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#Iter. ENE RMS Bond Angle Dihedral VDW14 Q14 VDW Elec
1 1.8681E+02 1.4917E+01 1.5314E-02 1.2855E+02 1.1161E+02 5.2558E+01 7.2066E+02 -4.4981E+01 -7.8160E+02
2 1.8490E+02 1.4649E+01 2.5490E-02 1.2707E+02 1.1132E+02 5.2507E+01 7.2063E+02 -4.4983E+01 -7.8167E+02
3 1.8265E+02 1.4336E+01 6.1068E-02 1.2533E+02 1.1096E+02 5.2446E+01 7.2060E+02 -4.4985E+01 -7.8176E+02
4 1.8002E+02 1.3971E+01 1.3525E-01 1.2326E+02 1.1054E+02 5.2374E+01 7.2056E+02 -4.4987E+01 -7.8186E+02
5 1.7694E+02 1.3549E+01 2.6583E-01 1.2083E+02 1.1003E+02 5.2288E+01 7.2051E+02 -4.4991E+01 -7.8199E+02
6 1.7337E+02 1.3068E+01 4.7583E-01 1.1799E+02 1.0941E+02 5.2186E+01 7.2045E+02 -4.4996E+01 -7.8214E+02
7 1.6926E+02 1.2524E+01 7.9324E-01 1.1468E+02 1.0866E+02 5.2065E+01 7.2038E+02 -4.5002E+01 -7.8232E+02
8 1.6454E+02 1.1920E+01 1.2490E+00 1.1085E+02 1.0776E+02 5.1921E+01 7.2030E+02 -4.5011E+01 -7.8253E+02
9 1.5917E+02 1.1263E+01 1.8715E+00 1.0646E+02 1.0669E+02 5.1752E+01 7.2020E+02 -4.5023E+01 -7.8277E+02
10 1.5311E+02 1.0566E+01 2.6756E+00 1.0150E+02 1.0540E+02 5.1554E+01 7.2008E+02 -4.5041E+01 -7.8306E+02
11 1.4631E+02 9.8472E+00 3.6454E+00 9.5988E+01 1.0387E+02 5.1325E+01 7.1993E+02 -4.5066E+01 -7.8339E+02
12 1.3873E+02 9.1249E+00 4.7138E+00 8.9974E+01 1.0208E+02 5.1060E+01 7.1977E+02 -4.5100E+01 -7.8376E+02
13 1.3032E+02 8.4098E+00 5.7509E+00 8.3565E+01 1.0001E+02 5.0758E+01 7.1957E+02 -4.5148E+01 -7.8419E+02
14 1.2106E+02 7.6983E+00 6.5831E+00 7.6898E+01 9.7686E+01 5.0418E+01 7.1935E+02 -4.5212E+01 -7.8467E+02
15 1.1093E+02 6.9747E+00 7.0525E+00 7.0099E+01 9.5145E+01 5.0037E+01 7.1909E+02 -4.5296E+01 -7.8520E+02
16 9.9993E+01 6.2226E+00 7.0899E+00 6.3255E+01 9.2462E+01 4.9608E+01 7.1878E+02 -4.5401E+01 -7.8580E+02
17 8.8408E+01 5.4368E+00 6.7461E+00 5.6410E+01 8.9734E+01 4.9127E+01 7.1841E+02 -4.5531E+01 -7.8648E+02
18 7.6421E+01 4.6277E+00 6.1534E+00 4.9622E+01 8.7060E+01 4.8589E+01 7.1796E+02 -4.5691E+01 -7.8727E+02
19 6.4367E+01 3.8216E+00 5.4677E+00 4.3035E+01 8.4497E+01 4.7999E+01 7.1744E+02 -4.5896E+01 -7.8818E+02
20 5.2630E+01 3.0505E+00 4.8530E+00 3.6902E+01 8.2004E+01 4.7379E+01 7.1689E+02 -4.6176E+01 -7.8922E+02
21 4.1618E+01 2.3393E+00 4.4150E+00 3.1593E+01 7.9470E+01 4.6769E+01 7.1637E+02 -4.6562E+01 -7.9044E+02
22 3.1758E+01 1.7830E+00 4.3351E+00 2.7430E+01 7.6843E+01 4.6198E+01 7.1606E+02 -4.7055E+01 -7.9205E+02
23 2.8815E+01 7.3093E+00 7.5532E+00 2.5944E+01 7.4293E+01 4.5939E+01 7.1596E+02 -4.7559E+01 -7.9331E+02
24 9.6138E+01 2.6852E+01 7.0407E+01 3.5234E+01 7.3557E+01 4.5058E+01 7.1657E+02 -4.7526E+01 -7.9716E+02
25 3.1201E+01 9.5983E+00 1.3401E+01 2.5554E+01 7.3578E+01 4.5359E+01 7.1638E+02 -4.7612E+01 -7.9546E+02
26 3.3652E+01 1.1087E+01 1.2730E+01 2.6783E+01 7.3509E+01 4.5915E+01 7.1601E+02 -4.7695E+01 -7.9360E+02
27 2.0955E+01 1.3919E+00 4.1855E+00 2.4102E+01 7.3312E+01 4.5554E+01 7.1620E+02 -4.7665E+01 -7.9474E+02
28 2.2538E+01 6.1819E+00 7.9512E+00 2.4213E+01 7.2427E+01 4.5198E+01 7.1659E+02 -4.7775E+01 -7.9606E+02
29 1.8391E+01 1.1274E+00 4.0734E+00 2.3624E+01 7.2374E+01 4.5334E+01 7.1642E+02 -4.7788E+01 -7.9565E+02
30 1.7455E+01 2.3017E+00 5.0776E+00 2.2920E+01 7.1791E+01 4.5185E+01 7.1640E+02 -4.7797E+01 -7.9612E+02
31 1.9339E+01 5.4870E+00 6.0118E+00 2.4346E+01 7.1597E+01 4.5165E+01 7.1677E+02 -4.7937E+01 -7.9661E+02
32 1.6243E+01 1.5867E+00 3.9774E+00 2.3384E+01 7.1496E+01 4.5138E+01 7.1664E+02 -4.7899E+01 -7.9650E+02
33 1.6050E+01 2.4516E+00 5.2967E+00 2.2570E+01 7.1203E+01 4.5045E+01 7.1649E+02 -4.7844E+01 -7.9671E+02
34 1.5962E+01 3.1199E+00 4.4681E+00 2.3526E+01 7.1093E+01 4.5027E+01 7.1679E+02 -4.7953E+01 -7.9699E+02
35 1.6329E+01 4.2736E+00 6.1772E+00 2.2523E+01 7.0871E+01 4.4987E+01 7.1655E+02 -4.7878E+01 -7.9690E+02
36 1.4440E+01 1.0642E+00 4.4152E+00 2.2627E+01 7.0834E+01 4.4958E+01 7.1666E+02 -4.7912E+01 -7.9715E+02
37 1.3986E+01 1.7423E+00 3.9970E+00 2.3015E+01 7.0592E+01 4.4897E+01 7.1685E+02 -4.7979E+01 -7.9739E+02
38 1.4002E+01 2.6888E+00 5.5124E+00 2.2197E+01 7.0365E+01 4.4843E+01 7.1664E+02 -4.7912E+01 -7.9765E+02
39 1.3080E+01 9.2615E-01 4.3514E+00 2.2431E+01 7.0323E+01 4.4821E+01 7.1679E+02 -4.7956E+01 -7.9768E+02
40 1.2615E+01 1.1383E+00 4.0650E+00 2.2628E+01 7.0139E+01 4.4774E+01 7.1689E+02 -4.7997E+01 -7.9788E+02
41 1.2371E+01 1.8713E+00 4.8588E+00 2.2083E+01 6.9926E+01 4.4715E+01 7.1683E+02 -4.7965E+01 -7.9808E+02
42 1.2365E+01 2.6598E+00 4.4772E+00 2.2731E+01 6.9828E+01 4.4675E+01 7.1699E+02 -4.8030E+01 -7.9830E+02
43 1.2448E+01 3.3725E+00 5.3232E+00 2.2090E+01 6.9692E+01 4.4660E+01 7.1691E+02 -4.7991E+01 -7.9824E+02
44 1.1329E+01 8.4872E-01 4.3425E+00 2.2167E+01 6.9658E+01 4.4636E+01 7.1694E+02 -4.8005E+01 -7.9841E+02
45 1.0882E+01 1.1223E+00 4.1195E+00 2.2345E+01 6.9474E+01 4.4575E+01 7.1703E+02 -4.8039E+01 -7.9863E+02
46 1.0771E+01 2.0831E+00 4.9730E+00 2.1812E+01 6.9284E+01 4.4536E+01 7.1697E+02 -4.8005E+01 -7.9880E+02
47 1.0765E+01 2.7105E+00 4.5713E+00 2.2472E+01 6.9205E+01 4.4480E+01 7.1711E+02 -4.8065E+01 -7.9901E+02
48 1.0954E+01 3.5167E+00 5.4385E+00 2.1861E+01 6.9087E+01 4.4483E+01 7.1705E+02 -4.8027E+01 -7.9894E+02
49 9.7405E+00 8.2609E-01 4.3747E+00 2.1924E+01 6.9058E+01 4.4454E+01 7.1707E+02 -4.8041E+01 -7.9910E+02
50 9.3721E+00 1.2986E+00 4.1880E+00 2.2140E+01 6.8886E+01 4.4388E+01 7.1716E+02 -4.8072E+01 -7.9932E+02
51 9.4457E+00 2.3987E+00 5.0917E+00 2.1632E+01 6.8737E+01 4.4370E+01 7.1710E+02 -4.8036E+01 -7.9945E+02
52 8.8069E+00 8.0741E-01 4.4186E+00 2.1778E+01 6.8709E+01 4.4342E+01 7.1715E+02 -4.8057E+01 -7.9953E+02
53 8.5062E+00 9.5180E-01 4.1834E+00 2.1956E+01 6.8593E+01 4.4296E+01 7.1721E+02 -4.8082E+01 -7.9965E+02
54 8.2820E+00 1.3381E+00 4.7167E+00 2.1573E+01 6.8460E+01 4.4268E+01 7.1717E+02 -4.8056E+01 -7.9985E+02
55 8.1644E+00 1.7856E+00 4.2312E+00 2.2067E+01 6.8374E+01 4.4216E+01 7.1728E+02 -4.8104E+01 -7.9990E+02
56 8.1014E+00 2.2191E+00 5.1070E+00 2.1489E+01 6.8270E+01 4.4211E+01 7.1720E+02 -4.8058E+01 -8.0012E+02
57 8.1809E+00 2.8341E+00 4.6070E+00 2.2100E+01 6.8199E+01 4.4155E+01 7.1731E+02 -4.8110E+01 -8.0008E+02
58 7.2990E+00 7.4507E-01 4.2814E+00 2.1714E+01 6.8163E+01 4.4153E+01 7.1728E+02 -4.8093E+01 -8.0020E+02
59 6.9737E+00 1.0855E+00 4.6034E+00 2.1450E+01 6.8010E+01 4.4112E+01 7.1727E+02 -4.8079E+01 -8.0040E+02
60 6.9466E+00 1.9264E+00 4.3564E+00 2.1928E+01 6.7909E+01 4.4052E+01 7.1737E+02 -4.8122E+01 -8.0055E+02
61 6.8591E+00 2.2381E+00 5.0941E+00 2.1294E+01 6.7814E+01 4.4054E+01 7.1729E+02 -4.8074E+01 -8.0062E+02
62 7.0566E+00 3.0388E+00 4.9015E+00 2.1955E+01 6.7757E+01 4.3994E+01 7.1738E+02 -4.8125E+01 -8.0081E+02
63 6.0758E+00 7.6867E-01 4.3115E+00 2.1563E+01 6.7719E+01 4.3997E+01 7.1737E+02 -4.8109E+01 -8.0077E+02
64 5.8420E+00 1.3136E+00 4.7556E+00 2.1276E+01 6.7581E+01 4.3960E+01 7.1734E+02 -4.8089E+01 -8.0098E+02
65 5.8632E+00 2.0281E+00 4.4062E+00 2.1760E+01 6.7504E+01 4.3913E+01 7.1744E+02 -4.8133E+01 -8.0102E+02
66 5.3596E+00 6.8958E-01 4.3586E+00 2.1450E+01 6.7469E+01 4.3907E+01 7.1740E+02 -4.8113E+01 -8.0112E+02
67 5.1042E+00 8.3909E-01 4.5515E+00 2.1266E+01 6.7365E+01 4.3878E+01 7.1739E+02 -4.8102E+01 -8.0124E+02
68 4.9431E+00 1.3000E+00 4.3792E+00 2.1533E+01 6.7277E+01 4.3830E+01 7.1745E+02 -4.8128E+01 -8.0140E+02
69 4.8884E+00 1.7853E+00 4.8786E+00 2.1123E+01 6.7193E+01 4.3823E+01 7.1740E+02 -4.8096E+01 -8.0143E+02
70 4.8851E+00 2.2657E+00 4.7367E+00 2.1543E+01 6.7142E+01 4.3778E+01 7.1747E+02 -4.8131E+01 -8.0165E+02
71 5.0263E+00 2.9358E+00 5.2078E+00 2.1155E+01 6.7073E+01 4.3778E+01 7.1743E+02 -4.8103E+01 -8.0152E+02
72 4.1829E+00 6.8298E-01 4.5080E+00 2.1203E+01 6.7054E+01 4.3760E+01 7.1744E+02 -4.8112E+01 -8.0167E+02
73 3.9418E+00 1.1128E+00 4.4383E+00 2.1348E+01 6.6945E+01 4.3711E+01 7.1749E+02 -4.8128E+01 -8.0186E+02
74 3.9948E+00 1.9909E+00 4.9736E+00 2.1024E+01 6.6856E+01 4.3694E+01 7.1744E+02 -4.8102E+01 -8.0190E+02
75 3.5517E+00 6.7321E-01 4.5457E+00 2.1124E+01 6.6837E+01 4.3679E+01 7.1747E+02 -4.8114E+01 -8.0199E+02
76 3.3460E+00 8.1264E-01 4.4253E+00 2.1234E+01 6.6761E+01 4.3645E+01 7.1750E+02 -4.8126E+01 -8.0209E+02
77 3.1980E+00 1.1499E+00 4.7458E+00 2.1005E+01 6.6680E+01 4.3622E+01 7.1747E+02 -4.8108E+01 -8.0222E+02
78 3.1091E+00 1.4818E+00 4.4961E+00 2.1292E+01 6.6621E+01 4.3592E+01 7.1753E+02 -4.8134E+01 -8.0229E+02
79 3.0505E+00 1.8006E+00 5.0092E+00 2.0953E+01 6.6556E+01 4.3573E+01 7.1747E+02 -4.8105E+01 -8.0241E+02
80 3.0735E+00 2.2478E+00 4.7320E+00 2.1302E+01 6.6504E+01 4.3556E+01 7.1754E+02 -4.8135E+01 -8.0243E+02
81 2.4878E+00 6.2476E-01 4.4988E+00 2.1084E+01 6.6479E+01 4.3540E+01 7.1752E+02 -4.8123E+01 -8.0251E+02
82 2.2503E+00 9.2472E-01 4.6538E+00 2.0939E+01 6.6380E+01 4.3510E+01 7.1750E+02 -4.8113E+01 -8.0262E+02
83 2.2647E+00 1.7857E+00 4.6998E+00 2.1198E+01 6.6307E+01 4.3467E+01 7.1755E+02 -4.8132E+01 -8.0283E+02
84 1.9098E+00 6.2365E-01 4.5123E+00 2.1025E+01 6.6285E+01 4.3466E+01 7.1753E+02 -4.8123E+01 -8.0279E+02
85 1.7232E+00 7.1703E-01 4.6425E+00 2.0906E+01 6.6216E+01 4.3445E+01 7.1752E+02 -4.8114E+01 -8.0289E+02
86 1.5691E+00 9.8571E-01 4.5196E+00 2.1053E+01 6.6149E+01 4.3412E+01 7.1756E+02 -4.8127E+01 -8.0299E+02
87 1.4816E+00 1.3299E+00 4.8671E+00 2.0814E+01 6.6087E+01 4.3398E+01 7.1751E+02 -4.8107E+01 -8.0309E+02
88 1.4126E+00 1.6037E+00 4.6331E+00 2.1082E+01 6.6038E+01 4.3373E+01 7.1757E+02 -4.8129E+01 -8.0315E+02
89 1.4138E+00 2.0084E+00 5.1410E+00 2.0793E+01 6.5985E+01 4.3354E+01 7.1751E+02 -4.8105E+01 -8.0326E+02
90 9.4133E-01 5.9005E-01 4.6192E+00 2.0853E+01 6.5964E+01 4.3348E+01 7.1754E+02 -4.8114E+01 -8.0327E+02
91 7.2570E-01 8.1371E-01 4.5866E+00 2.0927E+01 6.5883E+01 4.3311E+01 7.1756E+02 -4.8121E+01 -8.0342E+02
92 6.9276E-01 1.5494E+00 4.8823E+00 2.0728E+01 6.5810E+01 4.3298E+01 7.1752E+02 -4.8104E+01 -8.0345E+02
93 6.6490E-01 1.8952E+00 4.8764E+00 2.0973E+01 6.5771E+01 4.3265E+01 7.1757E+02 -4.8121E+01 -8.0366E+02
94 7.5826E-01 2.4651E+00 5.1006E+00 2.0750E+01 6.5724E+01 4.3265E+01 7.1754E+02 -4.8106E+01 -8.0351E+02
95 1.6365E-01 5.9765E-01 4.6533E+00 2.0774E+01 6.5709E+01 4.3251E+01 7.1754E+02 -4.8110E+01 -8.0366E+02
96 -2.4818E-02 9.3675E-01 4.6514E+00 2.0849E+01 6.5631E+01 4.3217E+01 7.1756E+02 -4.8115E+01 -8.0382E+02
97 -2.2205E-03 1.6995E+00 4.9349E+00 2.0674E+01 6.5569E+01 4.3203E+01 7.1753E+02 -4.8101E+01 -8.0381E+02
98 -3.1799E-01 5.8720E-01 4.6830E+00 2.0724E+01 6.5554E+01 4.3193E+01 7.1754E+02 -4.8106E+01 -8.0391E+02
99 -4.7873E-01 6.8303E-01 4.6343E+00 2.0779E+01 6.5498E+01 4.3169E+01 7.1756E+02 -4.8110E+01 -8.0401E+02
100 -6.0815E-01 9.4558E-01 4.7911E+00 2.0657E+01 6.5439E+01 4.3151E+01 7.1753E+02 -4.8100E+01 -8.0408E+02
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