@MOLECULE 3,6,10,13,16,19-hexaazabicyclo[6.6.6]icosane-1,8-diamine 56 57 0 0 0 SMALL GASTEIGER @ATOM 1 N -1.4161 1.6263 -0.3534 N.3 1 UNL1111111111 -0.5911 2 N 1.1713 1.5903 -0.2617 N.3 1 UNL1111111111 -0.5700 3 N -1.1860 -0.9135 -1.3225 N.3 1 UNL1111111111 -0.5996 4 N -1.3726 -0.5000 1.5420 N.3 1 UNL1111111111 -0.5943 5 N 1.6887 -0.7887 -1.9173 N.3 1 UNL1111111111 -0.5526 6 N 1.2378 -0.8011 1.4224 N.3 1 UNL1111111111 -0.5760 7 N -4.6877 -0.2426 -0.1517 N.3 1 UNL1111111111 -0.6911 8 N 4.6528 0.1508 0.2414 N.3 1 UNL1111111111 -0.6922 9 C -3.2086 -0.0777 -0.0778 C.3 1 UNL1111111111 0.1889 10 C 3.1684 0.0699 0.0642 C.3 1 UNL1111111111 0.1625 11 C -2.8698 1.4383 -0.3285 C.3 1 UNL1111111111 -0.1442 12 C 2.6313 1.5328 -0.0844 C.3 1 UNL1111111111 -0.1503 13 C -2.6467 -1.0440 -1.1782 C.3 1 UNL1111111111 -0.1004 14 C -2.8309 -0.5260 1.3742 C.3 1 UNL1111111111 -0.1045 15 C 2.9827 -0.8132 -1.2140 C.3 1 UNL1111111111 -0.1191 16 C 2.6966 -0.6296 1.3814 C.3 1 UNL1111111111 -0.1257 17 C -0.9181 3.0040 -0.3486 C.3 1 UNL1111111111 -0.1019 18 C 0.6519 2.9715 -0.2951 C.3 1 UNL1111111111 -0.1019 19 C -0.5420 -1.8764 -2.2317 C.3 1 UNL1111111111 -0.1054 20 C -0.8512 -1.1774 2.7322 C.3 1 UNL1111111111 -0.0989 21 C 0.9496 -2.0695 -1.8476 C.3 1 UNL1111111111 -0.1229 22 C 0.6995 -1.0103 2.7806 C.3 1 UNL1111111111 -0.1091 23 H -3.3626 1.7629 -1.2689 H 1 UNL1111111111 0.1101 24 H -3.2963 2.0462 0.4958 H 1 UNL1111111111 0.1277 25 H 2.9693 2.1222 0.7971 H 1 UNL1111111111 0.1070 26 H -2.9671 -2.0767 -0.9234 H 1 UNL1111111111 0.1292 27 H -3.2073 -1.5594 1.5402 H 1 UNL1111111111 0.1494 28 H 3.0928 1.9863 -0.9905 H 1 UNL1111111111 0.1400 29 H -3.1088 -0.7890 -2.1577 H 1 UNL1111111111 0.1309 30 H -3.3552 0.1262 2.1056 H 1 UNL1111111111 0.1080 31 H 3.7138 -0.4561 -1.9847 H 1 UNL1111111111 0.1450 32 H 3.2958 -1.8509 -0.9664 H 1 UNL1111111111 0.1375 33 H 3.2458 -1.5941 1.4786 H 1 UNL1111111111 0.1333 34 H 3.0079 -0.0007 2.2446 H 1 UNL1111111111 0.1368 35 H -0.9909 1.0824 -1.1227 H 1 UNL1111111111 0.3256 36 H 0.7015 1.0022 0.4360 H 1 UNL1111111111 0.3110 37 H -0.7436 -0.8930 -0.3972 H 1 UNL1111111111 0.3068 38 H -0.9983 0.4452 1.4141 H 1 UNL1111111111 0.3117 39 H 1.1125 -0.0025 -1.6016 H 1 UNL1111111111 0.3137 40 H 0.9058 -1.4966 0.7610 H 1 UNL1111111111 0.2780 41 H -1.3105 3.5230 0.5507 H 1 UNL1111111111 0.1266 42 H -1.2399 3.5909 -1.2337 H 1 UNL1111111111 0.1112 43 H 1.0498 3.4530 -1.2158 H 1 UNL1111111111 0.1348 44 H 0.9892 3.5770 0.5696 H 1 UNL1111111111 0.1076 45 H -0.6054 -1.4473 -3.2579 H 1 UNL1111111111 0.1520 46 H -1.0409 -2.8665 -2.2510 H 1 UNL1111111111 0.1127 47 H -1.1139 -2.2558 2.6586 H 1 UNL1111111111 0.1341 48 H -1.2821 -0.8021 3.6834 H 1 UNL1111111111 0.1129 49 H 1.0209 -2.5729 -0.8619 H 1 UNL1111111111 0.1017 50 H 1.4234 -2.7467 -2.5966 H 1 UNL1111111111 0.1392 51 H 0.9560 -0.1137 3.3877 H 1 UNL1111111111 0.1373 52 H 1.1404 -1.8918 3.2914 H 1 UNL1111111111 0.1147 53 H -5.0517 -0.0467 -1.0696 H 1 UNL1111111111 0.2545 54 H -5.1759 0.3219 0.5219 H 1 UNL1111111111 0.2521 55 H 4.9189 0.7325 1.0167 H 1 UNL1111111111 0.2504 56 H 5.1233 0.4774 -0.5847 H 1 UNL1111111111 0.2562 @BOND 1 1 11 1 2 1 17 1 3 1 35 1 4 2 12 1 5 2 18 1 6 2 36 1 7 3 13 1 8 3 19 1 9 3 37 1 10 4 14 1 11 4 20 1 12 4 38 1 13 5 15 1 14 5 21 1 15 5 39 1 16 6 16 1 17 6 22 1 18 6 40 1 19 7 9 1 20 7 53 1 21 7 54 1 22 8 10 1 23 8 55 1 24 8 56 1 25 9 11 1 26 9 13 1 27 9 14 1 28 10 12 1 29 10 15 1 30 10 16 1 31 11 23 1 32 11 24 1 33 12 25 1 34 12 28 1 35 13 26 1 36 13 29 1 37 14 27 1 38 14 30 1 39 15 31 1 40 15 32 1 41 16 33 1 42 16 34 1 43 17 18 1 44 17 41 1 45 17 42 1 46 18 43 1 47 18 44 1 48 19 21 1 49 19 45 1 50 19 46 1 51 20 22 1 52 20 47 1 53 20 48 1 54 21 49 1 55 21 50 1 56 22 51 1 57 22 52 1