@MOLECULE n,n-diamylnitrosamine 35 34 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.8799 -3.1500 -0.9072 O.2 1 UNL1111111111 -0.3120 2 N -0.0167 -1.6856 0.4225 N.pl3 1 UNL1111111111 -0.3546 3 N 0.1203 -2.6861 -0.4340 N.2 1 UNL1111111111 0.2044 4 C -1.6120 0.1748 -0.0319 C.3 1 UNL1111111111 -0.2992 5 C 1.8630 -0.1584 -0.1684 C.3 1 UNL1111111111 -0.3021 6 C -1.3085 -1.0842 0.7970 C.3 1 UNL1111111111 -0.1183 7 C 1.2237 -1.0544 0.9089 C.3 1 UNL1111111111 -0.0607 8 C -2.9904 0.7304 0.3399 C.3 1 UNL1111111111 -0.2715 9 C 3.0592 0.5968 0.4170 C.3 1 UNL1111111111 -0.2703 10 C -3.2884 2.0079 -0.4569 C.3 1 UNL1111111111 -0.2443 11 C 3.6968 1.5007 -0.6472 C.3 1 UNL1111111111 -0.2459 12 C -4.6545 2.5789 -0.0761 C.3 1 UNL1111111111 -0.4388 13 C 4.8983 2.2520 -0.0747 C.3 1 UNL1111111111 -0.4431 14 H -0.8336 0.9421 0.1351 H 1 UNL1111111111 0.1423 15 H -1.5760 -0.0684 -1.1119 H 1 UNL1111111111 0.1550 16 H 2.1802 -0.7779 -1.0305 H 1 UNL1111111111 0.1584 17 H 1.1185 0.5521 -0.5730 H 1 UNL1111111111 0.1481 18 H -1.2979 -0.8471 1.8825 H 1 UNL1111111111 0.1409 19 H -2.1145 -1.8427 0.6450 H 1 UNL1111111111 0.1653 20 H 1.9408 -1.8541 1.2107 H 1 UNL1111111111 0.1533 21 H 0.9918 -0.4639 1.8220 H 1 UNL1111111111 0.1419 22 H -3.7736 -0.0265 0.1417 H 1 UNL1111111111 0.1435 23 H -3.0400 0.9427 1.4241 H 1 UNL1111111111 0.1369 24 H 2.7445 1.2052 1.2854 H 1 UNL1111111111 0.1357 25 H 3.8119 -0.1170 0.8021 H 1 UNL1111111111 0.1396 26 H -3.2589 1.7922 -1.5422 H 1 UNL1111111111 0.1375 27 H -2.4998 2.7621 -0.2755 H 1 UNL1111111111 0.1326 28 H 2.9495 2.2207 -1.0314 H 1 UNL1111111111 0.1352 29 H 4.0105 0.8955 -1.5194 H 1 UNL1111111111 0.1377 30 H -4.8788 3.4862 -0.6477 H 1 UNL1111111111 0.1400 31 H -5.4581 1.8600 -0.2727 H 1 UNL1111111111 0.1447 32 H -4.6986 2.8407 0.9866 H 1 UNL1111111111 0.1410 33 H 5.3629 2.8936 -0.8319 H 1 UNL1111111111 0.1419 34 H 4.6088 2.8934 0.7650 H 1 UNL1111111111 0.1422 35 H 5.6690 1.5624 0.2872 H 1 UNL1111111111 0.1429 @BOND 1 1 3 2 2 2 3 1 3 2 6 1 4 2 7 1 5 4 6 1 6 4 8 1 7 4 14 1 8 4 15 1 9 5 7 1 10 5 9 1 11 5 16 1 12 5 17 1 13 6 18 1 14 6 19 1 15 7 20 1 16 7 21 1 17 8 10 1 18 8 22 1 19 8 23 1 20 9 11 1 21 9 24 1 22 9 25 1 23 10 12 1 24 10 26 1 25 10 27 1 26 11 13 1 27 11 28 1 28 11 29 1 29 12 30 1 30 12 31 1 31 12 32 1 32 13 33 1 33 13 34 1 34 13 35 1