Approximate re bond lengths are given in parentheses
C
C,1,B1
C,2,B2,1,A1
C,3,B3,2,A2,1,D1,0
F,1,B4,2,A3,3,D2,0
F,1,B5,2,A4,3,D3,0
F,1,B6,2,A5,3,D4,0
H,2,B7,3,A6,4,D5,0
H,2,B8,3,A7,4,D6,0
I,3,B9,2,A8,1,D7,0
H,3,B10,2,A9,1,D8,0
H,4,B11,3,A10,2,D9,0
H,4,B12,3,A11,2,D10,0
H,4,B13,3,A12,2,D11,0
Variables:
B1=1.51203976 (1.5051)
B2=1.52954669 (1.5215)
B3=1.52340078 (1.5158)
B4=1.34561261 (1.3382)
B5=1.34801856 (1.3405)
B6=1.34684944 (1.3394)
B7=1.09411194 (1.092)
B8=1.09278369 (1.090)
B9=2.18264344
B10=1.09169759 (1.089)
B11=1.09186983 (1.087)
B12=1.09382981 (1.090)
B13=1.09377917 (1.090)
A1=113.83017638
A2=115.10651752
A3=110.58547556
A4=111.72501077
A5=112.84249068
A6=111.03983685
A7=110.06704773
A8=107.48634915
A9=109.60207045
A10=110.61280378
A11=110.85095508
A12=109.9419183
D1=-63.18960839
D2=-168.23800601
D3=-48.72392535
D4=72.06986349
D5=58.17487195
D6=177.690591
D7=174.2864057
D8=62.43709813
D9=-175.41933775
D10=-55.03445088
D11=64.97485431
Approximate re bond lengths are given above
C
C,1,B1
C,2,B2,1,A1
C,3,B3,2,A2,1,D1,0
F,1,B4,2,A3,3,D2,0
F,1,B5,2,A4,3,D3,0
F,1,B6,2,A5,3,D4,0
H,2,B7,3,A6,4,D5,0
H,2,B8,3,A7,4,D6,0
I,3,B9,2,A8,1,D7,0
H,3,B10,2,A9,1,D8,0
H,4,B11,3,A10,2,D9,0
H,4,B12,3,A11,2,D10,0
H,4,B13,3,A12,2,D11,0
Variables:
B1=1.50755335
B2=1.52304033
B3=1.51787825
B4=1.34567454
B5=1.34883167
B6=1.34749824
B7=1.08758393
B8=1.08619786
B9=2.15573604
B10=1.08447729
B11=1.08517623
B12=1.08736882
B13=1.08733677
A1=113.55386069
A2=114.99573337
A3=110.71953466
A4=111.83295437
A5=112.66335789
A6=111.12308176
A7=110.20983401
A8=107.72164916
A9=109.56555862
A10=110.67610129
A11=110.98168006
A12=109.97244178
D1=-60.91379081
D2=-165.86033855
D3=-46.15628288
D4=74.4821082
D5=60.13192301
D6=179.63835862
D7=176.04516605
D8=64.17656714
D9=-176.18061593
D10=-55.79778116
D11=64.17017532
Approximate re bond lengths are given above
C
C,1,B1
C,2,B2,1,A1
C,3,B3,2,A2,1,D1,0
F,1,B4,2,A3,3,D2,0
F,1,B5,2,A4,3,D3,0
F,1,B6,2,A5,3,D4,0
H,2,B7,3,A6,4,D5,0
H,2,B8,3,A7,4,D6,0
I,3,B9,2,A8,1,D7,0
H,3,B10,2,A9,1,D8,0
H,4,B11,3,A10,2,D9,0
H,4,B12,3,A11,2,D10,0
H,4,B13,3,A12,2,D11,0
Variables:
B1=1.5097961
B2=1.52456774
B3=1.51876367
B4=1.34690559
B5=1.34954409
B6=1.34829661
B7=1.08897822
B8=1.08782861
B9=2.17120334
B10=1.08599513
B11=1.08684992
B12=1.0888678
B13=1.08888464
A1=113.31316967
A2=114.88267387
A3=110.73844338
A4=111.83027123
A5=112.78223796
A6=110.92573861
A7=110.21043882
A8=107.3014245
A9=109.95489956
A10=110.65277739
A11=110.86280872
A12=109.81244274
D1=-62.58193346
D2=-166.97215463
D3=-47.34885329
D4=73.36472963
D5=58.51973085
D6=178.12624433
D7=175.32872704
D8=63.58754419
D9=-174.92845327
D10=-54.51245244
D11=65.46982624
Approximate re bond lengths are given above
C
C,1,B1
C,2,B2,1,A1
C,3,B3,2,A2,1,D1,0
F,1,B4,2,A3,3,D2,0
F,1,B5,2,A4,3,D3,0
F,1,B6,2,A5,3,D4,0
H,2,B7,3,A6,4,D5,0
H,2,B8,3,A7,4,D6,0
I,3,B9,2,A8,1,D7,0
H,3,B10,2,A9,1,D8,0
H,4,B11,3,A10,2,D9,0
H,4,B12,3,A11,2,D10,0
H,4,B13,3,A12,2,D11,0
Variables:
B1=1.51295696
B2=1.52555398
B3=1.51989065
B4=1.33475458
B5=1.3371563
B6=1.33604604
B7=1.09231863
B8=1.09091032
B9=2.15287795
B10=1.09096733
B11=1.08963701
B12=1.09168041
B13=1.0914964
A1=113.92295382
A2=114.94212877
A3=110.5064322
A4=111.58681414
A5=112.64737295
A6=110.92664404
A7=109.94540528
A8=107.62121242
A9=109.5119263
A10=110.51243148
A11=110.72591939
A12=110.02905482
D1=-62.26829297
D2=-167.66670019
D3=-48.10185457
D4=72.65117918
D5=59.05066256
D6=178.50029062
D7=175.08521117
D8=62.86327395
D9=-175.44811385
D10=-55.20104932
D11=64.86688848