PIK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA2 | CA3 | sing | 1.53Å | 1.53Å | |
| CA2 | CA1 | sing | 1.51Å | 1.56Å | |
| OA1 | CA1 | sing | 1.34Å | 1.45Å | |
| OA1 | C9 | sing | 1.45Å | 1.45Å | |
| CA3 | CA4 | sing | 1.53Å | 1.53Å | |
| O3 | C3 | sing | 1.43Å | 1.43Å | |
| OB2 | CB1 | doub | 1.21Å | 1.22Å | |
| CA1 | OA2 | doub | 1.21Å | 1.23Å | |
| O41 | P4 | doub | 1.48Å | 1.51Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| OB1 | CB1 | sing | 1.34Å | 1.46Å | |
| OB1 | C8 | sing | 1.45Å | 1.46Å | |
| CB1 | CB2 | sing | 1.51Å | 1.54Å | |
| CA4 | CA5 | sing | 1.53Å | 1.53Å | |
| CA5 | CA6 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| P4 | O42 | sing | 1.61Å | 1.51Å | |
| P4 | O4 | sing | 1.61Å | 1.55Å | |
| P4 | O43 | sing | 1.61Å | 1.51Å | |
| O2 | C2 | sing | 1.43Å | 1.40Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| CB3 | CB2 | sing | 1.53Å | 1.55Å | |
| CB3 | CB4 | sing | 1.53Å | 1.55Å | |
| O4 | C4 | sing | 1.43Å | 1.42Å | |
| C7 | O13 | sing | 1.43Å | 1.44Å | |
| O13 | P1 | sing | 1.61Å | 1.59Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| CA6 | CA7 | sing | 1.53Å | 1.55Å | |
| CB5 | CB4 | sing | 1.53Å | 1.56Å | |
| CB5 | CB6 | sing | 1.53Å | 1.54Å | |
| CA7 | CA8 | sing | 1.53Å | 1.54Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | C6 | sing | 1.53Å | 1.52Å | |
| O11 | P1 | doub | 1.48Å | 1.51Å | |
| O1 | P1 | sing | 1.61Å | 1.58Å | |
| P1 | O12 | sing | 1.61Å | 1.50Å | |
| CB6 | CB7 | sing | 1.53Å | 1.56Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| C5 | O5 | sing | 1.43Å | 1.38Å | |
| CA9 | CA8 | sing | 1.53Å | 1.55Å | |
| CA9 | CAA | sing | 1.53Å | 1.53Å | |
| C6 | O6 | sing | 1.43Å | 1.44Å | |
| O5 | P5 | sing | 1.61Å | 1.58Å | |
| CB7 | CB8 | sing | 1.53Å | 1.54Å | |
| CAB | CAA | sing | 1.53Å | 1.53Å | |
| CAB | CAC | sing | 1.53Å | 1.54Å | |
| O53 | P5 | doub | 1.48Å | 1.51Å | |
| P5 | O52 | sing | 1.61Å | 1.52Å | |
| P5 | O51 | sing | 1.61Å | 1.50Å | |
| CB8 | CB9 | sing | 1.53Å | 1.54Å | |
| CAC | CAD | sing | 1.53Å | 1.52Å | |
| CAD | CAE | sing | 1.53Å | 1.54Å | |
| CB9 | CBA | sing | 1.53Å | 1.53Å | |
| CBC | CBB | sing | 1.53Å | 1.54Å | |
| CBC | CBD | sing | 1.53Å | 1.58Å | |
| CBB | CBA | sing | 1.53Å | 1.54Å | |
| CBD | CBE | sing | 1.53Å | 1.53Å | |
| CAE | CAF | sing | 1.53Å | 1.52Å | |
| CBE | CBF | sing | 1.53Å | 1.56Å | |
| CAF | CAG | sing | 1.53Å | 1.52Å | |
| CBF | CBG | sing | 1.53Å | 1.51Å | |
| O12 | H1 | sing | 0.97Å | 0.95Å | |
| CBG | H2 | sing | 1.09Å | 1.10Å | |
| CBG | H3 | sing | 1.09Å | 1.10Å | |
| CBG | H4 | sing | 1.09Å | 1.10Å | |
| CBF | H5 | sing | 1.09Å | 1.10Å | |
| CBF | H6 | sing | 1.09Å | 1.10Å | |
| CBE | H7 | sing | 1.09Å | 1.10Å | |
| CBE | H8 | sing | 1.09Å | 1.10Å | |
| CBD | H9 | sing | 1.09Å | 1.10Å | |
| CBD | H10 | sing | 1.09Å | 1.10Å | |
| CBC | H11 | sing | 1.09Å | 1.10Å | |
| CBC | H12 | sing | 1.09Å | 1.10Å | |
| CBB | H13 | sing | 1.09Å | 1.10Å | |
| CBB | H14 | sing | 1.09Å | 1.10Å | |
| CBA | H15 | sing | 1.09Å | 1.10Å | |
| CBA | H16 | sing | 1.09Å | 1.10Å | |
| CB9 | H17 | sing | 1.09Å | 1.10Å | |
| CB9 | H18 | sing | 1.09Å | 1.10Å | |
| CB8 | H19 | sing | 1.09Å | 1.10Å | |
| CB8 | H20 | sing | 1.09Å | 1.10Å | |
| CB7 | H21 | sing | 1.09Å | 1.10Å | |
| CB7 | H22 | sing | 1.09Å | 1.10Å | |
| CB6 | H23 | sing | 1.09Å | 1.10Å | |
| CB6 | H24 | sing | 1.09Å | 1.10Å | |
| CB5 | H25 | sing | 1.09Å | 1.10Å | |
| CB5 | H26 | sing | 1.09Å | 1.10Å | |
| CB4 | H27 | sing | 1.09Å | 1.10Å | |
| CB4 | H28 | sing | 1.09Å | 1.10Å | |
| CB3 | H29 | sing | 1.09Å | 1.10Å | |
| CB3 | H30 | sing | 1.09Å | 1.10Å | |
| CB2 | H31 | sing | 1.09Å | 1.10Å | |
| CB2 | H32 | sing | 1.09Å | 1.10Å | |
| C8 | H33 | sing | 1.09Å | 1.10Å | |
| C7 | H34 | sing | 1.09Å | 1.10Å | |
| C7 | H35 | sing | 1.09Å | 1.10Å | |
| C1 | H36 | sing | 1.09Å | 1.10Å | |
| C2 | H37 | sing | 1.09Å | 1.10Å | |
| C3 | H38 | sing | 1.09Å | 1.10Å | |
| C4 | H39 | sing | 1.09Å | 1.10Å | |
| C5 | H40 | sing | 1.09Å | 1.10Å | |
| C6 | H41 | sing | 1.09Å | 1.10Å | |
| O2 | H42 | sing | 0.97Å | 0.95Å | |
| O3 | H43 | sing | 0.97Å | 0.95Å | |
| O6 | H44 | sing | 0.97Å | 0.95Å | |
| O42 | H45 | sing | 0.97Å | 0.95Å | |
| O43 | H46 | sing | 0.97Å | 0.95Å | |
| O51 | H47 | sing | 0.97Å | 0.95Å | |
| O52 | H48 | sing | 0.97Å | 0.95Å | |
| C9 | H49 | sing | 1.09Å | 1.10Å | |
| C9 | H50 | sing | 1.09Å | 1.10Å | |
| CA2 | H51 | sing | 1.09Å | 1.10Å | |
| CA2 | H52 | sing | 1.09Å | 1.10Å | |
| CA3 | H53 | sing | 1.09Å | 1.10Å | |
| CA3 | H54 | sing | 1.09Å | 1.10Å | |
| CA4 | H55 | sing | 1.09Å | 1.10Å | |
| CA4 | H56 | sing | 1.09Å | 1.10Å | |
| CA5 | H57 | sing | 1.09Å | 1.10Å | |
| CA5 | H58 | sing | 1.09Å | 1.10Å | |
| CA6 | H59 | sing | 1.09Å | 1.10Å | |
| CA6 | H60 | sing | 1.09Å | 1.10Å | |
| CA7 | H61 | sing | 1.09Å | 1.10Å | |
| CA7 | H62 | sing | 1.09Å | 1.10Å | |
| CA8 | H63 | sing | 1.09Å | 1.10Å | |
| CA8 | H64 | sing | 1.09Å | 1.10Å | |
| CA9 | H65 | sing | 1.09Å | 1.10Å | |
| CA9 | H66 | sing | 1.09Å | 1.10Å | |
| CAA | H67 | sing | 1.09Å | 1.10Å | |
| CAA | H68 | sing | 1.09Å | 1.10Å | |
| CAB | H69 | sing | 1.09Å | 1.10Å | |
| CAB | H70 | sing | 1.09Å | 1.10Å | |
| CAC | H71 | sing | 1.09Å | 1.10Å | |
| CAC | H72 | sing | 1.09Å | 1.10Å | |
| CAD | H73 | sing | 1.09Å | 1.10Å | |
| CAD | H74 | sing | 1.09Å | 1.10Å | |
| CAE | H75 | sing | 1.09Å | 1.10Å | |
| CAE | H76 | sing | 1.09Å | 1.10Å | |
| CAF | H77 | sing | 1.09Å | 1.10Å | |
| CAF | H78 | sing | 1.09Å | 1.10Å | |
| CAG | H79 | sing | 1.09Å | 1.10Å | |
| CAG | H80 | sing | 1.09Å | 1.10Å | |
| CAG | H81 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA3 | CA2 | CA1 | 112.5° | 109.5° |
| CA2 | CA3 | CA4 | 113.3° | 109.5° |
| CA3 | CA2 | H51 | 108.7° | 109.5° |
| CA3 | CA2 | H52 | 108.7° | 109.5° |
| CA2 | CA3 | H53 | 108.5° | 109.5° |
| CA2 | CA3 | H54 | 108.5° | 109.5° |
| CA2 | CA1 | OA1 | 119.4° | 120.0° |
| CA2 | CA1 | OA2 | 119.0° | 119.9° |
| CA1 | CA2 | H51 | 108.7° | 109.5° |
| CA1 | CA2 | H52 | 108.7° | 109.5° |
| CA1 | OA1 | C9 | 115.9° | 117.0° |
| OA1 | CA1 | OA2 | 120.3° | 120.0° |
| OA1 | C9 | C8 | 108.8° | 109.5° |
| OA1 | C9 | H49 | 109.7° | 109.5° |
| OA1 | C9 | H50 | 109.6° | 109.5° |
| CA3 | CA4 | CA5 | 111.5° | 109.5° |
| CA4 | CA3 | H53 | 108.5° | 109.5° |
| CA4 | CA3 | H54 | 108.5° | 109.4° |
| CA3 | CA4 | H55 | 109.0° | 109.5° |
| CA3 | CA4 | H56 | 109.0° | 109.4° |
| O3 | C3 | C2 | 110.5° | 109.5° |
| O3 | C3 | C4 | 111.1° | 109.5° |
| O3 | C3 | H38 | 109.1° | 109.5° |
| C3 | O3 | H43 | 109.5° | 114.0° |
| OB2 | CB1 | OB1 | 119.5° | 120.0° |
| OB2 | CB1 | CB2 | 119.1° | 120.0° |
| O41 | P4 | O42 | 109.5° | 109.5° |
| O41 | P4 | O4 | 109.2° | 109.5° |
| O41 | P4 | O43 | 109.6° | 109.5° |
| C9 | C8 | OB1 | 109.3° | 109.5° |
| C9 | C8 | C7 | 114.0° | 109.5° |
| C9 | C8 | H33 | 107.4° | 109.5° |
| C8 | C9 | H49 | 109.6° | 109.4° |
| C8 | C9 | H50 | 109.6° | 109.5° |
| CB1 | OB1 | C8 | 116.7° | 117.0° |
| OB1 | CB1 | CB2 | 118.6° | 120.0° |
| OB1 | C8 | C7 | 110.0° | 109.5° |
| OB1 | C8 | H33 | 108.5° | 109.5° |
| CB1 | CB2 | CB3 | 112.3° | 109.5° |
| CB1 | CB2 | H31 | 108.8° | 109.5° |
| CB1 | CB2 | H32 | 108.8° | 109.5° |
| CA4 | CA5 | CA6 | 113.1° | 109.5° |
| CA5 | CA4 | H55 | 109.0° | 109.5° |
| CA5 | CA4 | H56 | 109.0° | 109.4° |
| CA4 | CA5 | H57 | 108.6° | 109.5° |
| CA4 | CA5 | H58 | 108.6° | 109.4° |
| CA5 | CA6 | CA7 | 111.9° | 109.4° |
| CA6 | CA5 | H57 | 108.5° | 109.6° |
| CA6 | CA5 | H58 | 108.5° | 109.5° |
| CA5 | CA6 | H59 | 108.9° | 109.5° |
| CA5 | CA6 | H60 | 108.9° | 109.4° |
| C2 | C3 | C4 | 110.3° | 109.5° |
| C3 | C2 | O2 | 108.7° | 109.5° |
| C3 | C2 | C1 | 108.7° | 109.5° |
| C3 | C2 | H37 | 109.7° | 109.5° |
| C2 | C3 | H38 | 108.0° | 109.5° |
| C3 | C4 | O4 | 110.2° | 109.5° |
| C3 | C4 | C5 | 110.5° | 109.5° |
| C4 | C3 | H38 | 107.8° | 109.5° |
| C3 | C4 | H39 | 107.7° | 109.5° |
| C8 | C7 | O13 | 109.6° | 109.4° |
| C7 | C8 | H33 | 107.5° | 109.5° |
| C8 | C7 | H34 | 109.4° | 109.4° |
| C8 | C7 | H35 | 109.4° | 109.5° |
| O42 | P4 | O4 | 109.5° | 109.5° |
| O42 | P4 | O43 | 109.6° | 109.5° |
| P4 | O42 | H45 | 109.5° | 114.0° |
| O4 | P4 | O43 | 109.5° | 109.4° |
| P4 | O4 | C4 | 118.3° | 123.0° |
| P4 | O43 | H46 | 109.5° | 114.0° |
| O2 | C2 | C1 | 108.7° | 109.5° |
| O2 | C2 | H37 | 111.3° | 109.4° |
| C2 | O2 | H42 | 109.5° | 114.0° |
| C2 | C1 | O1 | 110.5° | 109.5° |
| C2 | C1 | C6 | 110.1° | 109.5° |
| C2 | C1 | H36 | 107.6° | 109.4° |
| C1 | C2 | H37 | 109.6° | 109.5° |
| CB2 | CB3 | CB4 | 112.5° | 109.5° |
| CB2 | CB3 | H29 | 108.7° | 109.5° |
| CB2 | CB3 | H30 | 108.7° | 109.5° |
| CB3 | CB2 | H31 | 108.7° | 109.4° |
| CB3 | CB2 | H32 | 108.7° | 109.4° |
| CB3 | CB4 | CB5 | 112.4° | 109.5° |
| CB3 | CB4 | H27 | 108.7° | 109.5° |
| CB3 | CB4 | H28 | 108.8° | 109.4° |
| CB4 | CB3 | H29 | 108.7° | 109.5° |
| CB4 | CB3 | H30 | 108.7° | 109.5° |
| O4 | C4 | C5 | 111.4° | 109.5° |
| O4 | C4 | H39 | 109.1° | 109.5° |
| C7 | O13 | P1 | 117.2° | 123.0° |
| O13 | C7 | H34 | 109.5° | 109.5° |
| O13 | C7 | H35 | 109.5° | 109.5° |
| O13 | P1 | O11 | 109.1° | 109.4° |
| O13 | P1 | O1 | 109.7° | 109.5° |
| O13 | P1 | O12 | 109.8° | 109.5° |
| C4 | C5 | C6 | 109.3° | 109.5° |
| C4 | C5 | O5 | 110.6° | 109.5° |
| C5 | C4 | H39 | 107.8° | 109.5° |
| C4 | C5 | H40 | 108.1° | 109.5° |
| CA6 | CA7 | CA8 | 112.4° | 109.5° |
| CA7 | CA6 | H59 | 108.9° | 109.5° |
| CA7 | CA6 | H60 | 108.9° | 109.5° |
| CA6 | CA7 | H61 | 108.8° | 109.5° |
| CA6 | CA7 | H62 | 108.7° | 109.5° |
| CB4 | CB5 | CB6 | 113.2° | 109.4° |
| CB4 | CB5 | H25 | 108.6° | 109.5° |
| CB4 | CB5 | H26 | 108.5° | 109.5° |
| CB5 | CB4 | H27 | 108.7° | 109.5° |
| CB5 | CB4 | H28 | 108.7° | 109.5° |
| CB5 | CB6 | CB7 | 112.8° | 109.5° |
| CB5 | CB6 | H23 | 108.6° | 109.4° |
| CB5 | CB6 | H24 | 108.7° | 109.5° |
| CB6 | CB5 | H25 | 108.5° | 109.5° |
| CB6 | CB5 | H26 | 108.5° | 109.5° |
| CA7 | CA8 | CA9 | 112.1° | 109.5° |
| CA8 | CA7 | H61 | 108.7° | 109.5° |
| CA8 | CA7 | H62 | 108.7° | 109.4° |
| CA7 | CA8 | H63 | 108.8° | 109.5° |
| CA7 | CA8 | H64 | 108.8° | 109.4° |
| O1 | C1 | C6 | 112.1° | 109.5° |
| C1 | O1 | P1 | 117.2° | 123.0° |
| O1 | C1 | H36 | 108.8° | 109.5° |
| C1 | C6 | C5 | 109.1° | 109.4° |
| C1 | C6 | O6 | 111.0° | 109.5° |
| C6 | C1 | H36 | 107.6° | 109.5° |
| C1 | C6 | H41 | 108.3° | 109.5° |
| O11 | P1 | O1 | 109.0° | 109.5° |
| O11 | P1 | O12 | 109.4° | 109.5° |
| O1 | P1 | O12 | 109.9° | 109.5° |
| P1 | O12 | H1 | 109.5° | 114.1° |
| CB6 | CB7 | CB8 | 112.4° | 109.5° |
| CB6 | CB7 | H21 | 108.7° | 109.5° |
| CB6 | CB7 | H22 | 108.7° | 109.5° |
| CB7 | CB6 | H23 | 108.6° | 109.5° |
| CB7 | CB6 | H24 | 108.6° | 109.5° |
| C6 | C5 | O5 | 110.5° | 109.5° |
| C5 | C6 | O6 | 110.8° | 109.5° |
| C6 | C5 | H40 | 108.2° | 109.5° |
| C5 | C6 | H41 | 108.3° | 109.5° |
| C5 | O5 | P5 | 118.5° | 123.0° |
| O5 | C5 | H40 | 110.0° | 109.5° |
| CA8 | CA9 | CAA | 112.8° | 109.5° |
| CA9 | CA8 | H63 | 108.8° | 109.5° |
| CA9 | CA8 | H64 | 108.8° | 109.5° |
| CA8 | CA9 | H65 | 108.6° | 109.5° |
| CA8 | CA9 | H66 | 108.6° | 109.5° |
| CA9 | CAA | CAB | 111.7° | 109.5° |
| CAA | CA9 | H65 | 108.6° | 109.5° |
| CAA | CA9 | H66 | 108.7° | 109.5° |
| CA9 | CAA | H67 | 108.9° | 109.5° |
| CA9 | CAA | H68 | 108.9° | 109.5° |
| O6 | C6 | H41 | 109.3° | 109.5° |
| C6 | O6 | H44 | 109.5° | 114.0° |
| O5 | P5 | O53 | 109.5° | 109.5° |
| O5 | P5 | O52 | 109.5° | 109.5° |
| O5 | P5 | O51 | 109.5° | 109.5° |
| CB7 | CB8 | CB9 | 112.4° | 109.5° |
| CB7 | CB8 | H19 | 108.7° | 109.4° |
| CB7 | CB8 | H20 | 108.8° | 109.5° |
| CB8 | CB7 | H21 | 108.7° | 109.4° |
| CB8 | CB7 | H22 | 108.7° | 109.5° |
| CAA | CAB | CAC | 112.4° | 109.5° |
| CAB | CAA | H67 | 108.9° | 109.5° |
| CAB | CAA | H68 | 108.9° | 109.4° |
| CAA | CAB | H69 | 108.7° | 109.5° |
| CAA | CAB | H70 | 108.7° | 109.4° |
| CAB | CAC | CAD | 111.7° | 109.5° |
| CAC | CAB | H69 | 108.8° | 109.5° |
| CAC | CAB | H70 | 108.7° | 109.5° |
| CAB | CAC | H71 | 108.9° | 109.5° |
| CAB | CAC | H72 | 108.9° | 109.5° |
| O53 | P5 | O52 | 109.5° | 109.4° |
| O53 | P5 | O51 | 109.4° | 109.5° |
| O52 | P5 | O51 | 109.4° | 109.5° |
| P5 | O52 | H48 | 109.5° | 114.0° |
| P5 | O51 | H47 | 109.5° | 114.0° |
| CB8 | CB9 | CBA | 113.0° | 109.5° |
| CB8 | CB9 | H17 | 108.6° | 109.4° |
| CB8 | CB9 | H18 | 108.6° | 109.5° |
| CB9 | CB8 | H19 | 108.7° | 109.4° |
| CB9 | CB8 | H20 | 108.7° | 109.5° |
| CAC | CAD | CAE | 112.5° | 109.5° |
| CAD | CAC | H71 | 108.9° | 109.5° |
| CAD | CAC | H72 | 108.9° | 109.5° |
| CAC | CAD | H73 | 108.7° | 109.5° |
| CAC | CAD | H74 | 108.7° | 109.5° |
| CAD | CAE | CAF | 112.8° | 109.5° |
| CAE | CAD | H73 | 108.7° | 109.5° |
| CAE | CAD | H74 | 108.7° | 109.5° |
| CAD | CAE | H75 | 108.6° | 109.5° |
| CAD | CAE | H76 | 108.6° | 109.5° |
| CB9 | CBA | CBB | 112.9° | 109.5° |
| CB9 | CBA | H15 | 108.6° | 109.5° |
| CB9 | CBA | H16 | 108.6° | 109.5° |
| CBA | CB9 | H17 | 108.6° | 109.5° |
| CBA | CB9 | H18 | 108.6° | 109.5° |
| CBB | CBC | CBD | 112.6° | 109.5° |
| CBC | CBB | CBA | 112.5° | 109.5° |
| CBB | CBC | H11 | 108.7° | 109.5° |
| CBB | CBC | H12 | 108.7° | 109.5° |
| CBC | CBB | H13 | 108.7° | 109.5° |
| CBC | CBB | H14 | 108.7° | 109.5° |
| CBC | CBD | CBE | 111.6° | 109.5° |
| CBC | CBD | H9 | 108.9° | 109.4° |
| CBC | CBD | H10 | 108.9° | 109.5° |
| CBD | CBC | H11 | 108.7° | 109.4° |
| CBD | CBC | H12 | 108.7° | 109.5° |
| CBA | CBB | H13 | 108.7° | 109.5° |
| CBA | CBB | H14 | 108.7° | 109.5° |
| CBB | CBA | H15 | 108.6° | 109.5° |
| CBB | CBA | H16 | 108.6° | 109.5° |
| CBD | CBE | CBF | 111.9° | 109.5° |
| CBD | CBE | H7 | 108.8° | 109.5° |
| CBD | CBE | H8 | 108.9° | 109.4° |
| CBE | CBD | H9 | 109.0° | 109.5° |
| CBE | CBD | H10 | 108.9° | 109.5° |
| CAE | CAF | CAG | 112.4° | 109.5° |
| CAF | CAE | H75 | 108.6° | 109.5° |
| CAF | CAE | H76 | 108.6° | 109.5° |
| CAE | CAF | H77 | 108.7° | 109.5° |
| CAE | CAF | H78 | 108.7° | 109.5° |
| CBE | CBF | CBG | 111.4° | 109.5° |
| CBE | CBF | H5 | 109.0° | 109.5° |
| CBE | CBF | H6 | 109.0° | 109.5° |
| CBF | CBE | H7 | 108.9° | 109.5° |
| CBF | CBE | H8 | 108.9° | 109.4° |
| CAG | CAF | H77 | 108.7° | 109.5° |
| CAG | CAF | H78 | 108.7° | 109.4° |
| CAF | CAG | H79 | 109.5° | 109.5° |
| CAF | CAG | H80 | 109.5° | 109.5° |
| CAF | CAG | H81 | 109.5° | 109.5° |
| CBF | CBG | H2 | 109.5° | 109.5° |
| CBF | CBG | H3 | 109.5° | 109.5° |
| CBF | CBG | H4 | 109.5° | 109.5° |
| CBG | CBF | H5 | 109.0° | 109.5° |
| CBG | CBF | H6 | 109.0° | 109.5° |
| H2 | CBG | H3 | 109.5° | 109.4° |
| H2 | CBG | H4 | 109.5° | 109.5° |
| H3 | CBG | H4 | 109.4° | 109.5° |
| H5 | CBF | H6 | 109.5° | 109.4° |
| H7 | CBE | H8 | 109.5° | 109.5° |
| H9 | CBD | H10 | 109.5° | 109.4° |
| H11 | CBC | H12 | 109.5° | 109.5° |
| H13 | CBB | H14 | 109.5° | 109.4° |
| H15 | CBA | H16 | 109.5° | 109.5° |
| H17 | CB9 | H18 | 109.5° | 109.4° |
| H19 | CB8 | H20 | 109.5° | 109.5° |
| H21 | CB7 | H22 | 109.5° | 109.5° |
| H23 | CB6 | H24 | 109.5° | 109.5° |
| H25 | CB5 | H26 | 109.4° | 109.5° |
| H27 | CB4 | H28 | 109.5° | 109.5° |
| H29 | CB3 | H30 | 109.4° | 109.4° |
| H31 | CB2 | H32 | 109.5° | 109.5° |
| H34 | C7 | H35 | 109.5° | 109.5° |
| H49 | C9 | H50 | 109.5° | 109.5° |
| H51 | CA2 | H52 | 109.5° | 109.4° |
| H53 | CA3 | H54 | 109.5° | 109.4° |
| H55 | CA4 | H56 | 109.4° | 109.5° |
| H57 | CA5 | H58 | 109.4° | 109.4° |
| H59 | CA6 | H60 | 109.5° | 109.4° |
| H61 | CA7 | H62 | 109.5° | 109.5° |
| H63 | CA8 | H64 | 109.5° | 109.4° |
| H65 | CA9 | H66 | 109.5° | 109.5° |
| H67 | CAA | H68 | 109.5° | 109.4° |
| H69 | CAB | H70 | 109.4° | 109.5° |
| H71 | CAC | H72 | 109.4° | 109.4° |
| H73 | CAD | H74 | 109.5° | 109.5° |
| H75 | CAE | H76 | 109.5° | 109.4° |
| H77 | CAF | H78 | 109.5° | 109.5° |
| H79 | CAG | H80 | 109.5° | 109.5° |
| H79 | CAG | H81 | 109.5° | 109.5° |
| H80 | CAG | H81 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA3 | CA2 | CA1 | H51 | 120.4° | 120.0° |
| CA3 | CA2 | CA1 | H52 | 120.5° | 120.0° |
| CA3 | CA2 | CA1 | OA1 | 80.6° | 180.0° |
| CA2 | CA3 | CA4 | H53 | 120.6° | 120.1° |
| CA2 | CA3 | CA4 | H54 | 120.5° | 120.0° |
| CA3 | CA2 | CA1 | OA2 | 112.0° | 0.1° |
| CA2 | CA3 | CA4 | CA5 | 179.9° | 180.0° |
| CA3 | CA2 | H51 | H52 | 118.7° | 120.0° |
| CA2 | CA3 | H53 | H54 | 118.2° | 120.0° |
| CA2 | CA3 | CA4 | H55 | 59.8° | 59.9° |
| CA2 | CA3 | CA4 | H56 | 59.6° | 60.1° |
| CA2 | CA1 | OA1 | OA2 | 167.2° | 179.9° |
| CA2 | CA1 | OA1 | C9 | 166.4° | 180.0° |
| CA1 | CA2 | CA3 | CA4 | 50.3° | 179.9° |
| CA1 | CA2 | H51 | H52 | 118.6° | 120.0° |
| CA1 | CA2 | CA3 | H53 | 70.3° | 60.0° |
| CA1 | CA2 | CA3 | H54 | 170.8° | 60.0° |
| CA1 | OA1 | C9 | C8 | 63.7° | 180.0° |
| CA1 | OA1 | C9 | H49 | 56.2° | 60.1° |
| CA1 | OA1 | C9 | H50 | 176.4° | 59.9° |
| OA1 | CA1 | CA2 | H51 | 159.0° | 60.0° |
| OA1 | CA1 | CA2 | H52 | 39.9° | 59.9° |
| C9 | OA1 | CA1 | OA2 | 26.4° | 0.1° |
| OA1 | C9 | C8 | H49 | 119.9° | 120.0° |
| OA1 | C9 | C8 | H50 | 119.9° | 120.1° |
| OA1 | C9 | C8 | OB1 | 40.7° | 65.0° |
| OA1 | C9 | C8 | C7 | 164.2° | 55.0° |
| OA1 | C9 | C8 | H33 | 76.8° | 175.0° |
| OA1 | C9 | H49 | H50 | 120.3° | 120.0° |
| CA3 | CA4 | CA5 | H55 | 120.3° | 120.1° |
| CA3 | CA4 | CA5 | H56 | 120.3° | 119.9° |
| CA3 | CA4 | CA5 | CA6 | 152.0° | 180.0° |
| CA4 | CA3 | CA2 | H51 | 70.2° | 59.9° |
| CA4 | CA3 | CA2 | H52 | 170.7° | 60.0° |
| CA4 | CA3 | H53 | H54 | 118.3° | 120.0° |
| CA3 | CA4 | H55 | H56 | 119.1° | 120.0° |
| CA3 | CA4 | CA5 | H57 | 87.5° | 59.9° |
| CA3 | CA4 | CA5 | H58 | 31.4° | 60.0° |
| O3 | C3 | C2 | C4 | 123.2° | 120.0° |
| O3 | C3 | C2 | H38 | 119.3° | 120.0° |
| O3 | C3 | C4 | H38 | 119.5° | 120.0° |
| O3 | C3 | C2 | O2 | 63.6° | 60.0° |
| O3 | C3 | C2 | C1 | 178.3° | 180.0° |
| O3 | C3 | C4 | O4 | 55.4° | 60.0° |
| O3 | C3 | C4 | C5 | 178.9° | 180.0° |
| O3 | C3 | C2 | H37 | 58.4° | 60.0° |
| O3 | C3 | C4 | H39 | 63.5° | 60.0° |
| OB2 | CB1 | OB1 | CB2 | 160.9° | 180.0° |
| OB2 | CB1 | OB1 | C8 | 88.4° | 0.0° |
| OB2 | CB1 | CB2 | CB3 | 15.8° | 0.0° |
| OB2 | CB1 | CB2 | H31 | 104.6° | 120.0° |
| OB2 | CB1 | CB2 | H32 | 136.3° | 120.0° |
| OA2 | CA1 | CA2 | H51 | 8.4° | 120.1° |
| OA2 | CA1 | CA2 | H52 | 127.5° | 120.0° |
| O41 | P4 | O42 | O4 | 119.7° | 120.0° |
| O41 | P4 | O42 | O43 | 120.2° | 120.0° |
| O41 | P4 | O4 | O43 | 120.0° | 120.0° |
| O41 | P4 | O4 | C4 | 75.6° | 55.0° |
| O41 | P4 | O42 | H45 | 0.0° | 60.0° |
| O41 | P4 | O43 | H46 | 0.0° | 180.0° |
| C9 | C8 | OB1 | CB1 | 124.2° | 150.0° |
| C9 | C8 | OB1 | C7 | 125.9° | 120.0° |
| C9 | C8 | OB1 | H33 | 116.8° | 120.0° |
| C9 | C8 | C7 | H33 | 119.0° | 120.1° |
| C9 | C8 | C7 | O13 | 38.4° | 55.0° |
| C9 | C8 | C7 | H34 | 81.7° | 65.0° |
| C9 | C8 | C7 | H35 | 158.4° | 175.0° |
| C8 | C9 | H49 | H50 | 120.3° | 120.0° |
| CB1 | OB1 | C8 | C7 | 1.7° | 90.0° |
| OB1 | CB1 | CB2 | CB3 | 176.8° | 180.0° |
| OB1 | CB1 | CB2 | H31 | 56.4° | 60.0° |
| OB1 | CB1 | CB2 | H32 | 62.8° | 60.0° |
| CB1 | OB1 | C8 | H33 | 118.9° | 30.0° |
| C8 | OB1 | CB1 | CB2 | 110.6° | 180.0° |
| OB1 | C8 | C7 | H33 | 117.9° | 120.0° |
| OB1 | C8 | C7 | O13 | 161.5° | 65.0° |
| OB1 | C8 | C7 | H34 | 41.5° | 175.0° |
| OB1 | C8 | C7 | H35 | 78.5° | 55.0° |
| OB1 | C8 | C9 | H49 | 160.6° | 175.0° |
| OB1 | C8 | C9 | H50 | 79.2° | 55.1° |
| CB1 | CB2 | CB3 | H31 | 120.4° | 120.0° |
| CB1 | CB2 | CB3 | H32 | 120.4° | 120.0° |
| CB1 | CB2 | CB3 | CB4 | 160.5° | 180.0° |
| CB1 | CB2 | CB3 | H29 | 40.1° | 60.0° |
| CB1 | CB2 | CB3 | H30 | 79.0° | 59.9° |
| CB1 | CB2 | H31 | H32 | 118.7° | 120.1° |
| CA4 | CA5 | CA6 | H57 | 120.6° | 120.1° |
| CA4 | CA5 | CA6 | H58 | 120.6° | 119.9° |
| CA4 | CA5 | CA6 | CA7 | 146.6° | 180.0° |
| CA5 | CA4 | CA3 | H53 | 59.3° | 59.9° |
| CA5 | CA4 | CA3 | H54 | 59.6° | 60.0° |
| CA5 | CA4 | H55 | H56 | 119.1° | 120.0° |
| CA4 | CA5 | H57 | H58 | 118.4° | 119.9° |
| CA4 | CA5 | CA6 | H59 | 93.0° | 59.9° |
| CA4 | CA5 | CA6 | H60 | 26.2° | 60.0° |
| CA5 | CA6 | CA7 | H59 | 120.4° | 120.0° |
| CA5 | CA6 | CA7 | H60 | 120.4° | 120.0° |
| CA5 | CA6 | CA7 | CA8 | 169.6° | 180.0° |
| CA6 | CA5 | CA4 | H55 | 31.7° | 59.9° |
| CA6 | CA5 | CA4 | H56 | 87.7° | 60.1° |
| CA6 | CA5 | H57 | H58 | 118.3° | 120.0° |
| CA5 | CA6 | H59 | H60 | 118.9° | 120.0° |
| CA5 | CA6 | CA7 | H61 | 70.0° | 60.0° |
| CA5 | CA6 | CA7 | H62 | 49.1° | 60.1° |
| C2 | C3 | C4 | H38 | 117.7° | 120.0° |
| C3 | C2 | O2 | C1 | 118.2° | 120.0° |
| C3 | C2 | O2 | H37 | 121.0° | 120.0° |
| C3 | C2 | C1 | H37 | 120.0° | 120.1° |
| C2 | C3 | C4 | O4 | 178.2° | 180.0° |
| C2 | C3 | C4 | C5 | 58.2° | 60.0° |
| C3 | C2 | C1 | O1 | 175.0° | 180.0° |
| C3 | C2 | C1 | C6 | 60.6° | 60.0° |
| C3 | C2 | C1 | H36 | 56.3° | 60.0° |
| C2 | C3 | C4 | H39 | 59.3° | 60.0° |
| C3 | C2 | O2 | H42 | 180.0° | 60.0° |
| C2 | C3 | O3 | H43 | 180.0° | 60.0° |
| C3 | C4 | O4 | P4 | 116.3° | 120.0° |
| C4 | C3 | C2 | O2 | 59.7° | 60.0° |
| C4 | C3 | C2 | C1 | 58.5° | 60.0° |
| C3 | C4 | O4 | C5 | 123.0° | 120.0° |
| C3 | C4 | O4 | H39 | 118.1° | 120.0° |
| C3 | C4 | C5 | H39 | 117.5° | 120.0° |
| C3 | C4 | C5 | C6 | 58.3° | 60.1° |
| C3 | C4 | C5 | O5 | 179.7° | 180.0° |
| C4 | C3 | C2 | H37 | 178.4° | 180.0° |
| C3 | C4 | C5 | H40 | 59.2° | 60.0° |
| C4 | C3 | O3 | H43 | 57.3° | 180.0° |
| C8 | C7 | O13 | H34 | 120.0° | 120.0° |
| C8 | C7 | O13 | H35 | 120.0° | 120.0° |
| C8 | C7 | O13 | P1 | 158.6° | 180.0° |
| C8 | C7 | H34 | H35 | 119.9° | 120.0° |
| C7 | C8 | C9 | H49 | 75.9° | 65.0° |
| C7 | C8 | C9 | H50 | 44.3° | 175.0° |
| O42 | P4 | O4 | O43 | 120.2° | 120.0° |
| O42 | P4 | O4 | C4 | 164.5° | 175.0° |
| O42 | P4 | O43 | H46 | 120.2° | 60.0° |
| P4 | O4 | C4 | C5 | 120.7° | 120.0° |
| P4 | O4 | C4 | H39 | 1.8° | 0.0° |
| O4 | P4 | O42 | H45 | 119.7° | 180.0° |
| O4 | P4 | O43 | H46 | 119.7° | 60.0° |
| O43 | P4 | O4 | C4 | 44.4° | 65.0° |
| O43 | P4 | O42 | H45 | 120.2° | 60.1° |
| O2 | C2 | C1 | H37 | 121.9° | 120.0° |
| O2 | C2 | C1 | O1 | 66.9° | 60.0° |
| O2 | C2 | C1 | C6 | 57.5° | 60.0° |
| O2 | C2 | C1 | H36 | 174.5° | 180.0° |
| O2 | C2 | C3 | H38 | 177.2° | 180.0° |
| C2 | C1 | O1 | C6 | 123.2° | 120.0° |
| C2 | C1 | O1 | H36 | 117.9° | 120.0° |
| C2 | C1 | C6 | H36 | 116.9° | 120.0° |
| C2 | C1 | O1 | P1 | 104.2° | 120.0° |
| C2 | C1 | C6 | C5 | 61.5° | 60.0° |
| C2 | C1 | C6 | O6 | 176.2° | 180.0° |
| C1 | C2 | C3 | H38 | 59.0° | 60.0° |
| C2 | C1 | C6 | H41 | 56.2° | 60.0° |
| C1 | C2 | O2 | H42 | 61.8° | 180.0° |
| CB2 | CB3 | CB4 | H29 | 120.5° | 120.0° |
| CB2 | CB3 | CB4 | H30 | 120.5° | 120.0° |
| CB2 | CB3 | CB4 | CB5 | 117.1° | 180.0° |
| CB2 | CB3 | CB4 | H27 | 3.4° | 60.0° |
| CB2 | CB3 | CB4 | H28 | 122.5° | 60.0° |
| CB2 | CB3 | H29 | H30 | 118.6° | 119.9° |
| CB3 | CB2 | H31 | H32 | 118.7° | 119.9° |
| CB3 | CB4 | CB5 | H27 | 120.4° | 120.0° |
| CB3 | CB4 | CB5 | H28 | 120.5° | 119.9° |
| CB3 | CB4 | CB5 | CB6 | 148.9° | 180.0° |
| CB3 | CB4 | CB5 | H25 | 90.5° | 60.0° |
| CB3 | CB4 | CB5 | H26 | 28.3° | 60.0° |
| CB3 | CB4 | H27 | H28 | 118.7° | 120.0° |
| CB4 | CB3 | H29 | H30 | 118.6° | 120.0° |
| CB4 | CB3 | CB2 | H31 | 79.0° | 60.0° |
| CB4 | CB3 | CB2 | H32 | 40.1° | 60.0° |
| O4 | C4 | C5 | H39 | 119.6° | 120.0° |
| O4 | C4 | C5 | C6 | 178.8° | 180.0° |
| O4 | C4 | C5 | O5 | 56.9° | 60.0° |
| O4 | C4 | C3 | H38 | 64.1° | 60.0° |
| O4 | C4 | C5 | H40 | 63.6° | 60.0° |
| C7 | O13 | P1 | O11 | 56.3° | 55.0° |
| C7 | O13 | P1 | O1 | 175.6° | 175.0° |
| C7 | O13 | P1 | O12 | 63.5° | 65.0° |
| O13 | C7 | C8 | H33 | 80.6° | 175.0° |
| O13 | C7 | H34 | H35 | 120.0° | 120.0° |
| O13 | P1 | O1 | C1 | 116.7° | 175.0° |
| O13 | P1 | O11 | O1 | 119.8° | 120.0° |
| O13 | P1 | O11 | O12 | 120.1° | 120.0° |
| O13 | P1 | O1 | O12 | 120.8° | 120.0° |
| O13 | P1 | O12 | H1 | 119.6° | 60.1° |
| P1 | O13 | C7 | H34 | 81.3° | 60.0° |
| P1 | O13 | C7 | H35 | 38.7° | 60.0° |
| C4 | C5 | C6 | C1 | 59.6° | 60.0° |
| C4 | C5 | C6 | O5 | 122.0° | 120.0° |
| C4 | C5 | C6 | H40 | 117.5° | 120.0° |
| C4 | C5 | O5 | H40 | 119.4° | 120.0° |
| C4 | C5 | C6 | O6 | 177.9° | 180.0° |
| C4 | C5 | O5 | P5 | 138.9° | 120.0° |
| C5 | C4 | C3 | H38 | 59.4° | 60.0° |
| C4 | C5 | C6 | H41 | 58.0° | 60.0° |
| CA6 | CA7 | CA8 | H61 | 120.5° | 120.1° |
| CA6 | CA7 | CA8 | H62 | 120.4° | 120.0° |
| CA6 | CA7 | CA8 | CA9 | 153.1° | 180.0° |
| CA7 | CA6 | CA5 | H57 | 26.0° | 59.9° |
| CA7 | CA6 | CA5 | H58 | 92.8° | 60.1° |
| CA7 | CA6 | H59 | H60 | 118.9° | 120.0° |
| CA6 | CA7 | H61 | H62 | 118.7° | 120.0° |
| CA6 | CA7 | CA8 | H63 | 32.7° | 59.9° |
| CA6 | CA7 | CA8 | H64 | 86.5° | 60.0° |
| CB4 | CB5 | CB6 | H25 | 120.6° | 120.0° |
| CB4 | CB5 | CB6 | H26 | 120.6° | 120.0° |
| CB4 | CB5 | CB6 | CB7 | 48.5° | 180.0° |
| CB4 | CB5 | CB6 | H23 | 168.9° | 60.0° |
| CB4 | CB5 | CB6 | H24 | 72.0° | 60.0° |
| CB4 | CB5 | H25 | H26 | 118.3° | 120.0° |
| CB5 | CB4 | H27 | H28 | 118.7° | 120.0° |
| CB5 | CB4 | CB3 | H29 | 122.4° | 59.9° |
| CB5 | CB4 | CB3 | H30 | 3.4° | 60.0° |
| CB5 | CB6 | CB7 | H23 | 120.5° | 120.0° |
| CB5 | CB6 | CB7 | H24 | 120.5° | 120.0° |
| CB5 | CB6 | CB7 | CB8 | 109.1° | 180.0° |
| CB5 | CB6 | CB7 | H21 | 11.3° | 60.0° |
| CB5 | CB6 | CB7 | H22 | 130.4° | 60.0° |
| CB5 | CB6 | H23 | H24 | 118.5° | 120.0° |
| CB6 | CB5 | H25 | H26 | 118.3° | 120.0° |
| CB6 | CB5 | CB4 | H27 | 28.5° | 60.0° |
| CB6 | CB5 | CB4 | H28 | 90.6° | 60.0° |
| CA7 | CA8 | CA9 | H63 | 120.4° | 120.1° |
| CA7 | CA8 | CA9 | H64 | 120.4° | 120.0° |
| CA7 | CA8 | CA9 | CAA | 159.0° | 180.0° |
| CA8 | CA7 | CA6 | H59 | 49.2° | 60.0° |
| CA8 | CA7 | CA6 | H60 | 70.1° | 60.0° |
| CA8 | CA7 | H61 | H62 | 118.6° | 119.9° |
| CA7 | CA8 | H63 | H64 | 118.8° | 120.0° |
| CA7 | CA8 | CA9 | H65 | 38.5° | 60.0° |
| CA7 | CA8 | CA9 | H66 | 80.5° | 60.0° |
| O1 | C1 | C6 | H36 | 119.6° | 120.0° |
| C1 | O1 | P1 | O11 | 2.6° | 55.0° |
| C1 | O1 | P1 | O12 | 122.5° | 65.0° |
| O1 | C1 | C6 | C5 | 175.1° | 180.0° |
| O1 | C1 | C6 | O6 | 52.7° | 60.0° |
| O1 | C1 | C2 | H37 | 55.0° | 60.0° |
| O1 | C1 | C6 | H41 | 67.3° | 60.0° |
| C6 | C1 | O1 | P1 | 132.6° | 120.0° |
| C1 | C6 | C5 | O6 | 122.5° | 120.0° |
| C1 | C6 | C5 | H41 | 117.7° | 120.0° |
| C1 | C6 | C5 | O5 | 178.3° | 180.0° |
| C1 | C6 | O6 | H41 | 119.4° | 120.0° |
| C6 | C1 | C2 | H37 | 179.4° | 179.9° |
| C1 | C6 | C5 | H40 | 57.9° | 60.0° |
| C1 | C6 | O6 | H44 | 180.0° | 60.0° |
| O11 | P1 | O1 | O12 | 119.8° | 120.1° |
| O11 | P1 | O12 | H1 | 0.0° | 180.0° |
| O1 | P1 | O12 | H1 | 119.6° | 59.9° |
| P1 | O1 | C1 | H36 | 13.7° | 0.0° |
| CB6 | CB7 | CB8 | H21 | 120.4° | 120.0° |
| CB6 | CB7 | CB8 | H22 | 120.4° | 120.1° |
| CB6 | CB7 | CB8 | CB9 | 175.7° | 180.0° |
| CB6 | CB7 | CB8 | H19 | 55.3° | 60.1° |
| CB6 | CB7 | CB8 | H20 | 63.9° | 59.9° |
| CB6 | CB7 | H21 | H22 | 118.6° | 120.0° |
| CB7 | CB6 | H23 | H24 | 118.5° | 120.0° |
| CB7 | CB6 | CB5 | H25 | 72.1° | 60.1° |
| CB7 | CB6 | CB5 | H26 | 169.0° | 60.0° |
| C6 | C5 | O5 | H40 | 119.4° | 120.0° |
| C5 | C6 | O6 | H41 | 119.3° | 120.0° |
| C6 | C5 | O5 | P5 | 99.9° | 120.0° |
| C5 | C6 | C1 | H36 | 55.4° | 60.0° |
| C6 | C5 | C4 | H39 | 59.2° | 60.0° |
| C5 | C6 | O6 | H44 | 58.7° | 180.0° |
| O5 | C5 | C6 | O6 | 55.9° | 60.0° |
| C5 | O5 | P5 | O53 | 21.0° | 55.0° |
| C5 | O5 | P5 | O52 | 141.1° | 65.0° |
| C5 | O5 | P5 | O51 | 99.0° | 175.0° |
| O5 | C5 | C4 | H39 | 62.8° | 60.0° |
| O5 | C5 | C6 | H41 | 64.0° | 60.0° |
| CA8 | CA9 | CAA | H65 | 120.5° | 120.0° |
| CA8 | CA9 | CAA | H66 | 120.5° | 120.0° |
| CA8 | CA9 | CAA | CAB | 174.4° | 180.0° |
| CA9 | CA8 | CA7 | H61 | 86.4° | 59.9° |
| CA9 | CA8 | CA7 | H62 | 32.7° | 60.0° |
| CA9 | CA8 | H63 | H64 | 118.8° | 120.0° |
| CA8 | CA9 | H65 | H66 | 118.5° | 120.0° |
| CA8 | CA9 | CAA | H67 | 65.2° | 59.9° |
| CA8 | CA9 | CAA | H68 | 54.1° | 60.0° |
| CA9 | CAA | CAB | H67 | 120.4° | 120.1° |
| CA9 | CAA | CAB | H68 | 120.3° | 120.0° |
| CA9 | CAA | CAB | CAC | 162.0° | 180.0° |
| CAA | CA9 | CA8 | H63 | 80.6° | 60.0° |
| CAA | CA9 | CA8 | H64 | 38.6° | 60.0° |
| CAA | CA9 | H65 | H66 | 118.5° | 120.0° |
| CA9 | CAA | H67 | H68 | 119.0° | 120.0° |
| CA9 | CAA | CAB | H69 | 41.6° | 60.0° |
| CA9 | CAA | CAB | H70 | 77.5° | 60.0° |
| O6 | C6 | C1 | H36 | 66.9° | 60.0° |
| O6 | C6 | C5 | H40 | 64.6° | 60.0° |
| O5 | P5 | O53 | O52 | 120.1° | 120.0° |
| O5 | P5 | O53 | O51 | 120.0° | 120.0° |
| O5 | P5 | O52 | O51 | 120.0° | 120.0° |
| P5 | O5 | C5 | H40 | 19.5° | 0.0° |
| O5 | P5 | O51 | H47 | 120.0° | 179.9° |
| O5 | P5 | O52 | H48 | 120.1° | 60.0° |
| CB7 | CB8 | CB9 | H19 | 120.4° | 119.9° |
| CB7 | CB8 | CB9 | H20 | 120.5° | 120.1° |
| CB7 | CB8 | CB9 | CBA | 157.4° | 179.9° |
| CB7 | CB8 | CB9 | H17 | 82.1° | 60.0° |
| CB7 | CB8 | CB9 | H18 | 36.8° | 59.9° |
| CB7 | CB8 | H19 | H20 | 118.7° | 120.0° |
| CB8 | CB7 | H21 | H22 | 118.7° | 120.0° |
| CB8 | CB7 | CB6 | H23 | 130.4° | 60.1° |
| CB8 | CB7 | CB6 | H24 | 11.4° | 59.9° |
| CAA | CAB | CAC | H69 | 120.4° | 120.0° |
| CAA | CAB | CAC | H70 | 120.5° | 119.9° |
| CAA | CAB | CAC | CAD | 65.1° | 180.0° |
| CAB | CAA | CA9 | H65 | 53.9° | 60.0° |
| CAB | CAA | CA9 | H66 | 65.1° | 60.0° |
| CAB | CAA | H67 | H68 | 118.9° | 119.9° |
| CAA | CAB | H69 | H70 | 118.6° | 119.9° |
| CAA | CAB | CAC | H71 | 174.5° | 59.9° |
| CAA | CAB | CAC | H72 | 55.2° | 60.0° |
| CAB | CAC | CAD | H71 | 120.3° | 120.0° |
| CAB | CAC | CAD | H72 | 120.4° | 120.0° |
| CAB | CAC | CAD | CAE | 150.3° | 180.0° |
| CAC | CAB | CAA | H67 | 77.6° | 59.9° |
| CAC | CAB | CAA | H68 | 41.7° | 60.0° |
| CAC | CAB | H69 | H70 | 118.7° | 120.0° |
| CAB | CAC | H71 | H72 | 119.0° | 120.0° |
| CAB | CAC | CAD | H73 | 89.3° | 60.0° |
| CAB | CAC | CAD | H74 | 29.8° | 60.0° |
| O53 | P5 | O52 | O51 | 119.9° | 120.0° |
| O53 | P5 | O51 | H47 | 0.0° | 59.9° |
| O53 | P5 | O52 | H48 | 0.0° | 180.0° |
| O52 | P5 | O51 | H47 | 120.0° | 60.1° |
| O51 | P5 | O52 | H48 | 119.9° | 60.0° |
| CB8 | CB9 | CBA | H17 | 120.5° | 120.0° |
| CB8 | CB9 | CBA | H18 | 120.5° | 120.0° |
| CB8 | CB9 | CBA | CBB | 45.4° | 180.0° |
| CB8 | CB9 | CBA | H15 | 165.9° | 60.0° |
| CB8 | CB9 | CBA | H16 | 75.1° | 60.0° |
| CB8 | CB9 | H17 | H18 | 118.4° | 120.0° |
| CB9 | CB8 | H19 | H20 | 118.7° | 120.0° |
| CB9 | CB8 | CB7 | H21 | 63.9° | 60.0° |
| CB9 | CB8 | CB7 | H22 | 55.3° | 60.0° |
| CAC | CAD | CAE | H73 | 120.5° | 120.0° |
| CAC | CAD | CAE | H74 | 120.5° | 120.0° |
| CAC | CAD | CAE | CAF | 148.6° | 180.0° |
| CAD | CAC | CAB | H69 | 55.3° | 60.0° |
| CAD | CAC | CAB | H70 | 174.4° | 60.0° |
| CAD | CAC | H71 | H72 | 119.0° | 120.0° |
| CAC | CAD | H73 | H74 | 118.6° | 120.0° |
| CAC | CAD | CAE | H75 | 91.0° | 59.9° |
| CAC | CAD | CAE | H76 | 28.1° | 60.0° |
| CAD | CAE | CAF | H75 | 120.5° | 120.0° |
| CAD | CAE | CAF | H76 | 120.5° | 120.0° |
| CAD | CAE | CAF | CAG | 178.3° | 180.0° |
| CAE | CAD | CAC | H71 | 29.9° | 60.0° |
| CAE | CAD | CAC | H72 | 89.4° | 60.0° |
| CAE | CAD | H73 | H74 | 118.6° | 120.0° |
| CAD | CAE | H75 | H76 | 118.5° | 119.9° |
| CAD | CAE | CAF | H77 | 61.3° | 60.0° |
| CAD | CAE | CAF | H78 | 57.8° | 60.0° |
| CB9 | CBA | CBB | CBC | 113.5° | 180.0° |
| CB9 | CBA | CBB | H15 | 120.5° | 120.0° |
| CB9 | CBA | CBB | H16 | 120.5° | 120.0° |
| CB9 | CBA | CBB | H13 | 126.1° | 59.9° |
| CB9 | CBA | CBB | H14 | 7.0° | 60.0° |
| CB9 | CBA | H15 | H16 | 118.5° | 120.0° |
| CBA | CB9 | H17 | H18 | 118.4° | 120.0° |
| CBA | CB9 | CB8 | H19 | 36.9° | 60.0° |
| CBA | CB9 | CB8 | H20 | 82.2° | 60.0° |
| CBB | CBC | CBD | H11 | 120.5° | 120.0° |
| CBB | CBC | CBD | H12 | 120.5° | 120.0° |
| CBC | CBB | CBA | H13 | 120.4° | 120.1° |
| CBC | CBB | CBA | H14 | 120.5° | 120.0° |
| CBB | CBC | CBD | CBE | 137.7° | NaN° |
| CBB | CBC | CBD | H9 | 102.0° | 59.9° |
| CBB | CBC | CBD | H10 | 17.3° | 60.0° |
| CBB | CBC | H11 | H12 | 118.6° | 120.0° |
| CBC | CBB | H13 | H14 | 118.6° | 120.0° |
| CBC | CBB | CBA | H15 | 126.0° | 60.0° |
| CBC | CBB | CBA | H16 | 7.0° | 60.0° |
| CBD | CBC | CBB | CBA | 141.9° | 180.0° |
| CBC | CBD | CBE | H9 | 120.3° | 120.0° |
| CBC | CBD | CBE | H10 | 120.3° | 120.0° |
| CBC | CBD | CBE | CBF | 119.7° | 180.0° |
| CBC | CBD | CBE | H7 | 0.7° | 60.0° |
| CBC | CBD | CBE | H8 | 119.9° | 60.0° |
| CBC | CBD | H9 | H10 | 119.0° | 120.0° |
| CBD | CBC | H11 | H12 | 118.6° | 120.0° |
| CBD | CBC | CBB | H13 | 21.4° | 60.0° |
| CBD | CBC | CBB | H14 | 97.7° | 60.0° |
| CBA | CBB | CBC | H11 | 21.4° | 60.0° |
| CBA | CBB | CBC | H12 | 97.7° | 60.0° |
| CBA | CBB | H13 | H14 | 118.6° | 120.0° |
| CBB | CBA | H15 | H16 | 118.4° | 120.0° |
| CBB | CBA | CB9 | H17 | 75.1° | 60.0° |
| CBB | CBA | CB9 | H18 | 165.9° | 60.0° |
| CBD | CBE | CBF | H7 | 120.3° | 120.0° |
| CBD | CBE | CBF | H8 | 120.4° | 119.9° |
| CBD | CBE | CBF | CBG | 118.8° | 180.0° |
| CBD | CBE | CBF | H5 | 120.9° | 59.9° |
| CBD | CBE | CBF | H6 | 1.5° | 60.0° |
| CBD | CBE | H7 | H8 | 118.9° | 120.0° |
| CBE | CBD | H9 | H10 | 119.0° | 120.0° |
| CBE | CBD | CBC | H11 | 17.2° | 60.0° |
| CBE | CBD | CBC | H12 | 101.9° | 60.0° |
| CAE | CAF | CAG | H77 | 120.4° | 120.0° |
| CAE | CAF | CAG | H78 | 120.4° | 120.0° |
| CAF | CAE | CAD | H73 | 28.1° | 60.0° |
| CAF | CAE | CAD | H74 | 90.9° | 60.0° |
| CAF | CAE | H75 | H76 | 118.5° | 120.0° |
| CAE | CAF | H77 | H78 | 118.6° | 120.0° |
| CAE | CAF | CAG | H79 | 180.0° | 59.9° |
| CAE | CAF | CAG | H80 | 60.0° | 60.1° |
| CAE | CAF | CAG | H81 | 60.0° | 180.0° |
| CBE | CBF | CBG | H5 | 120.3° | 120.0° |
| CBE | CBF | CBG | H6 | 120.3° | 120.0° |
| CBE | CBF | CBG | H2 | 180.0° | 60.0° |
| CBE | CBF | CBG | H3 | 60.0° | 180.0° |
| CBE | CBF | CBG | H4 | 60.0° | 60.0° |
| CBE | CBF | H5 | H6 | 119.1° | 119.9° |
| CBF | CBE | H7 | H8 | 118.9° | 120.0° |
| CBF | CBE | CBD | H9 | 120.0° | 60.0° |
| CBF | CBE | CBD | H10 | 0.6° | 60.0° |
| CAG | CAF | CAE | H75 | 57.8° | 59.9° |
| CAG | CAF | CAE | H76 | 61.2° | 60.0° |
| CAG | CAF | H77 | H78 | 118.7° | 120.0° |
| CAF | CAG | H79 | H80 | 120.0° | 120.0° |
| CAF | CAG | H79 | H81 | 120.0° | 120.0° |
| CAF | CAG | H80 | H81 | 120.0° | 120.0° |
| CBF | CBG | H2 | H3 | 120.0° | 120.0° |
| CBF | CBG | H2 | H4 | 120.0° | 120.0° |
| CBF | CBG | H3 | H4 | 120.0° | 120.0° |
| CBG | CBF | H5 | H6 | 119.1° | 120.0° |
| CBG | CBF | CBE | H7 | 1.6° | 60.0° |
| CBG | CBF | CBE | H8 | 120.8° | 60.0° |
| H2 | CBG | H3 | H4 | 120.0° | 120.0° |
| H2 | CBG | CBF | H5 | 59.7° | 180.0° |
| H2 | CBG | CBF | H6 | 59.7° | 60.0° |
| H3 | CBG | CBF | H5 | 179.7° | 60.0° |
| H3 | CBG | CBF | H6 | 60.3° | 60.0° |
| H4 | CBG | CBF | H5 | 60.3° | 60.0° |
| H4 | CBG | CBF | H6 | 179.7° | 180.0° |
| H5 | CBF | CBE | H7 | 118.7° | 179.9° |
| H5 | CBF | CBE | H8 | 0.5° | 60.0° |
| H6 | CBF | CBE | H7 | 121.8° | 60.0° |
| H6 | CBF | CBE | H8 | 118.9° | 180.0° |
| H7 | CBE | CBD | H9 | 119.7° | 180.0° |
| H7 | CBE | CBD | H10 | 121.0° | 60.0° |
| H8 | CBE | CBD | H9 | 0.4° | 60.0° |
| H8 | CBE | CBD | H10 | 119.8° | 180.0° |
| H9 | CBD | CBC | H11 | 137.6° | 180.0° |
| H9 | CBD | CBC | H12 | 18.5° | 60.1° |
| H10 | CBD | CBC | H11 | 103.1° | 60.0° |
| H10 | CBD | CBC | H12 | 137.8° | 180.0° |
| H11 | CBC | CBB | H13 | 99.0° | 179.9° |
| H11 | CBC | CBB | H14 | 141.9° | 60.0° |
| H12 | CBC | CBB | H13 | 141.9° | 60.1° |
| H12 | CBC | CBB | H14 | 22.8° | NaN° |
| H13 | CBB | CBA | H15 | 5.5° | 179.9° |
| H13 | CBB | CBA | H16 | 113.4° | 60.1° |
| H14 | CBB | CBA | H15 | 113.5° | 60.0° |
| H14 | CBB | CBA | H16 | 127.5° | 180.0° |
| H15 | CBA | CB9 | H17 | 45.4° | 180.0° |
| H15 | CBA | CB9 | H18 | 73.5° | 60.0° |
| H16 | CBA | CB9 | H17 | 164.4° | 60.0° |
| H16 | CBA | CB9 | H18 | 45.5° | 180.0° |
| H17 | CB9 | CB8 | H19 | 157.5° | 179.9° |
| H17 | CB9 | CB8 | H20 | 38.3° | 60.1° |
| H18 | CB9 | CB8 | H19 | 83.6° | 60.0° |
| H18 | CB9 | CB8 | H20 | 157.3° | NaN° |
| H19 | CB8 | CB7 | H21 | 175.7° | 180.0° |
| H19 | CB8 | CB7 | H22 | 65.2° | 60.0° |
| H20 | CB8 | CB7 | H21 | 56.6° | 60.0° |
| H20 | CB8 | CB7 | H22 | 175.7° | NaN° |
| H21 | CB7 | CB6 | H23 | 109.2° | 180.0° |
| H21 | CB7 | CB6 | H24 | 131.8° | 60.0° |
| H22 | CB7 | CB6 | H23 | 9.9° | 60.0° |
| H22 | CB7 | CB6 | H24 | 109.1° | 180.0° |
| H23 | CB6 | CB5 | H25 | 48.4° | 180.0° |
| H23 | CB6 | CB5 | H26 | 70.5° | 60.0° |
| H24 | CB6 | CB5 | H25 | 167.4° | 60.0° |
| H24 | CB6 | CB5 | H26 | 48.5° | 180.0° |
| H25 | CB5 | CB4 | H27 | 149.0° | NaN° |
| H25 | CB5 | CB4 | H28 | 29.9° | 59.9° |
| H26 | CB5 | CB4 | H27 | 92.1° | 60.0° |
| H26 | CB5 | CB4 | H28 | 148.8° | 180.0° |
| H27 | CB4 | CB3 | H29 | 117.1° | 179.9° |
| H27 | CB4 | CB3 | H30 | 123.8° | 60.0° |
| H28 | CB4 | CB3 | H29 | 2.0° | 60.0° |
| H28 | CB4 | CB3 | H30 | 117.1° | 179.9° |
| H29 | CB3 | CB2 | H31 | 160.5° | 180.0° |
| H29 | CB3 | CB2 | H32 | 80.4° | 60.1° |
| H30 | CB3 | CB2 | H31 | 41.4° | 60.1° |
| H30 | CB3 | CB2 | H32 | 160.6° | 180.0° |
| H33 | C8 | C7 | H34 | 159.4° | 55.0° |
| H33 | C8 | C7 | H35 | 39.4° | 65.0° |
| H33 | C8 | C9 | H49 | 43.1° | 55.0° |
| H33 | C8 | C9 | H50 | 163.3° | 64.9° |
| H36 | C1 | C2 | H37 | 63.6° | 60.1° |
| H36 | C1 | C6 | H41 | 173.1° | 180.0° |
| H37 | C2 | C3 | H38 | 60.9° | 60.0° |
| H37 | C2 | O2 | H42 | 59.0° | 60.0° |
| H38 | C3 | C4 | H39 | 177.0° | 180.0° |
| H38 | C3 | O3 | H43 | 61.4° | 60.0° |
| H39 | C4 | C5 | H40 | 176.7° | 180.0° |
| H40 | C5 | C6 | H41 | 175.5° | 180.0° |
| H41 | C6 | O6 | H44 | 60.6° | 60.0° |
| H51 | CA2 | CA3 | H53 | 169.2° | 180.0° |
| H51 | CA2 | CA3 | H54 | 50.4° | 60.0° |
| H52 | CA2 | CA3 | H53 | 50.1° | 60.0° |
| H52 | CA2 | CA3 | H54 | 68.7° | 180.0° |
| H53 | CA3 | CA4 | H55 | 179.6° | 180.0° |
| H53 | CA3 | CA4 | H56 | 61.0° | 60.0° |
| H54 | CA3 | CA4 | H55 | 60.8° | 60.0° |
| H54 | CA3 | CA4 | H56 | 179.9° | 179.9° |
| H55 | CA4 | CA5 | H57 | 152.2° | 179.9° |
| H55 | CA4 | CA5 | H58 | 88.9° | 60.0° |
| H56 | CA4 | CA5 | H57 | 32.8° | 60.0° |
| H56 | CA4 | CA5 | H58 | 151.7° | 179.9° |
| H57 | CA5 | CA6 | H59 | 146.4° | 180.0° |
| H57 | CA5 | CA6 | H60 | 94.3° | 60.0° |
| H58 | CA5 | CA6 | H59 | 27.5° | 60.0° |
| H58 | CA5 | CA6 | H60 | 146.8° | 180.0° |
| H59 | CA6 | CA7 | H61 | 169.6° | NaN° |
| H59 | CA6 | CA7 | H62 | 71.2° | 59.9° |
| H60 | CA6 | CA7 | H61 | 50.4° | 60.0° |
| H60 | CA6 | CA7 | H62 | 169.5° | 179.9° |
| H61 | CA7 | CA8 | H63 | 153.2° | 180.0° |
| H61 | CA7 | CA8 | H64 | 34.0° | 60.1° |
| H62 | CA7 | CA8 | H63 | 87.7° | 60.0° |
| H62 | CA7 | CA8 | H64 | 153.1° | 180.0° |
| H63 | CA8 | CA9 | H65 | 158.9° | 180.0° |
| H63 | CA8 | CA9 | H66 | 39.9° | 60.0° |
| H64 | CA8 | CA9 | H65 | 81.9° | 60.0° |
| H64 | CA8 | CA9 | H66 | 159.1° | NaN° |
| H65 | CA9 | CAA | H67 | 174.3° | 179.9° |
| H65 | CA9 | CAA | H68 | 66.4° | 60.0° |
| H66 | CA9 | CAA | H67 | 55.2° | 60.1° |
| H66 | CA9 | CAA | H68 | 174.6° | 180.0° |
| H67 | CAA | CAB | H69 | 161.9° | 180.0° |
| H67 | CAA | CAB | H70 | 42.9° | 60.1° |
| H68 | CAA | CAB | H69 | 78.8° | 60.0° |
| H68 | CAA | CAB | H70 | 162.2° | 180.0° |
| H69 | CAB | CAC | H71 | 65.0° | 179.9° |
| H69 | CAB | CAC | H72 | 175.7° | 60.0° |
| H70 | CAB | CAC | H71 | 54.1° | 60.0° |
| H70 | CAB | CAC | H72 | 65.2° | 180.0° |
| H71 | CAC | CAD | H73 | 150.4° | 180.0° |
| H71 | CAC | CAD | H74 | 90.5° | 60.0° |
| H72 | CAC | CAD | H73 | 31.1° | 60.0° |
| H72 | CAC | CAD | H74 | 150.2° | 180.0° |
| H73 | CAD | CAE | H75 | 148.6° | 179.9° |
| H73 | CAD | CAE | H76 | 92.4° | 60.0° |
| H74 | CAD | CAE | H75 | 29.5° | 60.1° |
| H74 | CAD | CAE | H76 | 148.6° | 180.0° |
| H75 | CAE | CAF | H77 | 178.2° | 180.0° |
| H75 | CAE | CAF | H78 | 62.6° | 60.0° |
| H76 | CAE | CAF | H77 | 59.2° | 60.0° |
| H76 | CAE | CAF | H78 | 178.3° | 180.0° |
| H77 | CAF | CAG | H79 | 59.6° | 180.0° |
| H77 | CAF | CAG | H80 | 179.6° | 60.0° |
| H77 | CAF | CAG | H81 | 60.5° | 60.0° |
| H78 | CAF | CAG | H79 | 59.6° | 60.0° |
| H78 | CAF | CAG | H80 | 60.4° | 180.0° |
| H78 | CAF | CAG | H81 | 179.6° | 60.0° |
| H79 | CAG | H80 | H81 | 120.0° | 120.0° |
