@MOLECULE 1,3-bis(4-hydroxycyclohexyl)-1-nitrosourea 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 O -4.1354 2.4687 -0.1297 O.3 1 UNL111111111 -0.5618 2 O 5.6763 -0.1850 0.7510 O.3 1 UNL111111111 -0.5662 3 O -0.3333 0.9217 -0.3169 O.2 1 UNL111111111 -0.5250 4 O -1.6221 -3.3058 0.4026 O.2 1 UNL111111111 -0.2402 5 N -1.1193 -1.2119 0.0598 N.am 1 UNL111111111 -0.4554 6 N 1.2251 -0.7361 -0.1887 N.am 1 UNL111111111 -0.6044 7 N -0.7653 -2.4950 0.2283 N.2 1 UNL111111111 0.1967 8 C -2.5328 -0.7422 0.0911 C.3 1 UNL111111111 0.0763 9 C 2.3565 0.1935 -0.3801 C.3 1 UNL111111111 0.1236 10 C -2.9095 -0.0612 -1.2374 C.3 1 UNL111111111 -0.2971 11 C -2.7676 0.2368 1.2539 C.3 1 UNL111111111 -0.2967 12 C 3.4811 -0.5787 -1.0986 C.3 1 UNL111111111 -0.2953 13 C 2.8557 0.7055 0.9878 C.3 1 UNL111111111 -0.2948 14 C -4.3989 0.2853 -1.2071 C.3 1 UNL111111111 -0.3340 15 C -4.2473 0.6246 1.3209 C.3 1 UNL111111111 -0.2929 16 C -4.7448 1.1946 -0.0178 C.3 1 UNL111111111 0.1674 17 C 4.7033 0.3154 -1.3095 C.3 1 UNL111111111 -0.2915 18 C 4.0531 1.6319 0.7831 C.3 1 UNL111111111 -0.3315 19 C 5.1820 0.9244 0.0175 C.3 1 UNL111111111 0.1614 20 C -0.0580 -0.2486 -0.1570 C.2 1 UNL111111111 0.7238 21 H -3.1769 -1.6536 0.2341 H 1 UNL111111111 0.1546 22 H 2.0137 1.0602 -1.0071 H 1 UNL111111111 0.1605 23 H -2.6760 -0.7137 -2.0930 H 1 UNL111111111 0.1416 24 H -2.3037 0.8617 -1.3739 H 1 UNL111111111 0.1807 25 H -2.1607 1.1583 1.0991 H 1 UNL111111111 0.1863 26 H -2.4306 -0.1983 2.2102 H 1 UNL111111111 0.1406 27 H 3.1153 -0.9733 -2.0657 H 1 UNL111111111 0.1456 28 H 3.7847 -1.4621 -0.4920 H 1 UNL111111111 0.1614 29 H 3.1413 -0.1487 1.6310 H 1 UNL111111111 0.1533 30 H 2.0392 1.2337 1.5180 H 1 UNL111111111 0.1541 31 H -4.6867 0.7766 -2.1550 H 1 UNL111111111 0.1427 32 H -5.0012 -0.6371 -1.1531 H 1 UNL111111111 0.1490 33 H -4.8714 -0.2386 1.6117 H 1 UNL111111111 0.1385 34 H -4.3823 1.3951 2.1095 H 1 UNL111111111 0.1594 35 H -5.8431 1.3935 0.0212 H 1 UNL111111111 0.1116 36 H 5.5343 -0.2848 -1.7402 H 1 UNL111111111 0.1561 37 H 4.4852 1.1187 -2.0348 H 1 UNL111111111 0.1424 38 H 3.7428 2.5386 0.2278 H 1 UNL111111111 0.1520 39 H 4.4269 1.9917 1.7594 H 1 UNL111111111 0.1407 40 H 6.0368 1.6189 -0.1516 H 1 UNL111111111 0.1065 41 H 1.4337 -1.7044 0.0110 H 1 UNL111111111 0.3331 42 H -4.0105 2.7240 -1.0638 H 1 UNL111111111 0.3149 43 H 5.9404 0.0748 1.6506 H 1 UNL111111111 0.3120 @BOND 1 1 16 1 2 1 42 1 3 2 19 1 4 2 43 1 5 3 20 2 6 4 7 2 7 5 7 1 8 5 8 1 9 5 20 am 10 6 9 1 11 6 20 am 12 6 41 1 13 8 10 1 14 8 11 1 15 8 21 1 16 9 12 1 17 9 13 1 18 9 22 1 19 10 14 1 20 10 23 1 21 10 24 1 22 11 15 1 23 11 25 1 24 11 26 1 25 12 17 1 26 12 27 1 27 12 28 1 28 13 18 1 29 13 29 1 30 13 30 1 31 14 16 1 32 14 31 1 33 14 32 1 34 15 16 1 35 15 33 1 36 15 34 1 37 16 35 1 38 17 19 1 39 17 36 1 40 17 37 1 41 18 19 1 42 18 38 1 43 18 39 1 44 19 40 1