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© September 2007; August 2010 Lorentz JÄNTSCHI && Sorana Daniela BOLBOACĂ

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forcefield mm+
sys 0 0 1
view 40 0.095555 64.9 24.9 -0.2943377 0.397836 -0.8689602 -0.05975589 -0.9151201 -0.3987286 -0.9538315 -0.06543535 0.2931273 -0.90099 -3.4523 -64.652
seed 0
mol 1
atom 1 - C ** - 0.1913171 1.1169 -0.3276 0.5608 3 2 d 6 s 36 s
atom 2 - C ** - 0.01071501 0.7127 1.2729 -0.3459 3 1 d 3 s 16 s
atom 3 - C ** - 0.3034792 1.535699 3.1041 -1.0446 4 2 s 4 s 25 s 26 s
atom 4 - C ** - 0.2386954 3.5859 1.5407 -1.6633 4 3 s 5 s 7 s 8 s
atom 5 - C ** - -0.002094269 4.1978 -1.7193 -1.4844 2 4 s 6 s
atom 6 - C ** - 0.1104968 2.9032 -2.1014 0.049 3 1 s 5 s 17 s
atom 7 - O ** - -0.3168955 4.8926 2.2158 -1.4162 1 4 s
atom 8 - C ** - 0.1514099 3.4499 1.0914 -3.0845 3 4 s 9 s 32 s
atom 9 - C ** - -0.1942673 3.6094 2.2588 -3.6846 3 8 s 10 s 14 s
atom 10 - C ** - 0.07672548 4.9487 2.3543 -4.6085 4 9 s 11 s 28 s 56 s
atom 11 - C ** - 0.04960394 4.65 4.0193 -4.8901 3 10 s 12 s 27 s
atom 12 - C ** - 0.1770246 3.1204 4.813 -3.7851 3 11 s 13 s 60 s
atom 13 - C ** - -0.08682632 1.4778 4.1041 -4.132399 3 12 s 14 s 33 s
atom 14 - C ** - 0.08115554 1.7832 2.7048 -4.3484 4 9 s 13 s 15 s 59 s
atom 15 - C ** - 0.1595278 0.0351 1.9015 -3.0811 3 14 s 16 s 34 d
atom 16 - C ** - -0.05993509 -0.6736 1.1957 -1.2216 3 2 s 15 s 35 s
atom 17 - O ** - -0.2217956 3.6437 -2.5538 1.2119 2 6 s 18 s
atom 18 - C ** - 0.3344331 3.1541 -3.9074 1.4772 3 17 s 19 s 37 d
atom 19 - C ** - 0.02567935 2.8293 -3.9938 2.8769 3 18 s 20 s 38 s
atom 20 - C ** - 0.06349635 1.266 -4.5981 3.2084 3 19 s 21 s 22 s
atom 21 - C ** - -0.1442652 1.2763 -5.0122 4.8063 3 20 s 40 d 44 s
atom 22 - N ** - -0.1693888 0.0603 -3.5395 3.3153 2 20 s 23 s
atom 23 - C ** - 0.2701766 -1.3573 -4.009699 3.4931 3 22 s 24 s 39 d
atom 24 - C ** - -0.11518 -2.4674 -3.2101 4.3065 2 23 s 57 s
atom 25 - C ** - -0.2161117 0.2673 4.401 0.3941 1 3 s
atom 26 - C ** - -0.4676223 1.114 5.4088 -1.8832 1 3 s
atom 27 - O ** - -0.302228 6.1035 4.3451 -4.2708 2 11 s 56 s
atom 28 - O ** - -0.3976274 4.8583 1.1001 -5.779 2 10 s 29 s
atom 29 - C ** - 0.3673034 3.8277 -0.0006 -6.6599 3 28 s 30 s 31 d
atom 30 - C ** - -0.05857563 2.8124 -1.4083 -6.4417 1 29 s
atom 31 - O ** - -0.2925353 3.8808 0.2166 -7.8585 1 29 d
atom 32 - O ** - -0.3860273 4.158 0.1887 -2.7034 2 8 s 45 s
atom 33 - O ** - -0.320118 0.744 4.7596 -5.2607 1 13 s
atom 34 - O ** - -0.2761831 -1.0293 2.045599 -3.6417 1 15 d
atom 35 - O ** - -0.3400564 -2.1788 1.9531 -0.5632 2 16 s 53 s
atom 36 - C ** - -0.2997332 -0.0699 -0.512399 1.6823 1 1 s
atom 37 - O ** - -0.3118887 2.9599 -4.7957 0.6373 1 18 d
atom 38 - O ** - -0.295207 3.8298 -4.8378 3.5153 1 19 s
atom 39 - O ** - -0.3489728 -1.7269 -5.0133 2.8969 1 23 d
atom 40 - C ** - -0.08925772 0.2884 -5.8793 5.3721 2 21 d 41 s
atom 41 - C ** - -0.1103039 -0.0109 -5.7602 6.7938 2 40 s 42 d
atom 42 - C ** - -0.09803152 0.8284 -5.034 7.6908 2 41 d 43 s
atom 43 - C ** - -0.1048903 2.032 -4.4399 7.2015 2 42 s 44 d
atom 44 - C ** - -0.09934139 2.2224 -4.3709 5.7926 2 21 s 43 d
atom 45 - C ** - 0.3335428 2.5555 -0.3384 -1.4622 3 32 s 46 s 52 d
atom 46 - C ** - -0.1395531 1.3403 -1.2424 -2.053599 3 45 s 47 d 51 s
atom 47 - C ** - -0.0587697 0.9051 -1.0926 -3.7442 2 46 d 48 s
atom 48 - C ** - -0.131258 -0.0639 -1.8656 -5.0673 2 47 s 49 d
atom 49 - C ** - -0.1028042 -0.9215 -2.8745 -4.6892 2 48 d 50 s
atom 50 - C ** - -0.07840014 -0.7983 -3.1126 -3.0521 2 49 s 51 d
atom 51 - C ** - -0.0515461 0.1557 -2.4355 -1.8519 2 46 s 50 d
atom 52 - O ** - -0.2961774 3.1302 0.0995 -0.1219 1 45 d
atom 53 - C ** - 0.3477187 -3.8923 1.727199 -1.039199 3 35 s 54 s 55 d
atom 54 - C ** - 0.001200199 -5.4159 2.5774 -0.7881 1 53 s
atom 55 - O ** - -0.3070092 -4.0792 0.8062 -1.8202 1 53 d
atom 56 - C ** - 0.1834805 6.6655 2.9347 -3.9439 2 10 s 27 s
atom 57 - C ** - -0.09044409 -3.0262 -2.0131 3.332799 2 24 s 58 s
atom 58 - C ** - -0.116076 -3.1002 -0.7083 4.4017 1 57 s
atom 59 - C ** - -0.1055684 1.9019 2.6951 -6.1621 1 14 s
atom 60 - O ** - -0.3326635 3.0817 6.2506 -4.0801 1 12 s
endmol 1