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#Iter. ENE RMS Bond Angle Dihedral VDW14 Q14
1 7.2583E+03 4.4127E+03 5.4393E+03 4.4860E+02 1.2000E+00 1.3693E+03 0.0000E+00
2 7.1545E+03 4.0647E+03 5.4379E+03 4.4808E+02 1.2000E+00 1.2674E+03 0.0000E+00
3 7.0407E+03 3.6876E+03 5.4360E+03 4.4746E+02 1.2000E+00 1.1560E+03 0.0000E+00
4 6.9178E+03 3.2870E+03 5.4335E+03 4.4670E+02 1.2000E+00 1.0364E+03 0.0000E+00
5 6.7877E+03 2.8718E+03 5.4301E+03 4.4577E+02 1.2000E+00 9.1060E+02 0.0000E+00
6 6.6528E+03 2.4530E+03 5.4253E+03 4.4462E+02 1.2000E+00 7.8165E+02 0.0000E+00
7 6.5162E+03 2.0456E+03 5.4185E+03 4.4320E+02 1.2000E+00 6.5332E+02 0.0000E+00
8 6.3812E+03 1.6665E+03 5.4085E+03 4.4142E+02 1.2000E+00 5.3005E+02 0.0000E+00
9 6.2505E+03 1.3330E+03 5.3935E+03 4.3919E+02 1.2000E+00 4.1655E+02 0.0000E+00
10 6.1256E+03 1.0607E+03 5.3708E+03 4.3637E+02 1.2000E+00 3.1724E+02 0.0000E+00
11 6.0057E+03 8.5873E+02 5.3362E+03 4.3283E+02 1.2000E+00 2.3550E+02 0.0000E+00
12 5.8871E+03 7.2480E+02 5.2848E+03 4.2843E+02 1.2000E+00 1.7265E+02 0.0000E+00
13 5.7637E+03 6.4389E+02 5.2120E+03 4.2313E+02 1.2000E+00 1.2731E+02 0.0000E+00
14 5.6291E+03 5.9598E+02 5.1151E+03 4.1693E+02 1.2000E+00 9.5811E+01 0.0000E+00
15 5.4774E+03 5.6522E+02 4.9924E+03 4.0983E+02 1.2000E+00 7.3989E+01 0.0000E+00
16 5.3036E+03 5.4237E+02 4.8420E+03 4.0180E+02 1.2000E+00 5.8569E+01 0.0000E+00
17 5.1028E+03 5.2259E+02 4.6615E+03 3.9276E+02 1.2000E+00 4.7375E+01 0.0000E+00
18 4.8707E+03 5.0341E+02 4.4478E+03 3.8268E+02 1.2000E+00 3.9041E+01 0.0000E+00
19 4.6027E+03 4.8339E+02 4.1972E+03 3.7161E+02 1.2000E+00 3.2702E+01 0.0000E+00
20 4.2947E+03 4.6163E+02 3.9060E+03 3.5972E+02 1.2000E+00 2.7790E+01 0.0000E+00
21 3.9431E+03 4.3738E+02 3.5706E+03 3.4738E+02 1.2000E+00 2.3910E+01 0.0000E+00
22 3.5454E+03 4.0995E+02 3.1882E+03 3.3521E+02 1.2000E+00 2.0768E+01 0.0000E+00
23 3.1013E+03 3.7856E+02 2.7580E+03 3.2397E+02 1.2000E+00 1.8125E+01 0.0000E+00
24 2.6142E+03 3.4227E+02 2.2829E+03 3.1429E+02 1.2000E+00 1.5760E+01 0.0000E+00
25 2.0933E+03 2.9996E+02 1.7726E+03 3.0609E+02 1.2000E+00 1.3454E+01 0.0000E+00
26 1.5578E+03 2.5030E+02 1.2476E+03 2.9798E+02 1.2000E+00 1.1009E+01 0.0000E+00
27 1.0414E+03 1.9215E+02 7.4516E+02 2.8660E+02 1.2000E+00 8.4116E+00 0.0000E+00
28 5.9772E+02 1.2525E+02 3.2420E+02 2.6579E+02 1.2000E+00 6.5276E+00 0.0000E+00
29 3.0654E+02 4.8479E+01 6.4239E+01 2.2762E+02 1.2000E+00 1.3480E+01 0.0000E+00
30 3.3187E+02 1.6596E+02 7.8000E+00 2.1464E+02 1.2000E+00 1.0823E+02 0.0000E+00
31 2.2959E+02 9.4346E+01 1.3989E+01 2.0905E+02 1.2000E+00 5.3545E+00 0.0000E+00
32 2.9649E+02 1.6635E+02 9.5806E+01 1.9794E+02 1.2000E+00 1.5487E+00 0.0000E+00
33 1.7704E+02 3.3954E+01 6.5399E+00 1.6761E+02 1.2000E+00 1.6945E+00 0.0000E+00
34 2.2219E+02 1.1266E+02 4.0044E+01 1.7988E+02 1.2000E+00 1.0653E+00 0.0000E+00
35 1.6936E+02 3.3180E+01 3.4996E+00 1.6378E+02 1.2000E+00 8.8335E-01 0.0000E+00
36 1.8044E+02 6.2357E+01 1.4191E+01 1.6444E+02 1.2000E+00 6.0101E-01 0.0000E+00
37 1.6378E+02 1.4805E+01 1.3971E+00 1.6055E+02 1.2000E+00 6.2831E-01 0.0000E+00
38 1.6903E+02 3.9996E+01 5.1523E+00 1.6212E+02 1.2000E+00 5.6070E-01 0.0000E+00
39 1.6233E+02 1.1594E+01 5.2889E-01 1.6008E+02 1.2000E+00 5.1522E-01 0.0000E+00
40 1.6357E+02 2.2156E+01 1.9961E+00 1.5995E+02 1.2000E+00 4.2847E-01 0.0000E+00
41 1.6144E+02 5.4875E+00 2.7015E-01 1.5954E+02 1.2000E+00 4.3284E-01 0.0000E+00
42 1.6185E+02 1.3191E+01 5.7252E-01 1.5967E+02 1.2000E+00 4.0071E-01 0.0000E+00
43 1.6108E+02 3.3839E+00 7.5498E-02 1.5942E+02 1.2000E+00 3.8514E-01 0.0000E+00
44 1.6117E+02 7.4473E+00 2.5187E-01 1.5937E+02 1.2000E+00 3.4758E-01 0.0000E+00
45 1.6092E+02 1.8440E+00 4.1540E-02 1.5933E+02 1.2000E+00 3.4745E-01 0.0000E+00
46 1.6090E+02 3.6624E+00 4.7351E-02 1.5932E+02 1.2000E+00 3.2940E-01 0.0000E+00
47 1.6094E+02 5.2270E+00 1.0816E-01 1.5932E+02 1.2000E+00 3.1364E-01 0.0000E+00
48 1.6082E+02 1.0816E+00 9.9754E-03 1.5929E+02 1.2000E+00 3.1420E-01 0.0000E+00
49 1.6082E+02 2.8410E+00 2.9672E-02 1.5929E+02 1.2000E+00 3.0240E-01 0.0000E+00
50 1.6079E+02 5.3593E-01 1.6717E-03 1.5929E+02 1.2000E+00 2.9863E-01 0.0000E+00
51 1.6078E+02 7.4885E-01 1.6310E-03 1.5929E+02 1.2000E+00 2.8730E-01 0.0000E+00
52 1.6081E+02 2.8504E+00 3.6920E-02 1.5929E+02 1.2000E+00 2.8461E-01 0.0000E+00
53 1.6078E+02 9.3086E-01 6.6103E-03 1.5929E+02 1.2000E+00 2.8262E-01 0.0000E+00
54 1.6078E+02 1.3736E+00 4.6952E-03 1.5930E+02 1.2000E+00 2.7918E-01 0.0000E+00
55 1.6077E+02 2.6064E-01 1.4520E-03 1.5929E+02 1.2000E+00 2.7961E-01 0.0000E+00
56 1.6077E+02 9.1459E-01 8.5458E-03 1.5929E+02 1.2000E+00 2.7768E-01 0.0000E+00
57 1.6077E+02 2.3647E-01 3.5335E-03 1.5929E+02 1.2000E+00 2.7688E-01 0.0000E+00
58 1.6077E+02 5.5303E-01 2.1025E-03 1.5929E+02 1.2000E+00 2.7514E-01 0.0000E+00
59 1.6077E+02 1.5096E-01 2.6345E-03 1.5929E+02 1.2000E+00 2.7528E-01 0.0000E+00
60 1.6077E+02 3.1511E-01 4.8268E-03 1.5929E+02 1.2000E+00 2.7484E-01 0.0000E+00
61 1.6077E+02 8.2105E-02 3.6161E-03 1.5929E+02 1.2000E+00 2.7450E-01 0.0000E+00
62 1.6077E+02 1.7313E-01 3.0334E-03 1.5929E+02 1.2000E+00 2.7367E-01 0.0000E+00
63 1.6077E+02 4.3640E-02 3.5496E-03 1.5929E+02 1.2000E+00 2.7367E-01 0.0000E+00
64 1.6077E+02 7.4336E-02 4.1223E-03 1.5929E+02 1.2000E+00 2.7322E-01 0.0000E+00
65 1.6077E+02 1.3407E-01 3.4543E-03 1.5929E+02 1.2000E+00 2.7280E-01 0.0000E+00
66 1.6077E+02 3.3039E-02 3.8534E-03 1.5929E+02 1.2000E+00 2.7282E-01 0.0000E+00
67 1.6077E+02 7.6095E-02 4.3912E-03 1.5929E+02 1.2000E+00 2.7262E-01 0.0000E+00
68 1.6077E+02 1.8426E-02 4.1265E-03 1.5929E+02 1.2000E+00 2.7252E-01 0.0000E+00
69 1.6077E+02 3.6744E-02 4.0239E-03 1.5929E+02 1.2000E+00 2.7228E-01 0.0000E+00
70 1.6077E+02 5.5053E-02 4.4411E-03 1.5929E+02 1.2000E+00 2.7226E-01 0.0000E+00
71 1.6077E+02 1.1789E-02 4.2476E-03 1.5929E+02 1.2000E+00 2.7219E-01 0.0000E+00
72 1.6077E+02 3.1253E-02 4.1431E-03 1.5929E+02 1.2000E+00 2.7203E-01 0.0000E+00
73 1.6077E+02 6.3600E-03 4.2630E-03 1.5929E+02 1.2000E+00 2.7203E-01 0.0000E+00
74 1.6077E+02 1.3942E-02 4.3735E-03 1.5929E+02 1.2000E+00 2.7195E-01 0.0000E+00
75 1.6077E+02 2.5713E-02 4.2261E-03 1.5929E+02 1.2000E+00 2.7188E-01 0.0000E+00
76 1.6077E+02 6.1500E-03 4.3115E-03 1.5929E+02 1.2000E+00 2.7189E-01 0.0000E+00
77 1.6077E+02 1.6243E-02 4.4183E-03 1.5929E+02 1.2000E+00 2.7187E-01 0.0000E+00
78 1.6077E+02 4.5441E-03 4.3691E-03 1.5929E+02 1.2000E+00 2.7185E-01 0.0000E+00
79 1.6077E+02 9.1347E-03 4.3232E-03 1.5929E+02 1.2000E+00 2.7182E-01 0.0000E+00
80 1.6077E+02 2.3628E-03 4.3548E-03 1.5929E+02 1.2000E+00 2.7182E-01 0.0000E+00
81 1.6077E+02 5.0711E-03 4.3910E-03 1.5929E+02 1.2000E+00 2.7181E-01 0.0000E+00
82 1.6077E+02 1.2715E-03 4.3744E-03 1.5929E+02 1.2000E+00 2.7181E-01 0.0000E+00
83 1.6077E+02 2.2912E-03 4.3687E-03 1.5929E+02 1.2000E+00 2.7179E-01 0.0000E+00
84 1.6077E+02 3.8054E-03 4.3965E-03 1.5929E+02 1.2000E+00 2.7179E-01 0.0000E+00
85 1.6077E+02 8.9391E-04 4.3842E-03 1.5929E+02 1.2000E+00 2.7178E-01 0.0000E+00
86 1.6077E+02 2.1527E-03 4.3763E-03 1.5929E+02 1.2000E+00 2.7177E-01 0.0000E+00
87 1.6077E+02 4.9239E-04 4.3846E-03 1.5929E+02 1.2000E+00 2.7177E-01 0.0000E+00
88 1.6077E+02 9.8773E-04 4.3923E-03 1.5929E+02 1.2000E+00 2.7177E-01 0.0000E+00
89 1.6077E+02 1.6657E-03 4.3826E-03 1.5929E+02 1.2000E+00 2.7176E-01 0.0000E+00
90 1.6077E+02 3.8111E-04 4.3885E-03 1.5929E+02 1.2000E+00 2.7176E-01 0.0000E+00
91 1.6077E+02 1.0140E-03 4.3953E-03 1.5929E+02 1.2000E+00 2.7176E-01 0.0000E+00
92 1.6077E+02 2.5142E-04 4.3921E-03 1.5929E+02 1.2000E+00 2.7176E-01 0.0000E+00
93 1.6077E+02 5.8127E-04 4.3898E-03 1.5929E+02 1.2000E+00 2.7176E-01 0.0000E+00
94 1.6077E+02 1.4281E-04 4.3919E-03 1.5929E+02 1.2000E+00 2.7176E-01 0.0000E+00
95 1.6077E+02 4.0331E-03 4.4161E-03 1.5929E+02 1.2000E+00 2.7174E-01 0.0000E+00
96 1.6077E+02 8.2590E-04 4.4024E-03 1.5929E+02 1.2000E+00 2.7174E-01 0.0000E+00
97 1.6077E+02 2.9619E-03 4.3856E-03 1.5929E+02 1.2000E+00 2.7174E-01 0.0000E+00
98 1.6077E+02 1.0308E-03 4.3934E-03 1.5929E+02 1.2000E+00 2.7174E-01 0.0000E+00
99 1.6077E+02 1.2897E-03 4.4025E-03 1.5929E+02 1.2000E+00 2.7174E-01 0.0000E+00
100 1.6077E+02 1.6605E-04 4.3976E-03 1.5929E+02 1.2000E+00 2.7174E-01 0.0000E+00
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