Opt_Optical_PMDAPDA2
1.0
9.88958631 0.00000000 0.00000000
0.00000000 9.88958631 0.00000000
0.00000000 0.00000000 9.88958631
C H N O
32 14 4 8
Direct
0.85735442 0.56554211 0.84024712 # 1 Untitled_1::C1
0.86813101 0.53956742 0.97954234 # 2 Untitled_1::C2
0.80874188 0.62638598 0.07704612 # 3 Untitled_1::C3
0.78950271 0.67787712 0.78932840 # 4 Untitled_1::C4
0.73084065 0.76382606 0.88409946 # 5 Untitled_1::C5
0.73986850 0.74040606 0.02398456 # 6 Untitled_1::C6
0.93061350 0.45466631 0.75970361 # 7 Untitled_1::C7
0.95228800 0.40797748 0.00070714 # 8 Untitled_1::C8
0.66444561 0.85549274 0.10020494 # 9 Untitled_1::C9
0.64941423 0.89367122 0.85723167 # 10 Untitled_1::C10
0.52084074 0.07648777 0.01453295 # 11 Untitled_1::C11
0.48082066 0.11440030 0.14485681 # 12 Untitled_1::C12
0.39584420 0.22668796 0.16296353 # 13 Untitled_1::C13
0.47930212 0.15345680 0.90262524 # 14 Untitled_1::C14
0.39483681 0.26560116 0.92090560 # 15 Untitled_1::C15
0.35237740 0.30167209 0.05083535 # 16 Untitled_1::C16
0.54943826 0.48600415 0.55813549 # 17 Untitled_2::C1
0.60017132 0.48669349 0.69083353 # 18 Untitled_2::C2
0.56947216 0.58990167 0.78257611 # 19 Untitled_2::C3
0.46841616 0.59163757 0.50779718 # 20 Untitled_2::C4
0.43523512 0.69396943 0.60117391 # 21 Untitled_2::C5
0.48226472 0.69120547 0.73520509 # 22 Untitled_2::C6
0.59714487 0.35614102 0.48512798 # 23 Untitled_2::C7
0.68776525 0.35964164 0.71402723 # 24 Untitled_2::C8
0.42327886 0.81236321 0.81399032 # 25 Untitled_2::C9
0.34427454 0.82035753 0.58043983 # 26 Untitled_2::C10
0.24751317 0.01561963 0.75291579 # 27 Untitled_2::C11
0.18297651 0.09095922 0.65131093 # 28 Untitled_2::C12
0.10183388 0.20264997 0.68655387 # 29 Untitled_2::C13
0.23338660 0.05439588 0.88897550 # 30 Untitled_2::C14
0.14975774 0.16409794 0.92420598 # 31 Untitled_2::C15
0.08472842 0.23861634 0.82332674 # 32 Untitled_2::C16
0.81547292 0.60677455 0.18551125 # 33 Untitled_1::H1
0.78318006 0.69768395 0.68126523 # 34 Untitled_1::H3
0.36351202 0.25553294 0.26425292 # 35 Untitled_1::H4
0.51558024 0.05696781 0.23211527 # 36 Untitled_1::H5
0.51304878 0.12599802 0.80132136 # 37 Untitled_1::H6
0.36215120 0.32485256 0.83376132 # 38 Untitled_1::H7
0.61114592 0.59163568 0.88456479 # 39 Untitled_2::H1
0.43385904 0.59418941 0.40314209 # 40 Untitled_2::H3
0.05210782 0.26166727 0.60764629 # 41 Untitled_2::H4
0.19590760 0.06346213 0.54524352 # 42 Untitled_2::H5
0.28766013 0.99948242 0.96741036 # 43 Untitled_2::H6
0.13557559 0.19071641 0.03011976 # 44 Untitled_2::H7
0.28508828 0.38792729 0.06484887 # 45 H_head
0.72969517 0.18111881 0.56804322 # 46 H_tail
0.99500747 0.35970414 0.85974640 # 47 Untitled_1::N1
0.60649926 0.94975841 0.99248918 # 48 Untitled_1::N2
0.68298226 0.27737488 0.58492866 # 49 Untitled_2::N1
0.33276815 0.89023829 0.71748784 # 50 Untitled_2::N2
0.65050581 0.87067465 0.25055229 # 51 Untitled_1::O1
0.61738201 0.95288506 0.72134558 # 52 Untitled_1::O2
0.98619141 0.34223272 0.13341283 # 53 Untitled_1::O3
0.93924768 0.44469039 0.60884913 # 54 Untitled_1::O4
0.44903810 0.84572569 0.95958787 # 55 Untitled_2::O1
0.27695580 0.86278954 0.45129810 # 56 Untitled_2::O2
0.76234879 0.32359613 0.84112339 # 57 Untitled_2::O3
0.56405928 0.31508173 0.34288893 # 58 Untitled_2::O4