No title
1.0
11.08689800 0.00000000 0.00000000
5.54344900 9.60153532 0.00000000
0.00000000 0.00000000 29.05241400
Pt S H O
64 1 2 3
Direct
0.67101200 0.66981400 0.00683600 # 1 Pt1
0.42093200 0.91972000 0.00695600 # 2 Pt2
0.42106500 0.66931200 0.00666600 # 3 Pt3
0.17072300 0.92006800 0.00683800 # 4 Pt4
0.92089600 0.41955000 0.00693500 # 5 Pt5
0.92096700 0.16955100 0.00670000 # 6 Pt6
0.67053500 0.41969900 0.00718900 # 7 Pt7
0.17060900 0.16874400 0.00646500 # 8 Pt8
0.92056300 0.91965300 0.00686500 # 9 Pt9
0.92079400 0.66958800 0.00668900 # 10 Pt10
0.67070700 0.91990300 0.00686900 # 11 Pt11
0.17073000 0.66947200 0.00690200 # 12 Pt12
0.67062500 0.16954500 0.00732100 # 13 Pt13
0.42094700 0.41950800 0.00757800 # 14 Pt14
0.42100800 0.16962600 0.00694000 # 15 Pt15
0.17097600 0.41935900 0.00711100 # 16 Pt16
0.75354300 0.75397900 0.08578700 # 17 Pt17
0.75351900 0.50372700 0.08569200 # 18 Pt18
0.50415700 0.75292700 0.08570400 # 19 Pt19
0.00375700 0.50377900 0.08576000 # 20 Pt20
0.50427300 0.00306700 0.08598100 # 21 Pt21
0.25379100 0.25288600 0.08564300 # 22 Pt22
0.25418400 0.00256400 0.08604000 # 23 Pt23
0.00432500 0.25295100 0.08564300 # 24 Pt24
0.50332000 0.50373800 0.08632600 # 25 Pt25
0.25373500 0.75260200 0.08547600 # 26 Pt26
0.25411100 0.50255800 0.08653900 # 27 Pt27
0.00375700 0.75341000 0.08569300 # 28 Pt28
0.75384700 0.25281300 0.08559200 # 29 Pt29
0.75339600 0.00367600 0.08617800 # 30 Pt30
0.50286300 0.25343400 0.08682500 # 31 Pt31
0.00380700 0.00293900 0.08580600 # 32 Pt32
0.33809700 0.33940700 0.16534400 # 33 Pt33
0.08627300 0.58732600 0.16322900 # 34 Pt34
0.08712000 0.33709100 0.16324100 # 35 Pt35
0.83697200 0.58661600 0.16311500 # 36 Pt36
0.58605100 0.08682400 0.16381000 # 37 Pt37
0.58602700 0.83766200 0.16355800 # 38 Pt38
0.33563900 0.08869900 0.16319300 # 39 Pt39
0.83632400 0.83713200 0.16354600 # 40 Pt40
0.58640700 0.58762000 0.16329800 # 41 Pt41
0.58639100 0.33700400 0.16378600 # 42 Pt42
0.33738300 0.58701900 0.16428100 # 43 Pt43
0.83800500 0.33609200 0.16269200 # 44 Pt44
0.33628700 0.83651100 0.16359600 # 45 Pt45
0.08600100 0.08803900 0.16336200 # 46 Pt46
0.08621500 0.83742200 0.16335200 # 47 Pt47
0.83663800 0.08708100 0.16355100 # 48 Pt48
0.42974000 0.42987400 0.24845100 # 49 Pt49
0.41840300 0.17510500 0.24212200 # 50 Pt50
0.17137600 0.42158500 0.24155500 # 51 Pt51
0.66884100 0.17075900 0.24212400 # 52 Pt52
0.16694600 0.67245900 0.24182300 # 53 Pt53
0.91760500 0.92160700 0.24271500 # 54 Pt54
0.91884100 0.67096600 0.24213800 # 55 Pt55
0.66830300 0.92244800 0.24280600 # 56 Pt56
0.16861000 0.17213700 0.24237100 # 57 Pt57
0.91940300 0.42104900 0.24240000 # 58 Pt58
0.91924100 0.17031200 0.24278500 # 59 Pt59
0.67701600 0.41819000 0.24034500 # 60 Pt60
0.41827800 0.92513400 0.24223100 # 61 Pt61
0.41962400 0.68057700 0.24415000 # 62 Pt62
0.16614900 0.92358500 0.24224400 # 63 Pt63
0.67151800 0.67236700 0.24174600 # 64 Pt64
0.45103000 0.47824700 0.32415500 # 65 S1
0.41035100 0.41177800 0.42092500 # 66 H1
0.55592400 0.30541100 0.40922300 # 67 H2
0.30959900 0.51741800 0.34293800 # 68 O1
0.46797500 0.61168200 0.31401600 # 69 O2
0.48016800 0.32827200 0.43185600 # 70 O3