26 atoms Coords 1 114.204991 19.764752 347.386332 2 114.600711 19.781221 349.179718 3 114.860159 18.215125 346.640335 4 112.375244 19.829993 347.157413 5 114.987101 21.224400 346.562998 6 115.119562 21.129208 349.567153 7 114.358696 21.625582 350.806358 8 116.183236 21.061165 349.793949 9 114.966732 21.827997 348.743131 10 114.739846 22.601289 351.103414 11 114.498645 20.916275 351.623232 12 113.296591 21.701890 350.574049 13 114.049227 21.786399 345.527717 14 114.229935 23.318618 345.436130 15 114.268506 21.338429 344.557861 16 113.021350 21.559257 345.807288 17 113.538670 23.721980 344.695146 18 115.254338 23.549038 345.139218 19 114.021947 23.768731 346.406613 20 111.691658 19.994358 348.490530 21 110.328066 20.684648 348.278901 22 111.536724 19.014989 348.946249 23 112.311324 20.606821 349.145771 24 109.821027 20.795012 349.238354 25 109.714970 20.078435 347.612026 26 110.483891 21.667049 347.833459 Types 1 5 2 4 3 4 4 4 5 4 6 1 7 1 8 2 9 2 10 2 11 2 12 2 13 1 14 1 15 2 16 2 17 2 18 2 19 2 20 1 21 1 22 2 23 2 24 2 25 2 26 2 Charges 1 0.00000000 2 0.00000000 3 0.00000000 4 0.00000000 5 0.00000000 6 0.00000000 7 0.00000000 8 0.00000000 9 0.00000000 10 0.00000000 11 0.00000000 12 0.00000000 13 0.00000000 14 0.00000000 15 0.00000000 16 0.00000000 17 0.00000000 18 0.00000000 19 0.00000000 20 0.00000000 21 0.00000000 22 0.00000000 23 0.00000000 24 0.00000000 25 0.00000000 26 0.00000000