new.book

LastWave

</molecule>
<molecule> 1 1
<atom> gauss 2048 20480 487.1 -0.0458732 -8429.37 -1631.3 -3.62973e-09 1.36225e-07 1.47431e+08 -0.0954344 0.995436 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 16896 462.34 -0.00315402 -201.572 8769.21 8.18338e-08 -3.02406e-08 1.53879e+08 0.698934 0.715186 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 17920 1904.9 0.0442216 -6030.23 -6142.5 3.94845e-08 3.81497e-09 1.48188e+08 -0.38694 0.922105 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 512 4480 2280.08 -0.049332 6468.76 -5017.37 -1.26441e-07 4.55419e-08 1.34038e+08 -0.946089 0.323906 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 17920 8321.12 0.0819236 -3860.83 7355.41 1.84243e-07 2.5753e-08 1.38016e+08 0.517319 0.855793 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 512 25088 8079.52 0.747452 7782.55 -2848.9 -1.43333e-07 -5.71445e-08 1.37369e+08 -0.984647 0.174559 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 1024 5888 9360.12 0.05191 -7323.86 3385.7 2.97815e-07 2.10818e-08 1.30204e+08 0.214825 0.976653 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 1024 14592 2230.3 0.133424 2486.87 -7625.32 8.66563e-08 1.27495e-08 1.2866e+08 -0.809342 0.587338 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 17920 2068.5 0.0205914 4600.31 6594.11 -6.45407e-08 -2.75438e-08 1.2929e+08 0.886613 0.462513 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 16384 5092.16 0.0229518 2599.51 7549.51 -1.30809e-07 -2.23868e-08 1.27505e+08 0.814116 0.580702 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 13312 721.52 -0.0207206 6429.14 4818.11 -6.4554e-09 1.03568e-08 1.29096e+08 0.948742 0.316051 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 10752 2777.24 -0.0092712 -7636.07 1624.34 1.67365e-07 1.2002e-08 1.21896e+08 0.104606 0.994514 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 512 18944 909.348 0.471688 7340.66 2386.91 -4.32619e-08 -3.66726e-08 1.19165e+08 0.987671 0.156542 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 1024 19200 8312.64 -0.0382122 -741.001 -7618.91 2.10583e-08 1.53906e-08 1.17194e+08 -0.672013 0.74054 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 1024 27136 16575 -0.0152599 5389.41 -5340.53 3.10239e-07 -3.69861e-10 1.15134e+08 -0.924748 0.380581 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 256 19392 926.556 1.34643 -5109.98 5873.84 -1.98887e-06 -4.25145e-05 1.21233e+08 0.414519 0.910041 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 2048 738.712 -0.0348248 -6003.05 4704.45 -2.72009e-08 1.5586e-08 1.16337e+08 0.32627 0.945276 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 13312 1749.45 -0.00301078 -5491.05 5504.58 -1.28641e-08 9.53489e-09 1.20904e+08 0.383252 0.923644 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 1024 13056 2246.76 0.111772 -6302.97 4054.05 -7.96626e-09 7.71692e-09 1.12326e+08 0.28191 0.959441 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 12288 718.832 -0.0124128 -6177.98 4802.44 2.68196e-08 -4.12995e-08 1.22462e+08 0.324411 0.945916 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 19968 1900.02 -0.0150459 4841.18 -5893.1 -2.19236e-08 -3.53243e-08 1.16331e+08 -0.904095 0.427331 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 27136 8103.92 0.00368624 -4263.89 5949.34 -1.9378e-08 4.76043e-09 1.07151e+08 0.456871 0.889533 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 1536 3516.96 -0.0089198 1448.3 -7093.85 -9.15154e-08 1.87902e-08 1.0484e+08 -0.774606 0.632444 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 1024 19968 989.672 0.156262 3047.9 6914.75 -9.75309e-08 -5.87487e-08 1.14207e+08 0.837657 0.546197 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 15360 1764.96 0.000609332 7233.43 73.2444 1.82475e-08 -3.02672e-09 1.04656e+08 0.999987 0.00506262 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 1024 16128 2206.08 -0.44148 -7699.15 3070.89 -4.30924e-08 5.16025e-08 1.37414e+08 0.188622 0.98205 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 15872 1495.41 0.0206004 1077.88 7237.84 1.61837e-08 -4.47563e-08 1.07096e+08 0.757394 0.652958 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 1024 512 442.66 0.359974 -7523.63 -1508.05 2.75058e-07 -1.0915e-07 1.17758e+08 -0.0987487 0.995112 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 15360 8276.48 0.028001 -6948.9 -2363.53 -8.53501e-08 -7.37549e-09 1.07747e+08 -0.163195 0.986594 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 24064 3862.46 0.0936748 -6455.27 3218.34 -4.66373e-09 -3.69315e-10 1.04056e+08 0.229191 0.973382 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 1024 22784 8323.04 0.0215404 -6434.92 2675.38 -9.03708e-08 -1.01242e-08 9.71316e+07 0.195737 0.980656 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 7680 5257.88 0.00110468 5506.18 4576.62 4.29238e-08 4.78944e-09 1.02527e+08 0.940489 0.339825 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 512 512 2925.56 0.284022 -4917.32 -4880.46 6.94864e-08 -9.3661e-08 9.59979e+07 -0.380941 0.924599 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 19456 5691.36 0.0286286 -5560.51 -4176.79 -1.91694e-07 -3.20724e-08 9.67297e+07 -0.316578 0.948566 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 5120 2458.18 -0.100471 -3643.27 -6680.4 5.71638e-08 -2.46642e-08 1.15802e+08 -0.51049 0.859884 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 1024 4608 9367.88 -0.0206458 -3396.45 -6217.54 1.52773e-09 -7.70912e-09 1.00387e+08 -0.510198 0.860057 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 15872 2780.6 0.00346706 -5712.13 3799.49 -1.02154e-09 -9.17636e-09 9.41291e+07 0.28928 0.957244 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 26624 4053.28 0.058094 1247.46 7114.17 -3.64804e-08 -2.04939e-08 1.04335e+08 0.765742 0.643148 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 1024 25728 8039.16 -0.666356 -3390.75 -7115.97 9.23486e-09 1.13575e-08 1.24268e+08 -0.533777 0.845625 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 18944 6078.76 0.0319732 5643.19 3722.03 1.0191e-09 -8.74274e-10 9.13983e+07 0.957804 0.287421 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 512 384 1567.61 -0.695912 -5396.99 4354.78 -5.01318e-08 1.60443e-07 9.61833e+07 0.33298 0.942934 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 20992 1172.1 -0.0173907 6848.53 -1286.87 1.98962e-08 3.94678e-08 9.71169e+07 -0.995691 0.0927321 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 8192 461.62 -0.000303884 -2812.13 6472.46 1.04969e-07 -2.25316e-09 9.96016e+07 0.548413 0.836207 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 27136 5911.64 -0.00508164 1936.2 6396.75 3.78955e-08 4.40085e-09 8.93345e+07 0.80303 0.595939 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 15872 461.068 -0.000180947 6788.21 1402.92 1.14534e-07 -7.73019e-09 9.60958e+07 0.994813 0.101724 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 1024 26368 7459.64 0.258566 1246.58 6959.19 -6.21579e-08 -3.23946e-09 9.99685e+07 0.766917 0.641747 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 17920 2779.6 0.0101688 4635.66 4653.68 -5.20172e-08 -1.85788e-08 8.62922e+07 0.923508 0.38358 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 23552 938.944 0.00408348 -5307.88 4019.63 8.48498e-08 2.52635e-08 8.86619e+07 0.318437 0.947944 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 19968 2779.26 0.0239194 4981.02 -4269.35 -3.53969e-09 -1.97273e-08 8.60757e+07 -0.937887 0.346942 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 1024 13824 8300.4 0.00604308 6485.11 1009.11 -4.42916e-08 -2.35001e-09 8.61499e+07 0.997023 0.077106 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 16896 1747.67 0.00163194 3489.35 5739.55 -9.18244e-08 2.37424e-10 9.02359e+07 0.87163 0.490164 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 8704 9359.88 0.0101068 -6381.46 -2694.92 -1.41674e-07 1.07622e-08 9.59712e+07 -0.198466 0.980108 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 1024 10752 2045.48 -0.18078 6183.53 -2093.01 1.43469e-09 -3.27265e-08 8.52336e+07 -0.986715 0.162464 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 20992 8308.56 -0.0414424 1165.52 6586.15 4.42434e-08 -5.93387e-09 8.94717e+07 0.766243 0.642551 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 1024 15360 2147.16 0.113637 6441.98 -1129.26 1.77543e-08 9.59808e-09 8.55488e+07 -0.996238 0.086662 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 6656 5256.56 -0.0067578 6344.11 -1295.41 1.40625e-07 -8.22424e-09 8.38517e+07 -0.994933 0.100537 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 9728 458.396 -0.00555944 5208.06 3957.89 1.3354e-07 -7.66674e-08 8.55776e+07 0.947677 0.319232 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 19968 5915.44 -0.0371042 -777.285 -6302.6 -5.44319e-08 4.98584e-09 8.06538e+07 -0.662419 0.749134 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 20480 2309.02 -0.0393668 -5326.29 3338.76 -4.05066e-08 2.09421e-08 7.90335e+07 0.276317 0.961066 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 14336 11067.4 0.0247622 -5706.79 -2327.22 -3.00341e-07 -3.76486e-08 7.59668e+07 -0.192397 0.981317 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 20992 906.572 -0.028211 -5488.54 3112.77 -8.82656e-08 -2.77443e-08 7.96268e+07 0.255105 0.966913 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 1024 1152 8443.92 -0.117403 2019.53 -6083.94 -9.72373e-08 3.36397e-08 8.21856e+07 -0.810874 0.58522 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 25088 571.452 0.00733732 3787.47 4823.96 -8.14469e-08 -8.3506e-08 7.5231e+07 0.899316 0.437299 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 256 128 8422.96 0.39313 -2725.89 -5453.42 -7.38066e-08 -5.70759e-08 7.43406e+07 -0.525779 0.850621 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 27136 579.452 0.026879 2646.53 5555.89 -4.94996e-08 1.7617e-08 7.57442e+07 0.845591 0.533831 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 14848 8377.52 0.0080078 958.695 -6052.71 2.78868e-08 -6.1679e-09 7.51087e+07 -0.760406 0.649448 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 25600 5905.36 0.00486828 -1981.64 6004.74 -1.34796e-08 1.35988e-09 7.99676e+07 0.585923 0.810367 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 10752 5262.28 -0.0147075 1936.61 -6074.52 -9.06797e-08 -8.90506e-09 8.13005e+07 -0.807385 0.590025 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 13824 3481.76 -0.0438328 961.516 6192.18 3.35263e-08 -2.51638e-08 7.85353e+07 0.759422 0.650599 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 19968 2986.42 -0.0312166 5180.37 3201.62 1.44452e-08 -3.61944e-09 7.41732e+07 0.961939 0.273264 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 512 23552 3679.34 0.308918 2614.95 5463.71 1.15879e-07 -5.4217e-08 7.33802e+07 0.846081 0.533055 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 9216 5256.92 -0.00765352 -3337.45 5109.56 5.34684e-08 -1.11708e-08 7.44923e+07 0.475995 0.879448 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 20480 652.452 -0.00742232 -4601.55 4046.64 7.23194e-08 -6.03014e-08 7.50992e+07 0.352893 0.935664 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 24576 2083.44 0.0179023 -5904.7 570.092 -2.7646e-08 8.21295e-09 7.03809e+07 0.0481044 0.998842 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 1024 26240 3743.92 -0.333734 6562.15 -281.006 1.83828e-08 -1.07193e-08 8.62814e+07 -0.999771 0.0213988 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 17920 1490.67 -0.0289222 4947.15 3640.72 8.66624e-09 8.18302e-09 7.54582e+07 0.950107 0.311923 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 16896 1411.71 0.0133822 3124.68 4925.53 9.98065e-09 3.33257e-08 6.8049e+07 0.876266 0.481828 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 13824 5251.56 -0.0649256 6034.36 264.269 -8.76385e-09 3.21802e-08 7.29666e+07 0.999761 0.0218816 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 14848 1491.66 0.00642408 4812.12 -3671.42 1.65771e-08 -1.8801e-08 7.32718e+07 -0.947372 0.320134 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 1024 14848 1997.03 -0.087634 -3824.66 -4320.68 -4.01657e-08 -4.65369e-08 6.65926e+07 -0.410598 0.911817 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 5120 459.316 0.0222132 4738.15 -3564.81 -7.24074e-08 1.4863e-07 7.03158e+07 -0.948443 0.316948 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 16896 2999.2 0.00041116 -5320.12 2215.99 4.99059e-09 -1.84388e-09 6.64286e+07 0.196058 0.980592 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 1024 1473.51 0.0915008 5844.54 1247.04 -2.23498e-08 -1.343e-08 7.14276e+07 0.994481 0.104915 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 12800 8322.36 -0.0320284 4124.65 -4021.22 1.03035e-07 -9.41432e-09 6.63659e+07 -0.926292 0.376807 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 2560 2959.18 0.0111714 1130.15 -5858.38 -1.26487e-07 9.63768e-09 7.11957e+07 -0.771174 0.636625 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 18944 2774.74 0.0312616 -5808.07 -298.756 -8.6025e-09 -8.40462e-09 6.7646e+07 -0.0256955 0.99967 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 64 256 1024 0 6436.74 -1287.33 0.45404 0 6.30592e+07 -0.970207 0.242276 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 5632 5258.92 -0.00429984 2547.57 -5199.13 -1.7759e-08 -3.02698e-09 6.70421e+07 -0.84853 0.529147 </atom>
</molecule>
<molecule> 1 1
<atom> gauss 2048 25088 3974.12 0.0461184 -2655.35 5099.94 7.95696e-09 -1.10101e-08 6.61207e+07 0.518743 0.85493 </atom>