IFUDES_charged 9.105000 0.000000 0.000000 -4.552500 7.885161 0.000000 0.000000 0.000000 23.656000 1 -2.521402 -2.521402 -2.521402 40[8-(6),8-(6),8-(6),8-(6),8-(6),8-(6),8-(6),8-(6)] 2 2.521402 2.521402 2.521402 40[8-(6),8-(6),8-(6),8-(6),8-(6),8-(6),8-(6),8-(6)] 3 0.0 0.0 0.0 40[8-(6),8-(6),8-(6),8-(6),8-(6),8-(6),8-(6),8-(6)] 4 0.0 0.0 0.0 48[8-(6),8-(6),8-(6),8-(6)] 5 -2.002781 -2.002781 -2.002781 48[8-(6),8-(6),8-(6),8-(6)] 6 2.002781 2.002781 2.002781 48[8-(6),8-(6),8-(6),8-(6)] 7 -0.52809 -0.52809 -0.52809 6[6-(8,8),8-(0),8-(40)] 8 -1.807343 -1.807343 -1.807343 6[6-(8,8),8-(40),8-(48)] 9 7.619064 7.619064 7.619064 6[6-(8,8),8-(40),8-(48)] 10 -0.204407 -0.204407 -0.204407 6[6-(8,8),8-(0),8-(40)] 11 0.364655 0.364655 0.364655 6[6-(8,8),8-(0),8-(40)] 12 0.279068 0.279068 0.279068 6[6-(8,8),8-(40),8-(48)] 13 1.767281 1.767281 1.767281 6[6-(8,8),8-(40),8-(48)] 14 0.414278 0.414278 0.414278 6[6-(8,8),8-(0),8-(40)] 15 0.163435 0.163435 0.163435 6[6-(8,8),8-(0),8-(40)] 16 1.528274 1.528274 1.528274 6[6-(8,8),8-(40),8-(48)] 17 4.271155 4.271155 4.271155 6[6-(8,8),8-(40),8-(48)] 18 4.34263 4.34263 4.34263 6[6-(8,8),8-(0),8-(40)] 19 0.52809 0.52809 0.52809 6[6-(8,8),8-(0),8-(40)] 20 1.807342 1.807342 1.807342 6[6-(8,8),8-(40),8-(48)] 21 1.485936 1.485936 1.485936 6[6-(8,8),8-(40),8-(48)] 22 0.204407 0.204407 0.204407 6[6-(8,8),8-(0),8-(40)] 23 -0.364655 -0.364655 -0.364655 6[6-(8,8),8-(0),8-(40)] 24 -0.279068 -0.279068 -0.279068 6[6-(8,8),8-(40),8-(48)] 25 7.33772 7.33772 7.33772 6[6-(8,8),8-(40),8-(48)] 26 8.690723 8.690723 8.690723 6[6-(8,8),8-(0),8-(40)] 27 -0.163435 -0.163435 -0.163435 6[6-(8,8),8-(0),8-(40)] 28 -1.528274 -1.528274 -1.528274 6[6-(8,8),8-(40),8-(48)] 29 4.833845 4.833845 4.833845 6[6-(8,8),8-(40),8-(48)] 30 -4.34263 -4.34263 -4.34263 6[6-(8,8),8-(0),8-(40)] 31 4.895303 4.895303 4.895303 6[1-(0),1-(0),6-(1,1,7),7-(1,1,1)] 32 4.209697 4.209697 4.209697 6[1-(0),1-(0),6-(1,1,7),7-(1,1,1)] 33 3.385239 3.385239 3.385239 6[1-(0),1-(0),6-(1,1,7),7-(1,1,1)] 34 3.728042 3.728042 3.728042 6[1-(0),1-(0),6-(1,1,7),7-(1,1,1)] 35 5.376958 5.376958 5.376958 6[1-(0),1-(0),6-(1,1,7),7-(1,1,1)] 36 5.719761 5.719761 5.719761 6[1-(0),1-(0),6-(1,1,7),7-(1,1,1)] 37 -0.632797 -0.632797 -0.632797 8[6-(6,8),40-(8,8,8,8,8,8,8)] 38 0.462079 0.462079 0.462079 8[6-(6,8)] 39 1.631161 1.631161 1.631161 8[6-(6,8),48-(8,8,8)] 40 -2.750165 -2.750165 -2.750165 8[6-(6,8),40-(8,8,8,8,8,8,8)] 41 -1.869257 -1.869257 -1.869257 8[6-(6,8),48-(8,8,8)] 42 4.310762 4.310762 4.310762 8[6-(6,8),40-(8,8,8,8,8,8,8)] 43 8.388437 8.388437 8.388437 8[6-(6,8)] 44 6.752268 6.752268 6.752268 8[6-(6,8),40-(8,8,8,8,8,8,8)] 45 1.306112 1.306112 1.306112 8[6-(6,8),40-(8,8,8,8,8,8,8)] 46 -0.465721 -0.465721 -0.465721 8[6-(6,8)] 47 5.651018 5.651018 5.651018 8[6-(6,8),48-(8,8,8)] 48 1.095332 1.095332 1.095332 8[6-(6,8),40-(8,8,8,8,8,8,8)] 49 -0.524448 -0.524448 -0.524448 8[6-(6,8),48-(8,8,8)] 50 8.583284 8.583284 8.583284 8[6-(6,8),40-(8,8,8,8,8,8,8)] 51 1.031596 1.031596 1.031596 8[6-(6,8)] 52 1.805977 1.805977 1.805977 8[6-(6,8),40-(8,8,8,8,8,8,8)] 53 -0.673315 -0.673315 -0.673315 8[6-(6,8),40-(8,8,8,8,8,8,8)] 54 0.003642 0.003642 0.003642 8[6-(6,8)] 55 6.375321 6.375321 6.375321 8[6-(6,8),48-(8,8,8)] 56 1.654834 1.654834 1.654834 8[6-(6,8),40-(8,8,8,8,8,8,8)] 57 2.393704 2.393704 2.393704 8[6-(6,8),48-(8,8,8)] 58 0.763454 0.763454 0.763454 8[6-(6,8),40-(8,8,8,8,8,8,8)] 59 4.237467 4.237467 4.237467 8[6-(6,8)] 60 5.099255 5.099255 5.099255 8[6-(6,8),40-(8,8,8,8,8,8,8)] 61 0.632797 0.632797 0.632797 8[6-(6,8),40-(8,8,8,8,8,8,8)] 62 -0.462079 -0.462079 -0.462079 8[6-(6,8)] 63 7.473839 7.473839 7.473839 8[6-(6,8),48-(8,8,8)] 64 2.750165 2.750165 2.750165 8[6-(6,8),40-(8,8,8,8,8,8,8)] 65 1.869257 1.869257 1.869257 8[6-(6,8),48-(8,8,8)] 66 4.794238 4.794238 4.794238 8[6-(6,8),40-(8,8,8,8,8,8,8)] 67 0.716564 0.716564 0.716564 8[6-(6,8)] 68 2.352732 2.352732 2.352732 8[6-(6,8),40-(8,8,8,8,8,8,8)] 69 -1.306112 -1.306112 -1.306112 8[6-(6,8),40-(8,8,8,8,8,8,8)] 70 0.465721 0.465721 0.465721 8[6-(6,8)] 71 3.453982 3.453982 3.453982 8[6-(6,8),48-(8,8,8)] 72 -1.095331 -1.095331 -1.095331 8[6-(6,8),40-(8,8,8,8,8,8,8)] 73 0.524448 0.524448 0.524448 8[6-(6,8),48-(8,8,8)] 74 0.521717 0.521717 0.521717 8[6-(6,8),40-(8,8,8,8,8,8,8)] 75 8.073403 8.073403 8.073403 8[6-(6,8)] 76 7.299023 7.299023 7.299023 8[6-(6,8),40-(8,8,8,8,8,8,8)] 77 0.673315 0.673315 0.673315 8[6-(6,8),40-(8,8,8,8,8,8,8)] 78 -0.003642 -0.003642 -0.003642 8[6-(6,8)] 79 2.729679 2.729679 2.729679 8[6-(6,8),48-(8,8,8)] 80 -1.654834 -1.654834 -1.654834 8[6-(6,8),40-(8,8,8,8,8,8,8)] 81 -2.393705 -2.393705 -2.393705 8[6-(6,8),48-(8,8,8)] 82 8.341546 8.341546 8.341546 8[6-(6,8),40-(8,8,8,8,8,8,8)] 83 4.867533 4.867533 4.867533 8[6-(6,8)] 84 4.005745 4.005745 4.005745 8[6-(6,8),40-(8,8,8,8,8,8,8)] 85 4.701367 4.701367 4.701367 1[6-(1,6,7)] 86 5.85497 5.85497 5.85497 1[6-(1,6,7)] 87 3.467184 3.467184 3.467184 1[7-(1,1,6)] 88 4.76146 4.76146 4.76146 1[7-(1,1,6)] 89 4.923984 4.923984 4.923984 1[7-(1,1,6)] 90 4.403633 4.403633 4.403633 1[6-(1,6,7)] 91 3.25003 3.25003 3.25003 1[6-(1,6,7)] 92 5.637816 5.637816 5.637816 1[7-(1,1,6)] 93 4.34354 4.34354 4.34354 1[7-(1,1,6)] 94 4.181016 4.181016 4.181016 1[7-(1,1,6)] 95 2.755628 2.755628 2.755628 1[6-(1,6,7)] 96 2.946378 2.946378 2.946378 1[6-(1,6,7)] 97 5.061469 5.061469 5.061469 1[7-(1,1,6)] 98 5.192126 5.192126 5.192126 1[7-(1,1,6)] 99 4.253856 4.253856 4.253856 1[7-(1,1,6)] 100 2.904495 2.904495 2.904495 1[6-(1,6,7)] 101 4.248848 4.248848 4.248848 1[6-(1,6,7)] 102 3.976154 3.976154 3.976154 1[7-(1,1,6)] 103 5.401086 5.401086 5.401086 1[7-(1,1,6)] 104 4.62534 4.62534 4.62534 1[7-(1,1,6)] 105 6.200505 6.200505 6.200505 1[6-(1,6,7)] 106 4.856152 4.856152 4.856152 1[6-(1,6,7)] 107 5.128846 5.128846 5.128846 1[7-(1,1,6)] 108 3.703914 3.703914 3.703914 1[7-(1,1,6)] 109 4.47966 4.47966 4.47966 1[7-(1,1,6)] 110 6.349372 6.349372 6.349372 1[6-(1,6,7)] 111 6.158622 6.158622 6.158622 1[6-(1,6,7)] 112 4.04353 4.04353 4.04353 1[7-(1,1,6)] 113 3.912874 3.912874 3.912874 1[7-(1,1,6)] 114 4.851144 4.851144 4.851144 1[7-(1,1,6)] 115 4.479205 4.479205 4.479205 7[1-(0),1-(0),1-(0),6-(1,1,6)] 116 4.625795 4.625795 4.625795 7[1-(0),1-(0),1-(0),6-(1,1,6)] 117 4.567068 4.567068 4.567068 7[1-(0),1-(0),1-(0),6-(1,1,6)] 118 4.493773 4.493773 4.493773 7[1-(0),1-(0),1-(0),6-(1,1,6)] 119 4.611227 4.611227 4.611227 7[1-(0),1-(0),1-(0),6-(1,1,6)] 120 4.537932 4.537932 4.537932 7[1-(0),1-(0),1-(0),6-(1,1,6)]