Library Powered by BSD http://bsd.org/ FreeBSD http://freebsd.org/ MySQL http://mysql.com/ Apache http://apache.org/ PHP http://php.net/ PHP http://SourceForge.net/
© September 2007; August 2010 Lorentz JÄNTSCHI && Sorana Daniela BOLBOACĂ

up one level Up

forcefield mm+
sys 0 0 1
view 40 0.12642 55 15 0.02770706 -0.5400751 -0.8411606 -0.2396828 0.813347 -0.5301121 0.9704558 0.2162996 -0.1069113 1.0129 -0.25042 -56.062
seed 0
mol 1
atom 1 - C ** - -0.1371202 -0.01028687 0.2377563 0.8133823 2 2 s 5 s
atom 2 - N ** - -0.09098053 -0.2166817 1.436043 -0.03114311 3 1 s 3 s 20 s
atom 3 - C ** - -0.0711422 0.8116145 2.501982 0.1184384 2 2 s 4 s
atom 4 - C ** - -0.08028889 2.250113 2.004528 0.07964028 2 3 s 6 s
atom 5 - C ** - -0.09130716 1.410558 -0.308404 0.7585439 2 1 s 6 s
atom 6 - N ** - -0.06172419 2.493988 0.7046198 0.7505645 3 4 s 5 s 7 s
atom 7 - C ** - -0.07432127 3.806764 0.1231428 0.4184799 2 6 s 8 s
atom 8 - C ** - 0.2193506 4.220965 -0.250529 -1.008767 3 7 s 9 d 10 s
atom 9 - O ** - -0.3539138 5.371091 -0.6080248 -1.215764 1 8 d
atom 10 - N ** - 0.05220127 3.495015 -0.1278867 -2.249147 2 8 s 11 s
atom 11 - C ** - -0.2347188 2.099568 -0.3580249 -2.455832 3 10 s 12 d 15 s
atom 12 - N ** - -0.02601862 1.309746 0.6566333 -2.870901 2 11 d 13 s
atom 13 - N ** - 0.06042433 0.01639042 0.3458791 -2.904105 2 12 s 14 d
atom 14 - C ** - -0.6837807 -0.2669743 -0.9155504 -2.535967 3 13 d 15 s 16 s
atom 15 - S ** - 0.3560948 1.18104 -1.866479 -2.269216 2 11 s 14 s
atom 16 - S ** - 2.229566 -1.929426 -1.499564 -2.060672 4 14 s 17 s 18 d 19 d
atom 17 - N ** - -0.4078283 -3.051934 -0.2004576 -2.415743 1 16 s
atom 18 - O ** - -0.7905302 -2.287294 -2.652939 -2.84835 1 16 d
atom 19 - O ** - -0.8439388 -1.880951 -1.62078 -0.5984176 1 16 d
atom 20 - C ** - -0.02166891 -1.583344 2.039593 -0.1430001 2 2 s 21 s
atom 21 - C ** - -0.08338642 -2.774137 1.645106 0.6834868 3 20 s 22 d 26 s
atom 22 - C ** - -0.1328278 -4.021952 2.003717 0.144455 2 21 d 23 s
atom 23 - C ** - -0.09543037 -5.19823 1.76246 0.8384973 2 22 s 24 d
atom 24 - C ** - -0.1035461 -5.159512 1.136168 2.081468 2 23 d 25 s
atom 25 - C ** - -0.08852339 -3.934875 0.7710995 2.620781 2 24 s 26 d
atom 26 - C ** - -0.09580612 -2.751766 1.039926 1.936189 2 21 s 25 d
endmol 1