3-ylmethyl)-1,4,7,10-tetraazacyclotetradecane-3,6,11,14-tetrone 77 81 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.3600 -1.0602 2.1393 O.2 1 UNL1111111111 -0.5247 2 O -0.1864 -1.4617 -1.5615 O.2 1 UNL1111111111 -0.5248 3 O 0.0205 2.1574 -0.7770 O.2 1 UNL1111111111 -0.5719 4 O -1.3699 3.9861 2.8766 O.2 1 UNL1111111111 -0.5487 5 N -2.7239 0.2504 0.3918 N.am 1 UNL1111111111 -0.5961 6 N -0.2131 -0.9142 0.6315 N.am 1 UNL1111111111 -0.6013 7 N 1.7439 1.0350 0.1307 N.am 1 UNL1111111111 -0.6153 8 N -1.9941 3.0666 0.9111 N.am 1 UNL1111111111 -0.5922 9 N 5.6417 0.1341 -2.7665 N.ar 1 UNL1111111111 -0.3692 10 C -3.7326 1.2817 0.6402 C.3 1 UNL1111111111 0.0826 11 C -1.3875 -1.7447 0.9006 C.3 1 UNL1111111111 0.0149 12 C 1.6078 -0.0467 -0.8494 C.3 1 UNL1111111111 0.0296 13 C 2.7877 -1.0318 -0.7317 C.3 1 UNL1111111111 -0.2813 14 C -4.2321 1.8557 -0.7053 C.3 1 UNL1111111111 -0.3219 15 C -3.1468 2.4072 1.5366 C.3 1 UNL1111111111 -0.1126 16 C -1.1114 -2.7180 2.0614 C.3 1 UNL1111111111 -0.3093 17 C 4.0224 -0.4364 -1.2733 C.ar 1 UNL1111111111 -0.1209 18 C -2.5860 -0.8275 1.2370 C.2 1 UNL1111111111 0.5455 19 C 0.3188 -0.8608 -0.6372 C.2 1 UNL1111111111 0.5565 20 C 4.9543 0.4322 -0.6050 C.ar 1 UNL1111111111 -0.0725 21 C -5.1649 0.8847 -1.3573 C.ar 1 UNL1111111111 0.0189 22 C 5.9555 0.7779 -1.5714 C.ar 1 UNL1111111111 0.0947 23 C -0.0461 -3.6877 1.6467 C.ar 1 UNL1111111111 0.0249 24 C 4.4681 -0.5946 -2.5770 C.ar 1 UNL1111111111 -0.0235 25 C 1.2333 3.2654 0.9991 C.3 1 UNL1111111111 -0.3467 26 C 0.9306 2.1458 0.0300 C.2 1 UNL1111111111 0.6008 27 C 0.1212 4.3135 1.0121 C.3 1 UNL1111111111 -0.3415 28 C -1.1216 3.7755 1.7049 C.2 1 UNL1111111111 0.5734 29 C 5.0691 0.9538 0.6886 C.ar 1 UNL1111111111 -0.1382 30 C 7.0332 1.6230 -1.2747 C.ar 1 UNL1111111111 -0.2036 31 C -4.6635 -0.1254 -2.1805 C.ar 1 UNL1111111111 -0.1594 32 C -6.5383 0.9713 -1.1210 C.ar 1 UNL1111111111 -0.1763 33 C -0.3903 -4.8713 0.9893 C.ar 1 UNL1111111111 -0.1675 34 C 1.2989 -3.3900 1.8772 C.ar 1 UNL1111111111 -0.1766 35 C 6.1195 1.8054 0.9756 C.ar 1 UNL1111111111 -0.1832 36 C 7.0916 2.1363 0.0058 C.ar 1 UNL1111111111 -0.1177 37 C -5.5343 -1.0369 -2.7725 C.ar 1 UNL1111111111 -0.1352 38 C -7.4062 0.0602 -1.7178 C.ar 1 UNL1111111111 -0.1405 39 C 0.6057 -5.7442 0.5576 C.ar 1 UNL1111111111 -0.1348 40 C 2.2915 -4.2620 1.4336 C.ar 1 UNL1111111111 -0.1449 41 C -6.9073 -0.9427 -2.5478 C.ar 1 UNL1111111111 -0.1646 42 C 1.9489 -5.4386 0.7711 C.ar 1 UNL1111111111 -0.1642 43 H -4.5992 0.8124 1.1916 H 1 UNL1111111111 0.1814 44 H -1.6511 -2.3379 -0.0259 H 1 UNL1111111111 0.2005 45 H 1.5589 0.3836 -1.8927 H 1 UNL1111111111 0.1903 46 H 2.5270 -1.9661 -1.2866 H 1 UNL1111111111 0.1838 47 H 2.9282 -1.3681 0.3168 H 1 UNL1111111111 0.1648 48 H -4.7341 2.8293 -0.5250 H 1 UNL1111111111 0.1643 49 H -3.3838 2.0946 -1.3778 H 1 UNL1111111111 0.1606 50 H -3.9265 3.1752 1.7445 H 1 UNL1111111111 0.1545 51 H -2.8547 1.9811 2.5292 H 1 UNL1111111111 0.1668 52 H -2.0596 -3.2343 2.3347 H 1 UNL1111111111 0.1847 53 H -0.8338 -2.1636 2.9800 H 1 UNL1111111111 0.1636 54 H -2.0011 0.4681 -0.2865 H 1 UNL1111111111 0.3273 55 H 0.1917 -0.4080 1.3998 H 1 UNL1111111111 0.3216 56 H 2.6006 1.0520 0.6714 H 1 UNL1111111111 0.3236 57 H -1.7092 2.7694 -0.0149 H 1 UNL1111111111 0.3349 58 H 4.0297 -1.1658 -3.3763 H 1 UNL1111111111 0.1756 59 H 1.3904 2.8720 2.0272 H 1 UNL1111111111 0.1798 60 H 2.1939 3.7495 0.7113 H 1 UNL1111111111 0.1790 61 H -0.1079 4.6491 -0.0223 H 1 UNL1111111111 0.1793 62 H 0.4532 5.2196 1.5651 H 1 UNL1111111111 0.1776 63 H 6.1683 0.1878 -3.6065 H 1 UNL1111111111 0.3157 64 H 4.3614 0.6673 1.4610 H 1 UNL1111111111 0.1454 65 H 7.7840 1.8540 -2.0233 H 1 UNL1111111111 0.1607 66 H -3.5909 -0.2113 -2.3507 H 1 UNL1111111111 0.1603 67 H -6.9329 1.7459 -0.4677 H 1 UNL1111111111 0.1496 68 H -1.4363 -5.1117 0.8077 H 1 UNL1111111111 0.1568 69 H 1.5714 -2.4772 2.3995 H 1 UNL1111111111 0.1466 70 H 6.2229 2.2287 1.9731 H 1 UNL1111111111 0.1541 71 H 7.9036 2.8074 0.2862 H 1 UNL1111111111 0.1543 72 H -5.1412 -1.8252 -3.4124 H 1 UNL1111111111 0.1484 73 H -8.4760 0.1295 -1.5317 H 1 UNL1111111111 0.1450 74 H 0.3338 -6.6675 0.0502 H 1 UNL1111111111 0.1475 75 H 3.3381 -4.0236 1.6076 H 1 UNL1111111111 0.1465 76 H -7.5873 -1.6492 -3.0175 H 1 UNL1111111111 0.1461 77 H 2.7263 -6.1170 0.4268 H 1 UNL1111111111 0.1484 @BOND 1 1 18 2 2 2 19 2 3 3 26 2 4 4 28 2 5 5 10 1 6 5 18 am 7 5 54 1 8 6 11 1 9 6 19 am 10 6 55 1 11 7 12 1 12 7 26 am 13 7 56 1 14 8 15 1 15 8 28 am 16 8 57 1 17 9 22 ar 18 9 24 ar 19 9 63 1 20 10 14 1 21 10 15 1 22 10 43 1 23 11 16 1 24 11 18 1 25 11 44 1 26 12 13 1 27 12 19 1 28 12 45 1 29 13 17 1 30 13 46 1 31 13 47 1 32 14 21 1 33 14 48 1 34 14 49 1 35 15 50 1 36 15 51 1 37 16 23 1 38 16 52 1 39 16 53 1 40 17 20 ar 41 17 24 ar 42 20 22 ar 43 20 29 ar 44 21 31 ar 45 21 32 ar 46 22 30 ar 47 23 33 ar 48 23 34 ar 49 24 58 1 50 25 26 1 51 25 27 1 52 25 59 1 53 25 60 1 54 27 28 1 55 27 61 1 56 27 62 1 57 29 35 ar 58 29 64 1 59 30 36 ar 60 30 65 1 61 31 37 ar 62 31 66 1 63 32 38 ar 64 32 67 1 65 33 39 ar 66 33 68 1 67 34 40 ar 68 34 69 1 69 35 36 ar 70 35 70 1 71 36 71 1 72 37 41 ar 73 37 72 1 74 38 41 ar 75 38 73 1 76 39 42 ar 77 39 74 1 78 40 42 ar 79 40 75 1 80 41 76 1 81 42 77 1