85R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CBF | CBG | sing | 1.53Å | 1.53Å | |
| CBF | CBE | sing | 1.53Å | 1.53Å | |
| CBC | CBD | sing | 1.53Å | 1.53Å | |
| CBC | CBB | sing | 1.53Å | 1.53Å | |
| CBE | CBD | sing | 1.53Å | 1.53Å | |
| CBB | CBA | sing | 1.53Å | 1.52Å | |
| CBA | CB9 | sing | 1.53Å | 1.53Å | |
| CB9 | CB8 | sing | 1.53Å | 1.53Å | |
| CB8 | CB7 | sing | 1.53Å | 1.53Å | |
| CAB | CAA | sing | 1.53Å | 1.53Å | |
| CAB | CAC | sing | 1.53Å | 1.53Å | |
| CAA | CA9 | sing | 1.53Å | 1.53Å | |
| CAE | CAD | sing | 1.53Å | 1.53Å | |
| CAE | CAF | sing | 1.53Å | 1.53Å | |
| CAD | CAC | sing | 1.53Å | 1.53Å | |
| CB7 | CB6 | sing | 1.53Å | 1.52Å | |
| CAF | CAG | sing | 1.53Å | 1.53Å | |
| CA9 | CA8 | sing | 1.53Å | 1.53Å | |
| CB6 | CB5 | sing | 1.53Å | 1.52Å | |
| CA8 | CA7 | sing | 1.53Å | 1.54Å | |
| CB5 | CB4 | sing | 1.53Å | 1.52Å | |
| CA7 | CA6 | sing | 1.53Å | 1.54Å | |
| CA6 | CA5 | sing | 1.53Å | 1.54Å | |
| CB4 | CB3 | sing | 1.53Å | 1.52Å | |
| CB3 | CB2 | sing | 1.53Å | 1.52Å | |
| CA5 | CA4 | sing | 1.53Å | 1.53Å | |
| CB2 | CB1 | sing | 1.51Å | 1.53Å | |
| CA4 | CA3 | sing | 1.53Å | 1.53Å | |
| CA3 | CA2 | sing | 1.53Å | 1.53Å | |
| CB1 | OB2 | doub | 1.21Å | 1.18Å | |
| CB1 | OB1 | sing | 1.34Å | 1.40Å | |
| CA2 | CA1 | sing | 1.51Å | 1.53Å | |
| OA2 | CA1 | doub | 1.21Å | 1.18Å | |
| OB1 | C8 | sing | 1.45Å | 1.39Å | |
| CA1 | OA1 | sing | 1.34Å | 1.41Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| OA1 | C9 | sing | 1.45Å | 1.40Å | |
| C7 | O13 | sing | 1.43Å | 1.40Å | |
| O13 | P1 | sing | 1.61Å | 1.65Å | |
| O12 | P1 | doub | 1.48Å | 1.50Å | |
| P1 | O11 | sing | 1.61Å | 1.49Å | |
| P1 | O1 | sing | 1.61Å | 1.65Å | |
| O1 | C1 | sing | 1.43Å | 1.40Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C1 | C6 | sing | 1.53Å | 1.51Å | |
| O2 | C2 | sing | 1.43Å | 1.40Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| O6 | C6 | sing | 1.43Å | 1.39Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | O5 | sing | 1.43Å | 1.40Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | O3 | sing | 1.43Å | 1.40Å | |
| C4 | O4 | sing | 1.43Å | 1.40Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| CA2 | H6 | sing | 1.09Å | 1.10Å | |
| CA2 | H7 | sing | 1.09Å | 1.10Å | |
| CA3 | H8 | sing | 1.09Å | 1.10Å | |
| CA3 | H9 | sing | 1.09Å | 1.10Å | |
| CA4 | H10 | sing | 1.09Å | 1.10Å | |
| CA4 | H11 | sing | 1.09Å | 1.10Å | |
| CA5 | H12 | sing | 1.09Å | 1.10Å | |
| CA5 | H13 | sing | 1.09Å | 1.10Å | |
| CA6 | H14 | sing | 1.09Å | 1.10Å | |
| CA6 | H15 | sing | 1.09Å | 1.10Å | |
| CA7 | H16 | sing | 1.09Å | 1.10Å | |
| CA7 | H17 | sing | 1.09Å | 1.10Å | |
| CA8 | H18 | sing | 1.09Å | 1.10Å | |
| CA8 | H19 | sing | 1.09Å | 1.10Å | |
| CA9 | H20 | sing | 1.09Å | 1.10Å | |
| CA9 | H21 | sing | 1.09Å | 1.10Å | |
| CAA | H22 | sing | 1.09Å | 1.10Å | |
| CAA | H23 | sing | 1.09Å | 1.10Å | |
| CAB | H24 | sing | 1.09Å | 1.10Å | |
| CAB | H25 | sing | 1.09Å | 1.10Å | |
| CAC | H26 | sing | 1.09Å | 1.10Å | |
| CAC | H27 | sing | 1.09Å | 1.10Å | |
| CAD | H28 | sing | 1.09Å | 1.10Å | |
| CAD | H29 | sing | 1.09Å | 1.10Å | |
| CAE | H30 | sing | 1.09Å | 1.10Å | |
| CAE | H31 | sing | 1.09Å | 1.10Å | |
| CAF | H32 | sing | 1.09Å | 1.10Å | |
| CAF | H33 | sing | 1.09Å | 1.10Å | |
| CAG | H34 | sing | 1.09Å | 1.10Å | |
| CAG | H35 | sing | 1.09Å | 1.10Å | |
| CAG | H36 | sing | 1.09Å | 1.10Å | |
| CB2 | H37 | sing | 1.09Å | 1.10Å | |
| CB2 | H38 | sing | 1.09Å | 1.10Å | |
| CB3 | H39 | sing | 1.09Å | 1.10Å | |
| CB3 | H40 | sing | 1.09Å | 1.10Å | |
| CB4 | H41 | sing | 1.09Å | 1.10Å | |
| CB4 | H42 | sing | 1.09Å | 1.10Å | |
| CB5 | H43 | sing | 1.09Å | 1.10Å | |
| CB5 | H44 | sing | 1.09Å | 1.10Å | |
| CB6 | H45 | sing | 1.09Å | 1.10Å | |
| CB6 | H46 | sing | 1.09Å | 1.10Å | |
| CB7 | H47 | sing | 1.09Å | 1.10Å | |
| CB7 | H48 | sing | 1.09Å | 1.10Å | |
| CB8 | H49 | sing | 1.09Å | 1.10Å | |
| CB8 | H50 | sing | 1.09Å | 1.10Å | |
| CB9 | H51 | sing | 1.09Å | 1.10Å | |
| CB9 | H52 | sing | 1.09Å | 1.10Å | |
| CBA | H53 | sing | 1.09Å | 1.10Å | |
| CBA | H54 | sing | 1.09Å | 1.10Å | |
| CBB | H55 | sing | 1.09Å | 1.10Å | |
| CBB | H56 | sing | 1.09Å | 1.10Å | |
| CBC | H57 | sing | 1.09Å | 1.10Å | |
| CBC | H58 | sing | 1.09Å | 1.10Å | |
| CBD | H59 | sing | 1.09Å | 1.10Å | |
| CBD | H60 | sing | 1.09Å | 1.10Å | |
| CBE | H61 | sing | 1.09Å | 1.10Å | |
| CBE | H62 | sing | 1.09Å | 1.10Å | |
| CBF | H63 | sing | 1.09Å | 1.10Å | |
| CBF | H64 | sing | 1.09Å | 1.10Å | |
| CBG | H65 | sing | 1.09Å | 1.10Å | |
| CBG | H66 | sing | 1.09Å | 1.10Å | |
| CBG | H67 | sing | 1.09Å | 1.10Å | |
| C1 | H68 | sing | 1.09Å | 1.10Å | |
| O2 | H69 | sing | 0.97Å | 0.95Å | |
| O3 | H70 | sing | 0.97Å | 0.95Å | |
| O4 | H71 | sing | 0.97Å | 0.95Å | |
| O5 | H72 | sing | 0.97Å | 0.95Å | |
| O6 | H73 | sing | 0.97Å | 0.95Å | |
| C7 | H74 | sing | 1.09Å | 1.10Å | |
| C7 | H75 | sing | 1.09Å | 1.10Å | |
| C8 | H76 | sing | 1.09Å | 1.10Å | |
| C9 | H77 | sing | 1.09Å | 1.10Å | |
| C9 | H78 | sing | 1.09Å | 1.10Å | |
| O11 | H79 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CBG | CBF | CBE | 113.3° | 109.5° |
| CBG | CBF | H63 | 108.5° | 109.5° |
| CBG | CBF | H64 | 108.5° | 109.5° |
| CBF | CBG | H65 | 109.5° | 109.5° |
| CBF | CBG | H66 | 109.5° | 109.5° |
| CBF | CBG | H67 | 109.4° | 109.5° |
| CBF | CBE | CBD | 113.2° | 109.5° |
| CBF | CBE | H61 | 108.5° | 109.5° |
| CBF | CBE | H62 | 108.5° | 109.5° |
| CBE | CBF | H63 | 108.5° | 109.5° |
| CBE | CBF | H64 | 108.5° | 109.5° |
| CBD | CBC | CBB | 112.3° | 109.5° |
| CBC | CBD | CBE | 112.8° | 109.5° |
| CBD | CBC | H57 | 108.8° | 109.5° |
| CBD | CBC | H58 | 108.8° | 109.5° |
| CBC | CBD | H59 | 108.6° | 109.5° |
| CBC | CBD | H60 | 108.7° | 109.4° |
| CBC | CBB | CBA | 112.2° | 109.5° |
| CBC | CBB | H55 | 108.8° | 109.4° |
| CBC | CBB | H56 | 108.8° | 109.5° |
| CBB | CBC | H57 | 108.8° | 109.4° |
| CBB | CBC | H58 | 108.7° | 109.5° |
| CBE | CBD | H59 | 108.7° | 109.5° |
| CBE | CBD | H60 | 108.6° | 109.5° |
| CBD | CBE | H61 | 108.5° | 109.5° |
| CBD | CBE | H62 | 108.5° | 109.5° |
| CBB | CBA | CB9 | 112.5° | 109.5° |
| CBB | CBA | H53 | 108.7° | 109.4° |
| CBB | CBA | H54 | 108.7° | 109.5° |
| CBA | CBB | H55 | 108.8° | 109.5° |
| CBA | CBB | H56 | 108.8° | 109.5° |
| CBA | CB9 | CB8 | 112.4° | 109.5° |
| CBA | CB9 | H51 | 108.7° | 109.5° |
| CBA | CB9 | H52 | 108.8° | 109.5° |
| CB9 | CBA | H53 | 108.7° | 109.5° |
| CB9 | CBA | H54 | 108.7° | 109.5° |
| CB9 | CB8 | CB7 | 112.2° | 109.5° |
| CB9 | CB8 | H49 | 108.8° | 109.5° |
| CB9 | CB8 | H50 | 108.8° | 109.5° |
| CB8 | CB9 | H51 | 108.7° | 109.5° |
| CB8 | CB9 | H52 | 108.7° | 109.5° |
| CB8 | CB7 | CB6 | 112.2° | 109.5° |
| CB8 | CB7 | H47 | 108.8° | 109.4° |
| CB8 | CB7 | H48 | 108.8° | 109.4° |
| CB7 | CB8 | H49 | 108.8° | 109.4° |
| CB7 | CB8 | H50 | 108.8° | 109.5° |
| CAA | CAB | CAC | 112.3° | 109.5° |
| CAB | CAA | CA9 | 111.8° | 109.5° |
| CAB | CAA | H22 | 108.9° | 109.4° |
| CAB | CAA | H23 | 108.9° | 109.4° |
| CAA | CAB | H24 | 108.8° | 109.5° |
| CAA | CAB | H25 | 108.8° | 109.5° |
| CAB | CAC | CAD | 112.3° | 109.5° |
| CAC | CAB | H24 | 108.8° | 109.4° |
| CAC | CAB | H25 | 108.8° | 109.5° |
| CAB | CAC | H26 | 108.7° | 109.5° |
| CAB | CAC | H27 | 108.8° | 109.4° |
| CAA | CA9 | CA8 | 112.3° | 109.5° |
| CAA | CA9 | H20 | 108.8° | 109.5° |
| CAA | CA9 | H21 | 108.8° | 109.5° |
| CA9 | CAA | H22 | 108.9° | 109.5° |
| CA9 | CAA | H23 | 108.9° | 109.5° |
| CAD | CAE | CAF | 112.5° | 109.5° |
| CAE | CAD | CAC | 112.1° | 109.5° |
| CAE | CAD | H28 | 108.8° | 109.4° |
| CAE | CAD | H29 | 108.8° | 109.5° |
| CAD | CAE | H30 | 108.7° | 109.4° |
| CAD | CAE | H31 | 108.7° | 109.5° |
| CAE | CAF | CAG | 111.9° | 109.4° |
| CAF | CAE | H30 | 108.7° | 109.5° |
| CAF | CAE | H31 | 108.7° | 109.5° |
| CAE | CAF | H32 | 108.9° | 109.4° |
| CAE | CAF | H33 | 108.9° | 109.4° |
| CAD | CAC | H26 | 108.8° | 109.5° |
| CAD | CAC | H27 | 108.8° | 109.5° |
| CAC | CAD | H28 | 108.8° | 109.4° |
| CAC | CAD | H29 | 108.8° | 109.5° |
| CB7 | CB6 | CB5 | 111.7° | 109.5° |
| CB7 | CB6 | H45 | 108.9° | 109.4° |
| CB7 | CB6 | H46 | 108.9° | 109.5° |
| CB6 | CB7 | H47 | 108.8° | 109.5° |
| CB6 | CB7 | H48 | 108.8° | 109.5° |
| CAG | CAF | H32 | 108.9° | 109.5° |
| CAG | CAF | H33 | 108.9° | 109.5° |
| CAF | CAG | H34 | 109.5° | 109.5° |
| CAF | CAG | H35 | 109.4° | 109.5° |
| CAF | CAG | H36 | 109.5° | 109.5° |
| CA9 | CA8 | CA7 | 112.8° | 109.5° |
| CA9 | CA8 | H18 | 108.6° | 109.4° |
| CA9 | CA8 | H19 | 108.6° | 109.4° |
| CA8 | CA9 | H20 | 108.8° | 109.5° |
| CA8 | CA9 | H21 | 108.8° | 109.5° |
| CB6 | CB5 | CB4 | 110.7° | 109.5° |
| CB6 | CB5 | H43 | 109.2° | 109.5° |
| CB6 | CB5 | H44 | 109.2° | 109.5° |
| CB5 | CB6 | H45 | 108.9° | 109.5° |
| CB5 | CB6 | H46 | 108.9° | 109.5° |
| CA8 | CA7 | CA6 | 113.6° | 109.4° |
| CA8 | CA7 | H16 | 108.4° | 109.5° |
| CA8 | CA7 | H17 | 108.4° | 109.5° |
| CA7 | CA8 | H18 | 108.6° | 109.5° |
| CA7 | CA8 | H19 | 108.6° | 109.5° |
| CB5 | CB4 | CB3 | 112.4° | 109.5° |
| CB5 | CB4 | H41 | 108.7° | 109.5° |
| CB5 | CB4 | H42 | 108.8° | 109.5° |
| CB4 | CB5 | H43 | 109.2° | 109.5° |
| CB4 | CB5 | H44 | 109.2° | 109.5° |
| CA7 | CA6 | CA5 | 112.0° | 109.5° |
| CA7 | CA6 | H14 | 108.8° | 109.5° |
| CA7 | CA6 | H15 | 108.8° | 109.5° |
| CA6 | CA7 | H16 | 108.5° | 109.4° |
| CA6 | CA7 | H17 | 108.4° | 109.5° |
| CA6 | CA5 | CA4 | 111.4° | 109.5° |
| CA6 | CA5 | H12 | 109.0° | 109.5° |
| CA6 | CA5 | H13 | 109.0° | 109.5° |
| CA5 | CA6 | H14 | 108.8° | 109.4° |
| CA5 | CA6 | H15 | 108.8° | 109.5° |
| CB4 | CB3 | CB2 | 111.0° | 109.5° |
| CB4 | CB3 | H39 | 109.1° | 109.5° |
| CB4 | CB3 | H40 | 109.1° | 109.5° |
| CB3 | CB4 | H41 | 108.7° | 109.5° |
| CB3 | CB4 | H42 | 108.7° | 109.5° |
| CB3 | CB2 | CB1 | 111.5° | 109.5° |
| CB3 | CB2 | H37 | 109.0° | 109.5° |
| CB3 | CB2 | H38 | 108.9° | 109.5° |
| CB2 | CB3 | H39 | 109.1° | 109.5° |
| CB2 | CB3 | H40 | 109.1° | 109.4° |
| CA5 | CA4 | CA3 | 112.2° | 109.5° |
| CA5 | CA4 | H10 | 108.8° | 109.5° |
| CA5 | CA4 | H11 | 108.8° | 109.5° |
| CA4 | CA5 | H12 | 109.0° | 109.4° |
| CA4 | CA5 | H13 | 109.0° | 109.5° |
| CB2 | CB1 | OB2 | 119.8° | 120.0° |
| CB2 | CB1 | OB1 | 119.8° | 120.0° |
| CB1 | CB2 | H37 | 109.0° | 109.5° |
| CB1 | CB2 | H38 | 109.0° | 109.5° |
| CA4 | CA3 | CA2 | 111.9° | 109.5° |
| CA4 | CA3 | H8 | 108.8° | 109.4° |
| CA4 | CA3 | H9 | 108.9° | 109.5° |
| CA3 | CA4 | H10 | 108.8° | 109.4° |
| CA3 | CA4 | H11 | 108.8° | 109.4° |
| CA3 | CA2 | CA1 | 113.2° | 109.5° |
| CA3 | CA2 | H6 | 108.5° | 109.4° |
| CA3 | CA2 | H7 | 108.5° | 109.5° |
| CA2 | CA3 | H8 | 108.9° | 109.5° |
| CA2 | CA3 | H9 | 108.9° | 109.5° |
| OB2 | CB1 | OB1 | 120.4° | 120.0° |
| CB1 | OB1 | C8 | 114.0° | 117.0° |
| CA2 | CA1 | OA2 | 119.6° | 120.0° |
| CA2 | CA1 | OA1 | 120.1° | 120.0° |
| CA1 | CA2 | H6 | 108.5° | 109.5° |
| CA1 | CA2 | H7 | 108.5° | 109.5° |
| OA2 | CA1 | OA1 | 120.3° | 120.0° |
| OB1 | C8 | C9 | 108.0° | 109.5° |
| OB1 | C8 | C7 | 108.7° | 109.5° |
| OB1 | C8 | H76 | 111.9° | 109.5° |
| CA1 | OA1 | C9 | 114.2° | 117.0° |
| C9 | C8 | C7 | 108.5° | 109.5° |
| C8 | C9 | OA1 | 107.4° | 109.5° |
| C9 | C8 | H76 | 109.8° | 109.5° |
| C8 | C9 | H77 | 110.0° | 109.5° |
| C8 | C9 | H78 | 110.0° | 109.5° |
| C8 | C7 | O13 | 107.0° | 109.5° |
| C8 | C7 | H74 | 110.1° | 109.5° |
| C8 | C7 | H75 | 110.1° | 109.5° |
| C7 | C8 | H76 | 109.9° | 109.4° |
| OA1 | C9 | H77 | 110.0° | 109.5° |
| OA1 | C9 | H78 | 110.0° | 109.5° |
| C7 | O13 | P1 | 117.7° | 123.0° |
| O13 | C7 | H74 | 110.1° | 109.4° |
| O13 | C7 | H75 | 110.1° | 109.5° |
| O13 | P1 | O12 | 108.7° | 109.5° |
| O13 | P1 | O11 | 109.5° | 109.4° |
| O13 | P1 | O1 | 109.3° | 109.5° |
| O12 | P1 | O11 | 108.6° | 109.5° |
| O12 | P1 | O1 | 110.0° | 109.5° |
| O11 | P1 | O1 | 110.7° | 109.5° |
| P1 | O11 | H79 | 109.5° | 114.0° |
| P1 | O1 | C1 | 118.6° | 123.0° |
| O1 | C1 | C2 | 111.2° | 109.5° |
| O1 | C1 | C6 | 108.7° | 109.5° |
| O1 | C1 | H68 | 110.0° | 109.4° |
| C2 | C1 | C6 | 110.3° | 109.5° |
| C1 | C2 | O2 | 108.3° | 109.5° |
| C1 | C2 | C3 | 115.5° | 109.5° |
| C1 | C2 | H1 | 107.8° | 109.5° |
| C2 | C1 | H68 | 108.2° | 109.5° |
| C1 | C6 | O6 | 109.2° | 109.5° |
| C1 | C6 | C5 | 106.6° | 109.5° |
| C1 | C6 | H5 | 109.7° | 109.4° |
| C6 | C1 | H68 | 108.5° | 109.4° |
| O2 | C2 | C3 | 108.0° | 109.5° |
| O2 | C2 | H1 | 109.6° | 109.4° |
| C2 | O2 | H69 | 109.5° | 114.0° |
| C2 | C3 | C4 | 117.8° | 109.4° |
| C2 | C3 | O3 | 108.0° | 109.5° |
| C3 | C2 | H1 | 107.7° | 109.5° |
| C2 | C3 | H2 | 106.8° | 109.5° |
| O6 | C6 | C5 | 110.2° | 109.5° |
| O6 | C6 | H5 | 111.4° | 109.4° |
| C6 | O6 | H73 | 109.5° | 113.9° |
| C6 | C5 | C4 | 109.0° | 109.5° |
| C6 | C5 | O5 | 109.4° | 109.5° |
| C6 | C5 | H4 | 109.1° | 109.5° |
| C5 | C6 | H5 | 109.6° | 109.5° |
| C4 | C5 | O5 | 109.5° | 109.4° |
| C5 | C4 | C3 | 114.7° | 109.4° |
| C5 | C4 | O4 | 108.9° | 109.5° |
| C5 | C4 | H3 | 108.2° | 109.4° |
| C4 | C5 | H4 | 109.0° | 109.5° |
| O5 | C5 | H4 | 110.9° | 109.5° |
| C5 | O5 | H72 | 109.5° | 114.1° |
| C4 | C3 | O3 | 108.6° | 109.4° |
| C3 | C4 | O4 | 106.9° | 109.5° |
| C4 | C3 | H2 | 106.8° | 109.5° |
| C3 | C4 | H3 | 108.1° | 109.5° |
| O3 | C3 | H2 | 108.6° | 109.5° |
| C3 | O3 | H70 | 109.5° | 114.0° |
| O4 | C4 | H3 | 110.0° | 109.5° |
| C4 | O4 | H71 | 109.5° | 114.0° |
| H6 | CA2 | H7 | 109.5° | 109.5° |
| H8 | CA3 | H9 | 109.5° | 109.5° |
| H10 | CA4 | H11 | 109.5° | 109.5° |
| H12 | CA5 | H13 | 109.4° | 109.5° |
| H14 | CA6 | H15 | 109.5° | 109.5° |
| H16 | CA7 | H17 | 109.5° | 109.5° |
| H18 | CA8 | H19 | 109.5° | 109.4° |
| H20 | CA9 | H21 | 109.5° | 109.4° |
| H22 | CAA | H23 | 109.5° | 109.5° |
| H24 | CAB | H25 | 109.5° | 109.4° |
| H26 | CAC | H27 | 109.5° | 109.5° |
| H28 | CAD | H29 | 109.5° | 109.5° |
| H30 | CAE | H31 | 109.5° | 109.4° |
| H32 | CAF | H33 | 109.5° | 109.5° |
| H34 | CAG | H35 | 109.5° | 109.5° |
| H34 | CAG | H36 | 109.5° | 109.4° |
| H35 | CAG | H36 | 109.5° | 109.4° |
| H37 | CB2 | H38 | 109.5° | 109.4° |
| H39 | CB3 | H40 | 109.4° | 109.5° |
| H41 | CB4 | H42 | 109.5° | 109.5° |
| H43 | CB5 | H44 | 109.4° | 109.5° |
| H45 | CB6 | H46 | 109.4° | 109.5° |
| H47 | CB7 | H48 | 109.5° | 109.5° |
| H49 | CB8 | H50 | 109.4° | 109.5° |
| H51 | CB9 | H52 | 109.5° | 109.5° |
| H53 | CBA | H54 | 109.5° | 109.5° |
| H55 | CBB | H56 | 109.5° | 109.5° |
| H57 | CBC | H58 | 109.5° | 109.4° |
| H59 | CBD | H60 | 109.4° | 109.5° |
| H61 | CBE | H62 | 109.5° | 109.5° |
| H63 | CBF | H64 | 109.5° | 109.5° |
| H65 | CBG | H66 | 109.5° | 109.5° |
| H65 | CBG | H67 | 109.5° | 109.5° |
| H66 | CBG | H67 | 109.5° | 109.4° |
| H74 | C7 | H75 | 109.5° | 109.5° |
| H77 | C9 | H78 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CBG | CBF | CBE | H63 | 120.5° | 120.0° |
| CBG | CBF | CBE | H64 | 120.6° | 120.0° |
| CBG | CBF | CBE | CBD | 92.5° | 180.0° |
| CBG | CBF | CBE | H61 | 28.0° | 60.0° |
| CBG | CBF | CBE | H62 | 146.9° | 60.0° |
| CBG | CBF | H63 | H64 | 118.2° | 120.0° |
| CBF | CBG | H65 | H66 | 120.0° | 120.0° |
| CBF | CBG | H65 | H67 | 120.0° | 120.0° |
| CBF | CBG | H66 | H67 | 120.0° | 120.0° |
| CBF | CBE | CBD | CBC | 130.0° | 180.0° |
| CBF | CBE | CBD | H61 | 120.5° | 120.0° |
| CBF | CBE | CBD | H62 | 120.6° | 120.0° |
| CBF | CBE | CBD | H59 | 109.5° | 60.0° |
| CBF | CBE | CBD | H60 | 9.5° | 60.1° |
| CBF | CBE | H61 | H62 | 118.3° | 120.0° |
| CBE | CBF | H63 | H64 | 118.3° | 120.0° |
| CBE | CBF | CBG | H65 | 180.0° | 60.0° |
| CBE | CBF | CBG | H66 | 60.0° | 179.9° |
| CBE | CBF | CBG | H67 | 60.0° | 60.0° |
| CBD | CBC | CBB | H57 | 120.4° | 120.0° |
| CBD | CBC | CBB | H58 | 120.4° | 120.0° |
| CBC | CBD | CBE | H59 | 120.5° | 120.0° |
| CBC | CBD | CBE | H60 | 120.5° | 119.9° |
| CBD | CBC | CBB | CBA | 88.4° | 180.0° |
| CBD | CBC | CBB | H55 | 151.2° | 60.0° |
| CBD | CBC | CBB | H56 | 32.0° | 60.0° |
| CBD | CBC | H57 | H58 | 118.7° | 120.0° |
| CBC | CBD | H59 | H60 | 118.5° | 120.0° |
| CBC | CBD | CBE | H61 | 109.5° | 60.0° |
| CBC | CBD | CBE | H62 | 9.4° | 60.0° |
| CBB | CBC | CBD | CBE | 104.7° | 180.0° |
| CBC | CBB | CBA | H55 | 120.4° | 120.0° |
| CBC | CBB | CBA | H56 | 120.4° | 120.0° |
| CBC | CBB | CBA | CB9 | 141.2° | 180.0° |
| CBC | CBB | CBA | H53 | 20.8° | 60.0° |
| CBC | CBB | CBA | H54 | 98.3° | 60.0° |
| CBC | CBB | H55 | H56 | 118.8° | 119.9° |
| CBB | CBC | H57 | H58 | 118.7° | 120.0° |
| CBB | CBC | CBD | H59 | 15.8° | 60.0° |
| CBB | CBC | CBD | H60 | 134.8° | 60.0° |
| CBE | CBD | CBC | H57 | 15.7° | 60.0° |
| CBE | CBD | CBC | H58 | 134.9° | 60.0° |
| CBE | CBD | H59 | H60 | 118.5° | 120.0° |
| CBD | CBE | H61 | H62 | 118.3° | 120.0° |
| CBD | CBE | CBF | H63 | 147.0° | 60.0° |
| CBD | CBE | CBF | H64 | 28.1° | 60.0° |
| CBB | CBA | CB9 | H53 | 120.5° | 120.0° |
| CBB | CBA | CB9 | H54 | 120.5° | 120.0° |
| CBB | CBA | CB9 | CB8 | 61.5° | 180.0° |
| CBB | CBA | CB9 | H51 | 58.9° | 60.0° |
| CBB | CBA | CB9 | H52 | 178.1° | 60.0° |
| CBB | CBA | H53 | H54 | 118.6° | 120.0° |
| CBA | CBB | H55 | H56 | 118.7° | 120.1° |
| CBA | CBB | CBC | H57 | 32.0° | 60.0° |
| CBA | CBB | CBC | H58 | 151.2° | 59.9° |
| CBA | CB9 | CB8 | H51 | 120.4° | 120.0° |
| CBA | CB9 | CB8 | H52 | 120.4° | 120.0° |
| CBA | CB9 | CB8 | CB7 | 121.4° | 180.0° |
| CBA | CB9 | CB8 | H49 | 118.2° | 60.0° |
| CBA | CB9 | CB8 | H50 | 0.9° | 60.0° |
| CBA | CB9 | H51 | H52 | 118.7° | 120.0° |
| CB9 | CBA | H53 | H54 | 118.6° | 120.0° |
| CB9 | CBA | CBB | H55 | 98.4° | 60.0° |
| CB9 | CBA | CBB | H56 | 20.8° | 60.0° |
| CB9 | CB8 | CB7 | H49 | 120.4° | 120.0° |
| CB9 | CB8 | CB7 | H50 | 120.4° | 120.0° |
| CB9 | CB8 | CB7 | CB6 | 116.3° | 180.0° |
| CB9 | CB8 | CB7 | H47 | 123.3° | 60.0° |
| CB9 | CB8 | CB7 | H48 | 4.1° | 60.0° |
| CB9 | CB8 | H49 | H50 | 118.7° | 120.0° |
| CB8 | CB9 | H51 | H52 | 118.7° | 120.0° |
| CB8 | CB9 | CBA | H53 | 178.0° | 60.0° |
| CB8 | CB9 | CBA | H54 | 58.9° | 60.0° |
| CB8 | CB7 | CB6 | H47 | 120.4° | 120.0° |
| CB8 | CB7 | CB6 | H48 | 120.4° | 120.0° |
| CB8 | CB7 | CB6 | CB5 | 85.6° | 180.0° |
| CB8 | CB7 | CB6 | H45 | 34.7° | 60.0° |
| CB8 | CB7 | CB6 | H46 | 154.0° | 60.0° |
| CB8 | CB7 | H47 | H48 | 118.8° | 119.9° |
| CB7 | CB8 | H49 | H50 | 118.8° | 119.9° |
| CB7 | CB8 | CB9 | H51 | 1.0° | 60.0° |
| CB7 | CB8 | CB9 | H52 | 118.2° | 60.0° |
| CAA | CAB | CAC | H24 | 120.4° | 120.0° |
| CAA | CAB | CAC | H25 | 120.4° | 120.0° |
| CAB | CAA | CA9 | H22 | 120.3° | 120.0° |
| CAB | CAA | CA9 | H23 | 120.3° | 120.0° |
| CAA | CAB | CAC | CAD | 135.9° | 180.0° |
| CAB | CAA | CA9 | CA8 | 135.2° | 180.0° |
| CAB | CAA | CA9 | H20 | 104.4° | 59.9° |
| CAB | CAA | CA9 | H21 | 14.8° | 60.0° |
| CAB | CAA | H22 | H23 | 118.9° | 120.0° |
| CAA | CAB | H24 | H25 | 118.7° | 120.1° |
| CAA | CAB | CAC | H26 | 15.5° | 60.0° |
| CAA | CAB | CAC | H27 | 103.6° | 60.0° |
| CAC | CAB | CAA | CA9 | 46.3° | 180.0° |
| CAB | CAC | CAD | CAE | 89.5° | 180.0° |
| CAB | CAC | CAD | H26 | 120.4° | 120.0° |
| CAB | CAC | CAD | H27 | 120.4° | 119.9° |
| CAC | CAB | CAA | H22 | 74.1° | 60.0° |
| CAC | CAB | CAA | H23 | 166.6° | 60.0° |
| CAC | CAB | H24 | H25 | 118.7° | 119.9° |
| CAB | CAC | H26 | H27 | 118.7° | 120.0° |
| CAB | CAC | CAD | H28 | 150.1° | 60.0° |
| CAB | CAC | CAD | H29 | 30.9° | 60.0° |
| CAA | CA9 | CA8 | H20 | 120.4° | 120.0° |
| CAA | CA9 | CA8 | H21 | 120.4° | 120.0° |
| CAA | CA9 | CA8 | CA7 | 119.9° | 180.0° |
| CAA | CA9 | CA8 | H18 | 0.6° | 59.9° |
| CAA | CA9 | CA8 | H19 | 119.6° | 60.0° |
| CAA | CA9 | H20 | H21 | 118.7° | 119.9° |
| CA9 | CAA | H22 | H23 | 118.9° | 120.0° |
| CA9 | CAA | CAB | H24 | 74.2° | 60.0° |
| CA9 | CAA | CAB | H25 | 166.7° | 60.0° |
| CAD | CAE | CAF | H30 | 120.5° | 119.9° |
| CAD | CAE | CAF | H31 | 120.5° | 120.0° |
| CAE | CAD | CAC | H28 | 120.4° | 120.0° |
| CAE | CAD | CAC | H29 | 120.4° | 120.0° |
| CAD | CAE | CAF | CAG | 111.9° | 180.0° |
| CAE | CAD | CAC | H26 | 150.1° | 60.0° |
| CAE | CAD | CAC | H27 | 30.9° | 60.0° |
| CAE | CAD | H28 | H29 | 118.8° | 120.0° |
| CAD | CAE | H30 | H31 | 118.6° | 119.9° |
| CAD | CAE | CAF | H32 | 8.5° | 60.0° |
| CAD | CAE | CAF | H33 | 127.7° | 60.0° |
| CAF | CAE | CAD | CAC | 62.2° | 180.0° |
| CAE | CAF | CAG | H32 | 120.4° | 120.0° |
| CAE | CAF | CAG | H33 | 120.4° | 120.0° |
| CAF | CAE | CAD | H28 | 58.2° | 60.0° |
| CAF | CAE | CAD | H29 | 177.4° | 60.0° |
| CAF | CAE | H30 | H31 | 118.6° | 120.1° |
| CAE | CAF | H32 | H33 | 118.9° | 120.0° |
| CAE | CAF | CAG | H34 | 180.0° | 60.0° |
| CAE | CAF | CAG | H35 | 60.0° | 179.9° |
| CAE | CAF | CAG | H36 | 60.0° | 60.0° |
| CAD | CAC | CAB | H24 | 103.6° | 60.0° |
| CAD | CAC | CAB | H25 | 15.5° | 60.0° |
| CAD | CAC | H26 | H27 | 118.7° | 120.0° |
| CAC | CAD | H28 | H29 | 118.8° | 120.0° |
| CAC | CAD | CAE | H30 | 58.2° | 60.0° |
| CAC | CAD | CAE | H31 | 177.3° | 59.9° |
| CB7 | CB6 | CB5 | H45 | 120.4° | 120.0° |
| CB7 | CB6 | CB5 | H46 | 120.3° | 120.0° |
| CB7 | CB6 | CB5 | CB4 | 158.0° | 180.0° |
| CB7 | CB6 | CB5 | H43 | 37.8° | 60.0° |
| CB7 | CB6 | CB5 | H44 | 81.8° | 60.0° |
| CB7 | CB6 | H45 | H46 | 119.0° | 120.0° |
| CB6 | CB7 | H47 | H48 | 118.7° | 120.1° |
| CB6 | CB7 | CB8 | H49 | 4.1° | 60.0° |
| CB6 | CB7 | CB8 | H50 | 123.3° | 60.0° |
| CAG | CAF | CAE | H30 | 127.6° | 60.0° |
| CAG | CAF | CAE | H31 | 8.5° | 60.0° |
| CAG | CAF | H32 | H33 | 118.9° | 120.1° |
| CAF | CAG | H34 | H35 | 120.0° | 120.1° |
| CAF | CAG | H34 | H36 | 120.0° | 120.0° |
| CAF | CAG | H35 | H36 | 120.0° | 120.0° |
| CA9 | CA8 | CA7 | H18 | 120.5° | 120.0° |
| CA9 | CA8 | CA7 | H19 | 120.5° | 120.0° |
| CA9 | CA8 | CA7 | CA6 | 16.6° | 180.0° |
| CA9 | CA8 | CA7 | H16 | 104.1° | 60.0° |
| CA9 | CA8 | CA7 | H17 | 137.2° | 60.0° |
| CA9 | CA8 | H18 | H19 | 118.5° | 119.9° |
| CA8 | CA9 | H20 | H21 | 118.7° | 120.0° |
| CA8 | CA9 | CAA | H22 | 14.8° | 60.0° |
| CA8 | CA9 | CAA | H23 | 104.5° | 60.0° |
| CB6 | CB5 | CB4 | H43 | 120.2° | 120.0° |
| CB6 | CB5 | CB4 | H44 | 120.2° | 120.0° |
| CB6 | CB5 | CB4 | CB3 | 142.3° | 180.0° |
| CB6 | CB5 | CB4 | H41 | 21.9° | 60.0° |
| CB6 | CB5 | CB4 | H42 | 97.3° | 60.0° |
| CB6 | CB5 | H43 | H44 | 119.4° | 120.0° |
| CB5 | CB6 | H45 | H46 | 119.0° | 120.0° |
| CB5 | CB6 | CB7 | H47 | 154.0° | 60.0° |
| CB5 | CB6 | CB7 | H48 | 34.8° | 60.0° |
| CA8 | CA7 | CA6 | H16 | 120.6° | 120.0° |
| CA8 | CA7 | CA6 | H17 | 120.6° | 120.0° |
| CA8 | CA7 | CA6 | CA5 | 164.0° | 180.0° |
| CA8 | CA7 | CA6 | H14 | 43.6° | 60.0° |
| CA8 | CA7 | CA6 | H15 | 75.7° | 60.0° |
| CA8 | CA7 | H16 | H17 | 118.1° | 120.0° |
| CA7 | CA8 | H18 | H19 | 118.5° | 120.1° |
| CA7 | CA8 | CA9 | H20 | 119.7° | 60.0° |
| CA7 | CA8 | CA9 | H21 | 0.5° | 60.0° |
| CB5 | CB4 | CB3 | H41 | 120.4° | 120.0° |
| CB5 | CB4 | CB3 | H42 | 120.4° | 120.0° |
| CB5 | CB4 | CB3 | CB2 | 132.8° | 180.0° |
| CB5 | CB4 | CB3 | H39 | 12.6° | 60.0° |
| CB5 | CB4 | CB3 | H40 | 106.9° | 60.0° |
| CB5 | CB4 | H41 | H42 | 118.7° | 120.0° |
| CB4 | CB5 | H43 | H44 | 119.4° | 120.0° |
| CB4 | CB5 | CB6 | H45 | 81.7° | 60.0° |
| CB4 | CB5 | CB6 | H46 | 37.6° | 60.0° |
| CA7 | CA6 | CA5 | H14 | 120.4° | 120.0° |
| CA7 | CA6 | CA5 | H15 | 120.4° | 120.0° |
| CA7 | CA6 | CA5 | CA4 | 33.3° | 180.0° |
| CA7 | CA6 | CA5 | H12 | 153.6° | 60.0° |
| CA7 | CA6 | CA5 | H13 | 87.0° | 60.0° |
| CA7 | CA6 | H14 | H15 | 118.8° | 120.0° |
| CA6 | CA7 | H16 | H17 | 118.1° | 120.0° |
| CA6 | CA7 | CA8 | H18 | 137.1° | 60.0° |
| CA6 | CA7 | CA8 | H19 | 103.9° | 60.0° |
| CA6 | CA5 | CA4 | H12 | 120.3° | 120.0° |
| CA6 | CA5 | CA4 | H13 | 120.3° | 120.0° |
| CA6 | CA5 | CA4 | CA3 | 138.8° | NaN° |
| CA6 | CA5 | CA4 | H10 | 18.4° | 60.0° |
| CA6 | CA5 | CA4 | H11 | 100.7° | 60.0° |
| CA6 | CA5 | H12 | H13 | 119.1° | 120.0° |
| CA5 | CA6 | H14 | H15 | 118.8° | 120.0° |
| CA5 | CA6 | CA7 | H16 | 75.4° | 60.0° |
| CA5 | CA6 | CA7 | H17 | 43.4° | 60.0° |
| CB4 | CB3 | CB2 | H39 | 120.3° | 120.0° |
| CB4 | CB3 | CB2 | H40 | 120.2° | 120.0° |
| CB4 | CB3 | CB2 | CB1 | 137.9° | 180.0° |
| CB4 | CB3 | CB2 | H37 | 17.6° | 59.9° |
| CB4 | CB3 | CB2 | H38 | 101.8° | 60.0° |
| CB4 | CB3 | H39 | H40 | 119.3° | 120.0° |
| CB3 | CB4 | H41 | H42 | 118.7° | 120.0° |
| CB3 | CB4 | CB5 | H43 | 97.5° | 60.0° |
| CB3 | CB4 | CB5 | H44 | 22.1° | 60.0° |
| CB3 | CB2 | CB1 | H37 | 120.3° | 120.1° |
| CB3 | CB2 | CB1 | H38 | 120.3° | 120.0° |
| CB3 | CB2 | CB1 | OB2 | 4.3° | 0.0° |
| CB3 | CB2 | CB1 | OB1 | 175.5° | 180.0° |
| CB3 | CB2 | H37 | H38 | 119.0° | 120.0° |
| CB2 | CB3 | H39 | H40 | 119.3° | 119.9° |
| CB2 | CB3 | CB4 | H41 | 106.7° | 60.0° |
| CB2 | CB3 | CB4 | H42 | 12.4° | 60.0° |
| CA5 | CA4 | CA3 | H10 | 120.4° | 120.0° |
| CA5 | CA4 | CA3 | H11 | 120.4° | 120.0° |
| CA5 | CA4 | CA3 | CA2 | 60.0° | 180.0° |
| CA5 | CA4 | CA3 | H8 | 60.3° | 60.0° |
| CA5 | CA4 | CA3 | H9 | 179.6° | 60.0° |
| CA5 | CA4 | H10 | H11 | 118.7° | 120.1° |
| CA4 | CA5 | H12 | H13 | 119.2° | 120.0° |
| CA4 | CA5 | CA6 | H14 | 87.1° | 60.0° |
| CA4 | CA5 | CA6 | H15 | 153.6° | 60.0° |
| CB2 | CB1 | OB2 | OB1 | 179.8° | 180.0° |
| CB2 | CB1 | OB1 | C8 | 174.3° | 180.0° |
| CB1 | CB2 | H37 | H38 | 119.1° | 120.0° |
| CB1 | CB2 | CB3 | H39 | 101.8° | 60.0° |
| CB1 | CB2 | CB3 | H40 | 17.7° | 60.0° |
| CA4 | CA3 | CA2 | H8 | 120.3° | 120.0° |
| CA4 | CA3 | CA2 | H9 | 120.3° | 120.0° |
| CA4 | CA3 | CA2 | CA1 | 52.9° | 180.0° |
| CA4 | CA3 | CA2 | H6 | 67.7° | 60.0° |
| CA4 | CA3 | CA2 | H7 | 173.4° | 60.0° |
| CA4 | CA3 | H8 | H9 | 118.9° | 120.0° |
| CA3 | CA4 | H10 | H11 | 118.7° | 119.9° |
| CA3 | CA4 | CA5 | H12 | 100.8° | 60.0° |
| CA3 | CA4 | CA5 | H13 | 18.6° | 60.0° |
| CA3 | CA2 | CA1 | H6 | 120.6° | 120.0° |
| CA3 | CA2 | CA1 | H7 | 120.6° | 120.0° |
| CA3 | CA2 | CA1 | OA2 | 99.9° | 0.0° |
| CA3 | CA2 | CA1 | OA1 | 80.1° | 180.0° |
| CA3 | CA2 | H6 | H7 | 118.3° | 120.0° |
| CA2 | CA3 | H8 | H9 | 118.9° | 120.0° |
| CA2 | CA3 | CA4 | H10 | 179.5° | 60.0° |
| CA2 | CA3 | CA4 | H11 | 60.4° | 60.0° |
| OB2 | CB1 | OB1 | C8 | 5.5° | 0.0° |
| OB2 | CB1 | CB2 | H37 | 116.0° | 120.1° |
| OB2 | CB1 | CB2 | H38 | 124.6° | 120.0° |
| CB1 | OB1 | C8 | C9 | 150.4° | 150.0° |
| CB1 | OB1 | C8 | C7 | 92.1° | 90.0° |
| OB1 | CB1 | CB2 | H37 | 64.2° | 59.9° |
| OB1 | CB1 | CB2 | H38 | 55.2° | 60.0° |
| CB1 | OB1 | C8 | H76 | 29.4° | 30.0° |
| CA2 | CA1 | OA2 | OA1 | 180.0° | 180.0° |
| CA2 | CA1 | OA1 | C9 | 173.1° | 180.0° |
| CA1 | CA2 | H6 | H7 | 118.3° | 120.0° |
| CA1 | CA2 | CA3 | H8 | 173.2° | 60.0° |
| CA1 | CA2 | CA3 | H9 | 67.5° | 60.0° |
| OA2 | CA1 | OA1 | C9 | 6.9° | 0.0° |
| OA2 | CA1 | CA2 | H6 | 20.7° | 120.0° |
| OA2 | CA1 | CA2 | H7 | 139.5° | 120.0° |
| OB1 | C8 | C9 | C7 | 117.7° | 120.0° |
| OB1 | C8 | C9 | H76 | 122.2° | 120.0° |
| OB1 | C8 | C7 | H76 | 122.7° | 120.0° |
| OB1 | C8 | C9 | OA1 | 90.8° | 65.0° |
| OB1 | C8 | C7 | O13 | 74.5° | 65.0° |
| OB1 | C8 | C7 | H74 | 165.9° | 175.0° |
| OB1 | C8 | C7 | H75 | 45.2° | 55.0° |
| OB1 | C8 | C9 | H77 | 149.5° | 175.0° |
| OB1 | C8 | C9 | H78 | 28.8° | 55.0° |
| CA1 | OA1 | C9 | C8 | 88.4° | 180.0° |
| OA1 | CA1 | CA2 | H6 | 159.3° | 60.0° |
| OA1 | CA1 | CA2 | H7 | 40.5° | 60.0° |
| CA1 | OA1 | C9 | H77 | 152.0° | 60.0° |
| CA1 | OA1 | C9 | H78 | 31.3° | 60.0° |
| C9 | C8 | C7 | H76 | 120.1° | 120.0° |
| C8 | C9 | OA1 | H77 | 119.7° | 120.0° |
| C8 | C9 | OA1 | H78 | 119.7° | 120.0° |
| C9 | C8 | C7 | O13 | 42.8° | 55.0° |
| C9 | C8 | C7 | H74 | 76.9° | 65.0° |
| C9 | C8 | C7 | H75 | 162.4° | 175.0° |
| C8 | C9 | H77 | H78 | 121.0° | 120.0° |
| C7 | C8 | C9 | OA1 | 151.5° | 55.0° |
| C8 | C7 | O13 | H74 | 119.6° | 120.0° |
| C8 | C7 | O13 | H75 | 119.6° | 120.0° |
| C8 | C7 | O13 | P1 | 169.2° | 180.0° |
| C8 | C7 | H74 | H75 | 121.1° | 120.0° |
| C7 | C8 | C9 | H77 | 31.8° | 65.0° |
| C7 | C8 | C9 | H78 | 88.8° | 175.0° |
| OA1 | C9 | C8 | H76 | 31.4° | 175.0° |
| OA1 | C9 | H77 | H78 | 121.0° | 120.0° |
| C7 | O13 | P1 | O12 | 29.4° | 55.0° |
| C7 | O13 | P1 | O11 | 147.9° | 65.0° |
| C7 | O13 | P1 | O1 | 90.7° | 175.0° |
| O13 | C7 | H74 | H75 | 121.1° | 120.0° |
| O13 | C7 | C8 | H76 | 162.8° | 175.0° |
| O13 | P1 | O12 | O11 | 119.0° | 120.0° |
| O13 | P1 | O12 | O1 | 119.7° | 120.0° |
| O13 | P1 | O11 | O1 | 120.6° | 120.0° |
| O13 | P1 | O1 | C1 | 94.6° | 175.0° |
| P1 | O13 | C7 | H74 | 49.5° | 60.0° |
| P1 | O13 | C7 | H75 | 71.2° | 60.0° |
| O13 | P1 | O11 | H79 | 118.5° | 60.0° |
| O12 | P1 | O11 | O1 | 120.9° | 120.0° |
| O12 | P1 | O1 | C1 | 146.1° | 55.0° |
| O12 | P1 | O11 | H79 | 0.0° | 180.0° |
| O11 | P1 | O1 | C1 | 26.0° | 65.0° |
| P1 | O1 | C1 | C2 | 135.9° | 120.0° |
| P1 | O1 | C1 | C6 | 102.6° | 120.0° |
| P1 | O1 | C1 | H68 | 16.1° | 0.0° |
| O1 | P1 | O11 | H79 | 121.0° | 60.0° |
| O1 | C1 | C2 | C6 | 120.6° | 120.0° |
| O1 | C1 | C2 | H68 | 120.9° | 120.0° |
| O1 | C1 | C6 | H68 | 119.6° | 119.9° |
| O1 | C1 | C2 | O2 | 17.5° | 60.0° |
| O1 | C1 | C2 | C3 | 138.6° | 180.0° |
| O1 | C1 | C6 | O6 | 52.5° | 59.9° |
| O1 | C1 | C6 | C5 | 171.6° | 180.0° |
| O1 | C1 | C2 | H1 | 101.0° | 60.0° |
| O1 | C1 | C6 | H5 | 69.9° | 60.0° |
| C2 | C1 | C6 | H68 | 118.3° | 120.0° |
| C1 | C2 | O2 | C3 | 125.7° | 120.0° |
| C1 | C2 | O2 | H1 | 117.3° | 120.0° |
| C1 | C2 | C3 | H1 | 120.4° | 120.0° |
| C2 | C1 | C6 | O6 | 174.6° | 180.0° |
| C2 | C1 | C6 | C5 | 66.3° | 60.0° |
| C1 | C2 | C3 | C4 | 24.8° | 60.0° |
| C1 | C2 | C3 | O3 | 98.6° | 180.0° |
| C1 | C2 | C3 | H2 | 144.8° | 60.0° |
| C2 | C1 | C6 | H5 | 52.2° | 60.1° |
| C1 | C2 | O2 | H69 | 180.0° | 180.0° |
| C6 | C1 | C2 | O2 | 103.2° | 60.0° |
| C6 | C1 | C2 | C3 | 18.0° | 60.0° |
| C1 | C6 | O6 | C5 | 116.7° | 120.0° |
| C1 | C6 | O6 | H5 | 121.4° | 119.9° |
| C1 | C6 | C5 | H5 | 118.6° | 120.0° |
| C1 | C6 | C5 | C4 | 71.6° | 60.0° |
| C1 | C6 | C5 | O5 | 168.7° | 180.0° |
| C6 | C1 | C2 | H1 | 138.4° | 180.0° |
| C1 | C6 | C5 | H4 | 47.3° | 60.0° |
| C1 | C6 | O6 | H73 | 180.0° | 180.0° |
| O2 | C2 | C3 | H1 | 118.2° | 120.0° |
| O2 | C2 | C3 | C4 | 146.1° | 60.0° |
| O2 | C2 | C3 | O3 | 22.7° | 59.9° |
| O2 | C2 | C3 | H2 | 93.9° | 180.0° |
| O2 | C2 | C1 | H68 | 138.3° | 180.0° |
| C2 | C3 | C4 | C5 | 19.6° | 60.0° |
| C2 | C3 | C4 | O3 | 123.1° | 120.0° |
| C2 | C3 | C4 | H2 | 120.0° | 120.0° |
| C2 | C3 | O3 | H2 | 115.5° | 120.0° |
| C2 | C3 | C4 | O4 | 101.2° | 180.0° |
| C2 | C3 | C4 | H3 | 140.5° | 60.0° |
| C3 | C2 | C1 | H68 | 100.5° | 60.0° |
| C3 | C2 | O2 | H69 | 54.3° | 59.9° |
| C2 | C3 | O3 | H70 | 180.0° | 180.0° |
| O6 | C6 | C5 | H5 | 123.0° | 120.0° |
| O6 | C6 | C5 | C4 | 170.0° | 180.0° |
| O6 | C6 | C5 | O5 | 50.3° | 60.0° |
| O6 | C6 | C5 | H4 | 71.1° | 60.0° |
| O6 | C6 | C1 | H68 | 67.0° | 60.0° |
| C6 | C5 | C4 | O5 | 119.6° | 120.0° |
| C6 | C5 | C4 | H4 | 119.0° | 120.0° |
| C6 | C5 | O5 | H4 | 120.4° | 120.0° |
| C6 | C5 | C4 | C3 | 27.4° | 60.0° |
| C6 | C5 | C4 | O4 | 147.1° | 180.0° |
| C6 | C5 | C4 | H3 | 93.4° | 60.0° |
| C5 | C6 | C1 | H68 | 52.0° | 60.0° |
| C6 | C5 | O5 | H72 | 180.0° | 180.0° |
| C5 | C6 | O6 | H73 | 63.3° | 60.0° |
| C4 | C5 | O5 | H4 | 120.3° | 120.0° |
| C5 | C4 | C3 | O4 | 120.8° | 120.0° |
| C5 | C4 | C3 | H3 | 120.9° | 119.9° |
| C5 | C4 | C3 | O3 | 103.4° | 180.0° |
| C5 | C4 | O4 | H3 | 118.4° | 120.0° |
| C5 | C4 | C3 | H2 | 139.6° | 60.0° |
| C4 | C5 | C6 | H5 | 47.0° | 60.0° |
| C5 | C4 | O4 | H71 | 180.0° | 60.0° |
| C4 | C5 | O5 | H72 | 60.6° | 60.0° |
| O5 | C5 | C4 | C3 | 147.0° | 180.0° |
| O5 | C5 | C4 | O4 | 93.3° | 60.0° |
| O5 | C5 | C4 | H3 | 26.2° | 60.0° |
| O5 | C5 | C6 | H5 | 72.7° | 60.0° |
| C4 | C3 | O3 | H2 | 115.8° | 120.0° |
| C3 | C4 | O4 | H3 | 117.1° | 120.0° |
| C4 | C3 | C2 | H1 | 95.6° | 180.0° |
| C3 | C4 | C5 | H4 | 91.6° | 60.0° |
| C4 | C3 | O3 | H70 | 51.2° | 60.0° |
| C3 | C4 | O4 | H71 | 55.5° | 180.0° |
| O3 | C3 | C4 | O4 | 135.8° | 60.0° |
| O3 | C3 | C2 | H1 | 141.0° | 60.0° |
| O3 | C3 | C4 | H3 | 17.4° | 60.0° |
| O4 | C4 | C3 | H2 | 18.8° | 60.0° |
| O4 | C4 | C5 | H4 | 28.1° | 60.0° |
| H1 | C2 | C3 | H2 | 24.4° | 60.0° |
| H1 | C2 | C1 | H68 | 19.9° | 60.0° |
| H1 | C2 | O2 | H69 | 62.7° | 60.0° |
| H2 | C3 | C4 | H3 | 99.5° | 179.9° |
| H2 | C3 | O3 | H70 | 64.5° | 60.0° |
| H3 | C4 | C5 | H4 | 147.6° | 180.0° |
| H3 | C4 | O4 | H71 | 61.6° | 60.0° |
| H4 | C5 | C6 | H5 | 165.9° | 180.0° |
| H4 | C5 | O5 | H72 | 59.7° | 60.0° |
| H5 | C6 | C1 | H68 | 170.5° | 179.9° |
| H5 | C6 | O6 | H73 | 58.6° | 60.1° |
| H6 | CA2 | CA3 | H8 | 52.7° | 180.0° |
| H6 | CA2 | CA3 | H9 | 172.0° | 60.0° |
| H7 | CA2 | CA3 | H8 | 66.2° | 60.0° |
| H7 | CA2 | CA3 | H9 | 53.1° | 180.0° |
| H8 | CA3 | CA4 | H10 | 60.1° | 180.0° |
| H8 | CA3 | CA4 | H11 | 179.3° | 60.0° |
| H9 | CA3 | CA4 | H10 | 59.2° | 60.0° |
| H9 | CA3 | CA4 | H11 | 60.0° | 180.0° |
| H10 | CA4 | CA5 | H12 | 138.7° | 180.0° |
| H10 | CA4 | CA5 | H13 | 101.9° | 60.0° |
| H11 | CA4 | CA5 | H12 | 19.6° | 60.0° |
| H11 | CA4 | CA5 | H13 | 139.0° | 180.0° |
| H12 | CA5 | CA6 | H14 | 33.2° | 180.0° |
| H12 | CA5 | CA6 | H15 | 86.1° | 60.0° |
| H13 | CA5 | CA6 | H14 | 152.6° | 60.0° |
| H13 | CA5 | CA6 | H15 | 33.3° | 180.0° |
| H14 | CA6 | CA7 | H16 | 164.2° | 180.0° |
| H14 | CA6 | CA7 | H17 | 77.0° | 60.0° |
| H15 | CA6 | CA7 | H16 | 45.0° | 60.0° |
| H15 | CA6 | CA7 | H17 | 163.7° | 180.0° |
| H16 | CA7 | CA8 | H18 | 16.4° | 180.0° |
| H16 | CA7 | CA8 | H19 | 135.4° | 59.9° |
| H17 | CA7 | CA8 | H18 | 102.3° | 60.0° |
| H17 | CA7 | CA8 | H19 | 16.7° | 180.0° |
| H18 | CA8 | CA9 | H20 | 119.9° | 180.0° |
| H18 | CA8 | CA9 | H21 | 121.0° | 60.1° |
| H19 | CA8 | CA9 | H20 | 0.8° | 60.1° |
| H19 | CA8 | CA9 | H21 | 120.0° | 180.0° |
| H20 | CA9 | CAA | H22 | 135.3° | 179.9° |
| H20 | CA9 | CAA | H23 | 15.9° | 60.0° |
| H21 | CA9 | CAA | H22 | 105.6° | 60.0° |
| H21 | CA9 | CAA | H23 | 135.1° | 179.9° |
| H22 | CAA | CAB | H24 | 165.5° | 180.0° |
| H22 | CAA | CAB | H25 | 46.3° | 60.0° |
| H23 | CAA | CAB | H24 | 46.2° | 60.0° |
| H23 | CAA | CAB | H25 | 73.0° | 180.0° |
| H24 | CAB | CAC | H26 | 135.9° | 180.0° |
| H24 | CAB | CAC | H27 | 16.8° | 60.0° |
| H25 | CAB | CAC | H26 | 104.9° | 60.1° |
| H25 | CAB | CAC | H27 | 136.0° | 179.9° |
| H26 | CAC | CAD | H28 | 29.7° | 180.0° |
| H26 | CAC | CAD | H29 | 89.5° | 60.0° |
| H27 | CAC | CAD | H28 | 89.5° | 59.9° |
| H27 | CAC | CAD | H29 | 151.3° | 179.9° |
| H28 | CAD | CAE | H30 | 178.6° | 180.0° |
| H28 | CAD | CAE | H31 | 62.3° | 60.0° |
| H29 | CAD | CAE | H30 | 62.2° | 60.0° |
| H29 | CAD | CAE | H31 | 56.9° | 180.0° |
| H30 | CAE | CAF | H32 | 112.0° | 180.0° |
| H30 | CAE | CAF | H33 | 7.3° | 60.0° |
| H31 | CAE | CAF | H32 | 128.9° | 60.0° |
| H31 | CAE | CAF | H33 | 111.8° | 180.0° |
| H32 | CAF | CAG | H34 | 59.6° | 60.0° |
| H32 | CAF | CAG | H35 | 179.6° | 60.1° |
| H32 | CAF | CAG | H36 | 60.4° | 180.0° |
| H33 | CAF | CAG | H34 | 59.6° | 179.9° |
| H33 | CAF | CAG | H35 | 60.4° | 60.0° |
| H33 | CAF | CAG | H36 | 179.6° | 60.0° |
| H34 | CAG | H35 | H36 | 120.0° | 119.9° |
| H37 | CB2 | CB3 | H39 | 137.8° | 180.0° |
| H37 | CB2 | CB3 | H40 | 102.6° | 60.1° |
| H38 | CB2 | CB3 | H39 | 18.5° | 60.0° |
| H38 | CB2 | CB3 | H40 | 138.0° | 180.0° |
| H39 | CB3 | CB4 | H41 | 133.0° | NaN° |
| H39 | CB3 | CB4 | H42 | 107.9° | 60.0° |
| H40 | CB3 | CB4 | H41 | 13.5° | 60.0° |
| H40 | CB3 | CB4 | H42 | 132.6° | 180.0° |
| H41 | CB4 | CB5 | H43 | 142.1° | 180.0° |
| H41 | CB4 | CB5 | H44 | 98.4° | 60.0° |
| H42 | CB4 | CB5 | H43 | 22.9° | 60.0° |
| H42 | CB4 | CB5 | H44 | 142.5° | 180.0° |
| H43 | CB5 | CB6 | H45 | 158.1° | 180.0° |
| H43 | CB5 | CB6 | H46 | 82.6° | 60.0° |
| H44 | CB5 | CB6 | H45 | 38.6° | 60.0° |
| H44 | CB5 | CB6 | H46 | 157.9° | 180.0° |
| H45 | CB6 | CB7 | H47 | 85.7° | 180.0° |
| H45 | CB6 | CB7 | H48 | 155.1° | 60.0° |
| H46 | CB6 | CB7 | H47 | 33.6° | 60.0° |
| H46 | CB6 | CB7 | H48 | 85.6° | 180.0° |
| H47 | CB7 | CB8 | H49 | 116.3° | 180.0° |
| H47 | CB7 | CB8 | H50 | 2.9° | 60.1° |
| H48 | CB7 | CB8 | H49 | 124.5° | 60.1° |
| H48 | CB7 | CB8 | H50 | 116.3° | 180.0° |
| H49 | CB8 | CB9 | H51 | 121.4° | 180.0° |
| H49 | CB8 | CB9 | H52 | 2.2° | 60.0° |
| H50 | CB8 | CB9 | H51 | 119.5° | 60.0° |
| H50 | CB8 | CB9 | H52 | 121.4° | NaN° |
| H51 | CB9 | CBA | H53 | 61.6° | 180.0° |
| H51 | CB9 | CBA | H54 | 179.4° | 60.0° |
| H52 | CB9 | CBA | H53 | 57.6° | 60.0° |
| H52 | CB9 | CBA | H54 | 61.5° | 180.0° |
| H53 | CBA | CBB | H55 | 141.2° | 180.0° |
| H53 | CBA | CBB | H56 | 99.6° | 60.0° |
| H54 | CBA | CBB | H55 | 22.1° | 60.0° |
| H54 | CBA | CBB | H56 | 141.3° | 180.0° |
| H55 | CBB | CBC | H57 | 88.4° | 180.0° |
| H55 | CBB | CBC | H58 | 30.8° | 60.1° |
| H56 | CBB | CBC | H57 | 152.4° | 60.1° |
| H56 | CBB | CBC | H58 | 88.4° | 180.0° |
| H57 | CBC | CBD | H59 | 136.2° | 180.0° |
| H57 | CBC | CBD | H60 | 104.8° | 60.0° |
| H58 | CBC | CBD | H59 | 104.6° | 60.0° |
| H58 | CBC | CBD | H60 | 14.4° | 179.9° |
| H59 | CBD | CBE | H61 | 11.0° | 180.0° |
| H59 | CBD | CBE | H62 | 129.9° | 60.0° |
| H60 | CBD | CBE | H61 | 130.0° | 59.9° |
| H60 | CBD | CBE | H62 | 111.1° | 179.9° |
| H61 | CBE | CBF | H63 | 92.5° | 180.0° |
| H61 | CBE | CBF | H64 | 148.6° | 60.0° |
| H62 | CBE | CBF | H63 | 26.4° | 60.0° |
| H62 | CBE | CBF | H64 | 92.5° | 180.0° |
| H63 | CBF | CBG | H65 | 59.5° | 60.0° |
| H63 | CBF | CBG | H66 | 60.6° | 60.1° |
| H63 | CBF | CBG | H67 | 179.5° | 180.0° |
| H64 | CBF | CBG | H65 | 59.4° | 180.0° |
| H64 | CBF | CBG | H66 | 179.5° | 60.0° |
| H64 | CBF | CBG | H67 | 60.6° | 60.0° |
| H65 | CBG | H66 | H67 | 120.0° | 120.0° |
| H74 | C7 | C8 | H76 | 43.2° | 55.0° |
| H75 | C7 | C8 | H76 | 77.6° | 65.0° |
| H76 | C8 | C9 | H77 | 88.3° | 55.0° |
| H76 | C8 | C9 | H78 | 151.0° | 65.0° |
