Up
forcefield mm+
sys 0 0 1
view 40 0.10809 55 15 1 0 0 0 1 0 0 0 1 -0.1037 -0.10595 -54.765
seed -1111
mol 1
atom 1 - C ** - 0 -3.2887 0.8913 -0.5708 2 2 s 6 d
atom 2 - C ** - 0 -3.2316 2.2076 -0.1649 3 1 s 3 d 24 s
atom 3 - C ** - 0 -2.0171 2.810699 -0.0485 2 2 d 4 s
atom 4 - C ** - 0 -1.006999 2.1829 -0.0725 2 3 s 5 d
atom 5 - C ** - 0 -0.8393 1.0671 -0.0105 3 4 d 6 s 7 s
atom 6 - C ** - 0 -2.4222 0.1137 -1.037099 2 1 d 5 s
atom 7 - C ** - 0 0.3045 0.4858 0.3486 3 5 s 8 s 14 d
atom 8 - C ** - 0 1.5356 -2.2054 0.3233 3 7 s 9 s 13 d
atom 9 - C ** - 0 2.3375 -2.9159 0.130899 2 8 s 10 d
atom 10 - C ** - 0 1.9457 -3.9294 0.0051 2 9 d 11 s
atom 11 - C ** - 0 0.5521 -3.9973 0.108 3 10 s 12 d 23 s
atom 12 - C ** - 0 -0.749 -2.556 0.3205 2 11 d 13 s
atom 13 - C ** - 0 -1.117 -0.0939 0.7344 2 8 d 12 s
atom 14 - C ** - 0 2.117 0.9586 0.2526 3 7 d 15 s 21 s
atom 15 - C ** - 0 2.9965 2.6653 0.1311 3 14 s 16 d 20 s
atom 16 - C ** - 0 3.8737 3.3207 -0.0803 2 15 d 17 s
atom 17 - C ** - 0 3.3418 4.5931 -0.0349 2 16 s 18 d
atom 18 - C ** - 0 2.0715 5.1069 -0.0122 2 17 d 19 s
atom 19 - C ** - 0 1.0741 4.4754 -0.0067 2 18 s 20 d
atom 20 - C ** - 0 1.6618 3.271 0.1078 2 15 s 19 d
atom 21 - C ** - 0 3.3884 0.1993 -0.0456 2 14 s 22 t
atom 22 - N ** - 0 4.3622 -0.3814 -0.2454 1 21 t
atom 23 - O ** - 0 0.4205 -5.4911 -0.0104 1 11 s
atom 24 - O ** - 0 -4.4254 2.9474 0.0091 1 2 s
endmol 1
Powered by
