@MOLECULE [2.1.1]cryptand 48 49 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.3291 0.6520 2.2773 O.3 1 UNL1111111111 -0.4055 2 O 2.3003 1.0098 -1.9277 O.3 1 UNL1111111111 -0.3984 3 O -1.6912 -2.5897 -0.3374 O.3 1 UNL1111111111 -0.4255 4 O -3.2458 0.2650 -0.5168 O.3 1 UNL1111111111 -0.4017 5 N 1.6347 -1.2334 0.0223 N.3 1 UNL1111111111 -0.4227 6 N -0.6081 1.7754 -0.1740 N.3 1 UNL1111111111 -0.4436 7 C 2.5058 -1.2199 1.2135 C.3 1 UNL1111111111 -0.1515 8 C -0.2312 2.1088 1.2184 C.3 1 UNL1111111111 -0.1306 9 C 2.3985 -1.3349 -1.2432 C.3 1 UNL1111111111 -0.1519 10 C 0.3875 2.1972 -1.1881 C.3 1 UNL1111111111 -0.1243 11 C 0.5909 -2.2817 0.0776 C.3 1 UNL1111111111 -0.1368 12 C -1.9574 2.2540 -0.5421 C.3 1 UNL1111111111 -0.1325 13 C 1.7603 -0.6816 2.4584 C.3 1 UNL1111111111 -0.0387 14 C -0.0580 0.7688 1.9685 C.3 1 UNL1111111111 -0.0518 15 C 3.1723 -0.0395 -1.5684 C.3 1 UNL1111111111 -0.0379 16 C 1.8072 1.7443 -0.8105 C.3 1 UNL1111111111 -0.0682 17 C -0.5990 -1.7857 -0.7723 C.3 1 UNL1111111111 -0.0586 18 C -3.0379 1.4593 0.2198 C.3 1 UNL1111111111 -0.0450 19 C -2.9542 -2.0543 -0.6720 C.3 1 UNL1111111111 -0.0441 20 C -3.3215 -0.9092 0.2799 C.3 1 UNL1111111111 -0.0809 21 H 3.3637 -0.5386 1.0111 H 1 UNL1111111111 0.1474 22 H 2.9339 -2.2170 1.4520 H 1 UNL1111111111 0.1135 23 H -0.9969 2.7308 1.7233 H 1 UNL1111111111 0.1245 24 H 0.7141 2.6901 1.2827 H 1 UNL1111111111 0.1493 25 H 1.6655 -1.4950 -2.0698 H 1 UNL1111111111 0.1577 26 H 3.0995 -2.1959 -1.2540 H 1 UNL1111111111 0.1119 27 H 0.3697 3.2908 -1.3731 H 1 UNL1111111111 0.1107 28 H 0.1076 1.6927 -2.1471 H 1 UNL1111111111 0.1662 29 H 0.2431 -2.4290 1.1227 H 1 UNL1111111111 0.1464 30 H 0.9372 -3.2735 -0.2762 H 1 UNL1111111111 0.1213 31 H -2.1063 2.0701 -1.6337 H 1 UNL1111111111 0.1597 32 H -2.0986 3.3414 -0.3711 H 1 UNL1111111111 0.1128 33 H 0.9312 -1.3427 2.7564 H 1 UNL1111111111 0.1185 34 H 2.4688 -0.5932 3.3062 H 1 UNL1111111111 0.1294 35 H -0.5970 0.7603 2.9292 H 1 UNL1111111111 0.1048 36 H -0.3907 -0.0744 1.3309 H 1 UNL1111111111 0.1640 37 H 3.8469 0.2654 -0.7524 H 1 UNL1111111111 0.1153 38 H 3.7662 -0.1763 -2.4942 H 1 UNL1111111111 0.1326 39 H 2.4947 2.5944 -0.6736 H 1 UNL1111111111 0.1087 40 H 1.7977 1.1143 0.1032 H 1 UNL1111111111 0.1892 41 H -0.7927 -0.7027 -0.6037 H 1 UNL1111111111 0.1827 42 H -0.4554 -1.9598 -1.8496 H 1 UNL1111111111 0.1167 43 H -2.7512 1.2682 1.2650 H 1 UNL1111111111 0.1228 44 H -4.0055 1.9922 0.2006 H 1 UNL1111111111 0.1160 45 H -3.6199 -2.9272 -0.5464 H 1 UNL1111111111 0.1358 46 H -2.9789 -1.7212 -1.7265 H 1 UNL1111111111 0.1413 47 H -4.3552 -0.9886 0.6548 H 1 UNL1111111111 0.1152 48 H -2.6206 -0.8738 1.1326 H 1 UNL1111111111 0.1359 @BOND 1 1 13 1 2 1 14 1 3 2 15 1 4 2 16 1 5 3 17 1 6 3 19 1 7 4 18 1 8 4 20 1 9 5 7 1 10 5 9 1 11 5 11 1 12 6 8 1 13 6 10 1 14 6 12 1 15 7 13 1 16 7 21 1 17 7 22 1 18 8 14 1 19 8 23 1 20 8 24 1 21 9 15 1 22 9 25 1 23 9 26 1 24 10 16 1 25 10 27 1 26 10 28 1 27 11 17 1 28 11 29 1 29 11 30 1 30 12 18 1 31 12 31 1 32 12 32 1 33 13 33 1 34 13 34 1 35 14 35 1 36 14 36 1 37 15 37 1 38 15 38 1 39 16 39 1 40 16 40 1 41 17 41 1 42 17 42 1 43 18 43 1 44 18 44 1 45 19 20 1 46 19 45 1 47 19 46 1 48 20 47 1 49 20 48 1