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- ; Stick colour
- 2(0.700000, 0.700000, 0.700000)
- ; Model
- BS
- ; Definitions
- C = 33.395510, 13.358204(0.500000, 0.500000, 0.500000)
- H = 20.037306, 8.014922(1.000000, 1.000000, 1.000000)
- O = 31.169143, 12.912931(1.000000, 0.000000, 0.000000)
- ; Instances
- C1 : -114.930076 18.519518 -20.962464
- C10 : 14.986328 0.550302 15.685786
- C11 : 44.754987 11.097821 20.991966
- C12 : 67.963559 -6.430752 27.114412
- C13 : 98.470188 3.435968 32.596703
- C14 : 119.261809 -17.164262 37.810456
- C15 : 150.932903 -11.739271 43.532010
- C16 : -116.691606 51.991993 -15.446754
- C17 : -103.868403 12.727387 -52.178850
- C18 : -83.490637 -35.480434 40.758519
- C19 : -7.946581 51.013767 7.730416
- C2 : -146.995235 6.865599 -17.007322
- C20 : 104.633387 36.050887 31.827767
- C3 : -150.076318 -24.257003 -11.605196
- C4 : -133.005547 -34.337320 15.094249
- C5 : -102.422955 -20.469336 17.558924
- C6 : -93.911738 3.197754 1.407755
- C7 : -64.212981 16.893258 4.114936
- C8 : -37.923574 3.070227 6.628996
- C9 : -9.215128 17.602350 10.150465
- H1 : -158.129630 13.257355 -34.518221
- H10 : 47.520307 31.805395 20.378698
- H11 : 64.830835 -27.399632 29.281830
- H12 : 113.729663 -38.009062 39.626558
- H13 : -122.667962 57.795601 5.908861
- H14 : -99.047649 60.239789 -18.468042
- H15 : -131.609174 61.300360 -31.510655
- H16 : -84.992999 28.653486 -49.394153
- H17 : -115.744637 23.677895 -66.594141
- H18 : -99.845220 -8.164271 -57.696386
- H19 : -67.125307 -21.965816 49.109619
- H2 : -157.351142 12.732647 8.645843
- H20 : -97.314602 -43.762541 57.068156
- H21 : -70.959043 -50.928024 31.313070
- H22 : 4.887381 57.288056 17.587023
- H23 : -11.455614 55.244915 -12.925645
- H24 : -20.999965 63.244395 23.105040
- H25 : 121.680371 41.498563 41.055282
- H26 : 98.088426 44.936083 13.195300
- H27 : 91.321320 46.680430 43.679400
- H28 : 184.796841 -31.192725 57.868347
- H3 : -172.461491 -32.036930 -9.999147
- H4 : -137.561694 -32.311195 -34.330966
- H5 : -129.819125 -57.503526 14.236453
- H6 : -143.316174 -30.613185 35.139026
- H7 : -65.390737 37.791905 3.433880
- H8 : -37.464323 -18.794642 4.716738
- H9 : 12.484931 -21.941979 15.583183
- O1 : 165.072654 -35.991579 51.549532
- O2 : 163.643065 11.888097 41.013529
- ; Bonds
- C1, C16
- C1, C17
- C1, C2
- C1, C6
- C10, C11
- C10, C9
- C10, H9
- C11, C12
- C11, H10
- C12, C13
- C12, H11
- C13, C14
- C13, C20
- C14, C15
- C14, H12
- C15, O1
- C15, O2
- C16, H13
- C16, H14
- C16, H15
- C17, H16
- C17, H17
- C17, H18
- C18, C5
- C18, H19
- C18, H20
- C18, H21
- C19, C9
- C19, H22
- C19, H23
- C19, H24
- C2, C3
- C2, H1
- C2, H2
- C20, H25
- C20, H26
- C20, H27
- C3, C4
- C3, H3
- C3, H4
- C4, C5
- C4, H5
- C4, H6
- C5, C6
- C6, C7
- C7, C8
- C7, H7
- C8, C9
- C8, H8
- H28, O1
-