No title
1.0
9.13745607 0.00000000 0.00000000
0.00000000 9.13745607 0.00000000
0.00000000 0.00000000 9.13745607
C H N O
56 30 4 10
Direct
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0.27024266 0.11853791 0.53917648 # 2 Untitled_1::C2
0.39918213 0.20170929 0.54011596 # 3 Untitled_1::C3
0.23628532 0.13189541 0.80243601 # 4 Untitled_1::C4
0.36496481 0.21871016 0.81374007 # 5 Untitled_1::C5
0.45006274 0.25499487 0.67616725 # 6 Untitled_1::C6
0.06183662 0.98706294 0.62731707 # 7 Untitled_1::C7
0.19219562 0.04969719 0.40661059 # 8 Untitled_1::C8
0.58478279 0.35192576 0.67662540 # 9 Untitled_1::C9
0.72563081 0.29282347 0.64761503 # 10 Untitled_1::C10
0.84389738 0.38485495 0.66571816 # 11 Untitled_1::C11
0.57068739 0.50019005 0.71215257 # 12 Untitled_1::C12
0.69852580 0.59281107 0.71354438 # 13 Untitled_1::C13
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0.97555583 0.60289695 0.71273352 # 15 Untitled_1::C15
0.00696334 0.34832180 0.66235953 # 16 Untitled_1::C16
0.23724539 0.50094012 0.76159616 # 17 Untitled_1::C17
0.32519011 0.38192202 0.76164847 # 18 Untitled_1::C18
0.45468531 0.38234164 0.84723846 # 19 Untitled_1::C19
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0.40822239 0.63548373 0.90723472 # 21 Untitled_1::C21
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0.70770674 0.37044714 0.03416659 # 23 Untitled_1::C23
0.71207964 0.27831140 0.91328060 # 24 Untitled_1::C24
0.78952397 0.14709183 0.91921927 # 25 Untitled_1::C25
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0.86606641 0.20314364 0.16609719 # 27 Untitled_1::C27
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0.12290761 0.33839101 0.01075271 # 31 Untitled_2::C3
0.25264856 0.61302694 0.08053325 # 32 Untitled_2::C4
0.31395166 0.48245587 0.13696074 # 33 Untitled_2::C5
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0.04118306 0.72843792 0.92766266 # 35 Untitled_2::C7
0.92066628 0.49864621 0.88157023 # 36 Untitled_2::C8
0.31676678 0.20096628 0.16543927 # 37 Untitled_2::C9
0.34530420 0.19697933 0.31755230 # 38 Untitled_2::C10
0.38511677 0.06382820 0.37987905 # 39 Untitled_2::C11
0.33741234 0.06984978 0.07896980 # 40 Untitled_2::C12
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0.41337091 0.94232139 0.29789830 # 42 Untitled_2::C14
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0.40920544 0.02661149 0.54436206 # 44 Untitled_2::C16
0.51326336 0.81988095 0.69704157 # 45 Untitled_2::C17
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0.57255736 0.86049599 0.95523796 # 47 Untitled_2::C19
0.54732822 0.67848144 0.70823457 # 48 Untitled_2::C20
0.59851277 0.62181005 0.84644695 # 49 Untitled_2::C21
0.60347413 0.71224293 0.97013061 # 50 Untitled_2::C22
0.75188579 0.72988707 0.20345244 # 51 Untitled_2::C23
0.75262598 0.71475279 0.35602019 # 52 Untitled_2::C24
0.85333439 0.79099883 0.44034147 # 53 Untitled_2::C25
0.85481483 0.81992608 0.13510406 # 54 Untitled_2::C26
0.95864670 0.89394944 0.22036220 # 55 Untitled_2::C27
0.95489868 0.88210820 0.37307708 # 56 Untitled_2::C28
0.45965902 0.22384345 0.44014522 # 57 Untitled_1::H1
0.17168871 0.10460968 0.89922093 # 58 Untitled_1::H3
0.40023033 0.25678726 0.92191356 # 59 Untitled_1::H4
0.73955655 0.17965656 0.61288262 # 60 Untitled_1::H7
0.46260159 0.54448668 0.73979579 # 61 Untitled_1::H8
0.69125809 0.71214402 0.72771359 # 62 Untitled_1::H9
0.52379819 0.28570655 0.85190252 # 63 Untitled_1::H10
0.29481740 0.28748171 0.69462906 # 64 Untitled_1::H11
0.22076427 0.73165749 0.80327267 # 65 Untitled_1::H12
0.44100683 0.73680430 0.95900314 # 66 Untitled_1::H13
0.78962420 0.07392208 0.82519662 # 67 Untitled_1::H14
0.65799573 0.30918840 0.81443760 # 68 Untitled_1::H15
0.78273238 0.40512520 0.25641128 # 69 Untitled_1::H16
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0.40912819 0.48760646 0.20827995 # 73 Untitled_2::H4
0.33617281 0.29600894 0.38370997 # 74 Untitled_2::H7
0.31293170 0.07014056 0.96270067 # 75 Untitled_2::H8
0.41419543 0.84155502 0.08419011 # 76 Untitled_2::H9
0.58489839 0.93447067 0.04799792 # 77 Untitled_2::H10
0.49923715 0.03004883 0.80736204 # 78 Untitled_2::H11
0.53596740 0.60794352 0.61164198 # 79 Untitled_2::H12
0.63616455 0.50814755 0.85534663 # 80 Untitled_2::H13
0.85306719 0.77882806 0.55908952 # 81 Untitled_2::H14
0.67440250 0.64208932 0.40870689 # 82 Untitled_2::H15
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0.92758595 0.00733774 0.04942387 # 85 H_head
0.82290941 0.71834251 0.80394873 # 86 H_tail
0.06368009 0.96609082 0.46384729 # 87 Untitled_1::N1
0.08436094 0.48574885 0.71208158 # 88 Untitled_1::N2
0.90864117 0.66164249 0.85839526 # 89 Untitled_2::N1
0.46626996 0.88303208 0.55493527 # 90 Untitled_2::N2
0.23632493 0.06220757 0.24971967 # 91 Untitled_1::O1
0.95067394 0.92768717 0.73244345 # 92 Untitled_1::O2
0.07355019 0.20305810 0.63137772 # 93 Untitled_1::O3
0.00393250 0.76159193 0.74021469 # 94 Untitled_1::O4
0.62260896 0.51184670 0.02985360 # 95 Untitled_1::O5
0.81469126 0.38598687 0.83192380 # 96 Untitled_2::O1
0.07993840 0.88782028 0.93017921 # 97 Untitled_2::O2
0.37797386 0.11846719 0.67419281 # 98 Untitled_2::O3
0.51497678 0.66722247 0.35774787 # 99 Untitled_2::O4
0.64092796 0.64557413 0.11752095 # 100 Untitled_2::O5