@MOLECULE 1,12-diisocyanatododecane 42 41 0 0 0 SMALL GASTEIGER @ATOM 1 O -8.9532 -1.6083 -0.3509 O.2 1 UNL111111111 -0.3362 2 O 7.3804 2.2514 -0.3558 O.2 1 UNL111111111 -0.3389 3 N -7.1643 -0.0376 -0.3373 N.2 1 UNL111111111 -0.5223 4 N 7.6098 -0.1146 -0.2878 N.2 1 UNL111111111 -0.5243 5 C -0.3500 0.5015 0.1640 C.3 1 UNL111111111 -0.2732 6 C 0.6888 -0.6257 0.0926 C.3 1 UNL111111111 -0.2730 7 C -1.7704 -0.0738 0.2298 C.3 1 UNL111111111 -0.2721 8 C 2.1041 -0.0820 0.3271 C.3 1 UNL111111111 -0.2725 9 C -2.8173 1.0343 0.0541 C.3 1 UNL111111111 -0.2738 10 C 3.1566 -1.1198 -0.0823 C.3 1 UNL111111111 -0.2714 11 C -4.2288 0.4902 0.3098 C.3 1 UNL111111111 -0.2662 12 C 4.5596 -0.6809 0.3572 C.3 1 UNL111111111 -0.2721 13 C -5.2885 1.5049 -0.1329 C.3 1 UNL111111111 -0.2735 14 C 5.6193 -1.6150 -0.2344 C.3 1 UNL111111111 -0.3088 15 C -6.6922 1.1257 0.3772 C.3 1 UNL111111111 -0.0108 16 C 7.0311 -1.3008 0.2916 C.3 1 UNL111111111 -0.0116 17 C -8.1364 -0.7740 -0.2251 C.1 1 UNL111111111 0.5463 18 C 7.3631 1.0848 -0.2305 C.1 1 UNL111111111 0.5555 19 H -0.2451 1.1611 -0.7183 H 1 UNL111111111 0.1379 20 H -0.1614 1.1424 1.0454 H 1 UNL111111111 0.1361 21 H 0.6277 -1.1257 -0.8920 H 1 UNL111111111 0.1380 22 H 0.4581 -1.4058 0.8421 H 1 UNL111111111 0.1362 23 H -1.9210 -0.5902 1.1961 H 1 UNL111111111 0.1363 24 H -1.9086 -0.8446 -0.5518 H 1 UNL111111111 0.1402 25 H 2.2275 0.1932 1.3909 H 1 UNL111111111 0.1369 26 H 2.2551 0.8526 -0.2455 H 1 UNL111111111 0.1409 27 H -2.6058 1.8727 0.7435 H 1 UNL111111111 0.1342 28 H -2.7484 1.4547 -0.9679 H 1 UNL111111111 0.1386 29 H 3.1283 -1.2646 -1.1793 H 1 UNL111111111 0.1399 30 H 2.9130 -2.1037 0.3599 H 1 UNL111111111 0.1368 31 H -4.3481 0.2417 1.3801 H 1 UNL111111111 0.1347 32 H -4.3808 -0.4620 -0.2371 H 1 UNL111111111 0.1537 33 H 4.6203 -0.6733 1.4617 H 1 UNL111111111 0.1380 34 H 4.7462 0.3613 0.0344 H 1 UNL111111111 0.1407 35 H -5.0350 2.5155 0.2399 H 1 UNL111111111 0.1411 36 H -5.2985 1.5764 -1.2393 H 1 UNL111111111 0.1590 37 H 5.6101 -1.5498 -1.3410 H 1 UNL111111111 0.1597 38 H 5.3731 -2.6675 0.0041 H 1 UNL111111111 0.1494 39 H -7.3929 1.9790 0.2069 H 1 UNL111111111 0.1360 40 H -6.6615 0.9320 1.4745 H 1 UNL111111111 0.1358 41 H 7.7290 -2.1364 0.0215 H 1 UNL111111111 0.1612 42 H 7.0306 -1.2319 1.4056 H 1 UNL111111111 0.1376 @BOND 1 1 17 2 2 2 18 2 3 3 15 1 4 3 17 2 5 4 16 1 6 4 18 2 7 5 6 1 8 5 7 1 9 5 19 1 10 5 20 1 11 6 8 1 12 6 21 1 13 6 22 1 14 7 9 1 15 7 23 1 16 7 24 1 17 8 10 1 18 8 25 1 19 8 26 1 20 9 11 1 21 9 27 1 22 9 28 1 23 10 12 1 24 10 29 1 25 10 30 1 26 11 13 1 27 11 31 1 28 11 32 1 29 12 14 1 30 12 33 1 31 12 34 1 32 13 15 1 33 13 35 1 34 13 36 1 35 14 16 1 36 14 37 1 37 14 38 1 38 15 39 1 39 15 40 1 40 16 41 1 41 16 42 1