@MOLECULE 9-decyl-1,4,7-triazecane-8,10-dione 55 55 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.8049 -1.7603 -1.6310 O.2 1 UNL1111111111 -0.5292 2 O -2.1800 1.5613 0.6597 O.2 1 UNL1111111111 -0.5085 3 N -3.7115 -1.4199 0.6101 N.am 1 UNL1111111111 -0.5881 4 N -3.6716 1.4962 -1.0498 N.am 1 UNL1111111111 -0.6078 5 N -6.1061 0.4409 0.4151 N.3 1 UNL1111111111 -0.5371 6 C 1.6881 -0.5610 0.1542 C.3 1 UNL1111111111 -0.2678 7 C 0.4373 -0.0191 -0.5486 C.3 1 UNL1111111111 -0.2612 8 C 2.9465 0.1504 -0.3585 C.3 1 UNL1111111111 -0.2747 9 C -0.8079 -0.7889 -0.0876 C.3 1 UNL1111111111 -0.2501 10 C 4.2026 -0.4359 0.2979 C.3 1 UNL1111111111 -0.2735 11 C -2.0460 -0.3246 -0.8523 C.3 1 UNL1111111111 -0.3044 12 C 5.4661 0.2519 -0.2343 C.3 1 UNL1111111111 -0.2726 13 C 6.7202 -0.3442 0.4176 C.3 1 UNL1111111111 -0.2751 14 C 7.9851 0.3483 -0.1047 C.3 1 UNL1111111111 -0.2721 15 C -3.2391 -1.2675 -0.6775 C.2 1 UNL1111111111 0.5658 16 C -2.5781 1.0133 -0.3433 C.2 1 UNL1111111111 0.5707 17 C 9.2400 -0.2434 0.5512 C.3 1 UNL1111111111 -0.2510 18 C -5.0858 -1.8750 0.8244 C.3 1 UNL1111111111 -0.1169 19 C -4.6261 2.3558 -0.3426 C.3 1 UNL1111111111 -0.0853 20 C -5.9982 -0.7193 1.3219 C.3 1 UNL1111111111 -0.1398 21 C -5.2983 1.6092 0.8411 C.3 1 UNL1111111111 -0.1508 22 C 10.5029 0.4486 0.0379 C.3 1 UNL1111111111 -0.4397 23 H 0.3133 1.0599 -0.3251 H 1 UNL1111111111 0.1540 24 H 0.5552 -0.0971 -1.6452 H 1 UNL1111111111 0.1375 25 H 1.5966 -0.4256 1.2484 H 1 UNL1111111111 0.1389 26 H 1.7770 -1.6508 -0.0126 H 1 UNL1111111111 0.1355 27 H 3.0158 0.0555 -1.4582 H 1 UNL1111111111 0.1361 28 H 2.8805 1.2350 -0.1509 H 1 UNL1111111111 0.1394 29 H -0.6599 -1.8769 -0.2436 H 1 UNL1111111111 0.1530 30 H -0.9446 -0.6462 1.0036 H 1 UNL1111111111 0.1537 31 H 4.1442 -0.3225 1.3965 H 1 UNL1111111111 0.1369 32 H 4.2570 -1.5241 0.1076 H 1 UNL1111111111 0.1354 33 H -1.8017 -0.2654 -1.9454 H 1 UNL1111111111 0.2016 34 H 5.5231 0.1439 -1.3333 H 1 UNL1111111111 0.1362 35 H 5.4172 1.3392 -0.0381 H 1 UNL1111111111 0.1374 36 H 6.6597 -0.2425 1.5172 H 1 UNL1111111111 0.1365 37 H 6.7723 -1.4301 0.2155 H 1 UNL1111111111 0.1360 38 H 8.0488 0.2443 -1.2037 H 1 UNL1111111111 0.1364 39 H 7.9323 1.4349 0.0937 H 1 UNL1111111111 0.1368 40 H 9.1747 -0.1426 1.6510 H 1 UNL1111111111 0.1335 41 H 9.2958 -1.3296 0.3492 H 1 UNL1111111111 0.1334 42 H -3.2557 -0.9660 1.3894 H 1 UNL1111111111 0.3181 43 H -4.0191 1.0019 -1.8609 H 1 UNL1111111111 0.3163 44 H -5.0833 -2.7013 1.5704 H 1 UNL1111111111 0.1490 45 H -5.4947 -2.3083 -0.1211 H 1 UNL1111111111 0.1781 46 H -5.3905 2.7188 -1.0630 H 1 UNL1111111111 0.1513 47 H -4.0889 3.2514 0.0534 H 1 UNL1111111111 0.1679 48 H -7.0368 -1.1200 1.4276 H 1 UNL1111111111 0.1570 49 H -5.6920 -0.3978 2.3381 H 1 UNL1111111111 0.1403 50 H -4.5216 1.3473 1.5912 H 1 UNL1111111111 0.1417 51 H -6.0055 2.3064 1.3495 H 1 UNL1111111111 0.1534 52 H -5.8961 0.1725 -0.5426 H 1 UNL1111111111 0.2632 53 H 10.6123 0.3301 -1.0458 H 1 UNL1111111111 0.1423 54 H 10.4860 1.5229 0.2525 H 1 UNL1111111111 0.1424 55 H 11.4017 0.0336 0.5072 H 1 UNL1111111111 0.1399 @BOND 1 1 15 2 2 2 16 2 3 3 15 am 4 3 18 1 5 3 42 1 6 4 16 am 7 4 19 1 8 4 43 1 9 5 20 1 10 5 21 1 11 5 52 1 12 6 7 1 13 6 8 1 14 6 25 1 15 6 26 1 16 7 9 1 17 7 23 1 18 7 24 1 19 8 10 1 20 8 27 1 21 8 28 1 22 9 11 1 23 9 29 1 24 9 30 1 25 10 12 1 26 10 31 1 27 10 32 1 28 11 15 1 29 11 16 1 30 11 33 1 31 12 13 1 32 12 34 1 33 12 35 1 34 13 14 1 35 13 36 1 36 13 37 1 37 14 17 1 38 14 38 1 39 14 39 1 40 17 22 1 41 17 40 1 42 17 41 1 43 18 20 1 44 18 44 1 45 18 45 1 46 19 21 1 47 19 46 1 48 19 47 1 49 20 48 1 50 20 49 1 51 21 50 1 52 21 51 1 53 22 53 1 54 22 54 1 55 22 55 1