05M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C33 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C35 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | P22 | sing | 1.87Å | 1.84Å | |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | P22 | sing | 1.87Å | 1.85Å | |
| P22 | C21 | sing | 1.87Å | 1.86Å | |
| P22 | C23 | sing | 1.87Å | 1.86Å | |
| C40 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C40 | C39 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C13 | sing | 1.53Å | 1.54Å | |
| C10 | C05 | sing | 1.51Å | 1.52Å | |
| O09 | C04 | doub | 1.21Å | 1.22Å | |
| C39 | C38 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C42 | O08 | sing | 1.43Å | 1.42Å | |
| C05 | C04 | sing | 1.48Å | 1.41Å | |
| C05 | C06 | doub | 1.34Å | 1.40Å | |
| C04 | C03 | sing | 1.48Å | 1.40Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C12 | C06 | sing | 1.51Å | 1.56Å | |
| C06 | C01 | sing | 1.48Å | 1.40Å | |
| C38 | C37 | sing | 1.38Å | 1.40Å | Aromatic |
| C03 | O08 | sing | 1.36Å | 1.43Å | |
| C03 | C02 | doub | 1.35Å | 1.40Å | |
| C01 | C02 | sing | 1.48Å | 1.40Å | |
| C01 | O11 | doub | 1.22Å | 1.22Å | |
| C02 | O07 | sing | 1.36Å | 1.41Å | |
| O07 | C41 | sing | 1.43Å | 1.42Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.08Å | 1.08Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.08Å | 1.08Å | |
| C29 | H17 | sing | 1.08Å | 1.08Å | |
| C30 | H18 | sing | 1.08Å | 1.08Å | |
| C31 | H19 | sing | 1.08Å | 1.08Å | |
| C32 | H20 | sing | 1.08Å | 1.08Å | |
| C33 | H21 | sing | 1.08Å | 1.08Å | |
| C34 | H22 | sing | 1.08Å | 1.08Å | |
| C35 | H23 | sing | 1.08Å | 1.08Å | |
| C36 | H24 | sing | 1.08Å | 1.08Å | |
| C37 | H25 | sing | 1.08Å | 1.08Å | |
| C38 | H26 | sing | 1.08Å | 1.08Å | |
| C39 | H27 | sing | 1.08Å | 1.08Å | |
| C40 | H28 | sing | 1.08Å | 1.08Å | |
| C41 | H29 | sing | 1.09Å | 1.10Å | |
| C41 | H30 | sing | 1.09Å | 1.10Å | |
| C41 | H31 | sing | 1.09Å | 1.10Å | |
| C42 | H32 | sing | 1.09Å | 1.10Å | |
| C42 | H33 | sing | 1.09Å | 1.10Å | |
| C42 | H34 | sing | 1.09Å | 1.10Å | |
| C14 | C1 | sing | 1.53Å | 157.67Å | |
| C1 | C2 | sing | 1.53Å | 0.00Å | |
| C2 | C3 | sing | 1.53Å | 0.00Å | |
| C3 | C4 | sing | 1.53Å | 0.00Å | |
| C4 | C5 | sing | 1.53Å | 0.00Å | |
| C5 | C6 | sing | 1.53Å | 0.00Å | |
| C21 | C6 | sing | 1.53Å | 156.99Å | |
| P22 | H8 | sing | 1.47Å | 155.37Å | |
| C1 | H15 | sing | 1.09Å | 0.00Å | |
| C1 | H35 | sing | 1.09Å | 0.00Å | |
| C2 | H36 | sing | 1.09Å | 0.00Å | |
| C2 | H37 | sing | 1.09Å | 0.00Å | |
| C3 | H38 | sing | 1.09Å | 0.00Å | |
| C3 | H39 | sing | 1.09Å | 0.00Å | |
| C4 | H40 | sing | 1.09Å | 0.00Å | |
| C4 | H41 | sing | 1.09Å | 0.00Å | |
| C5 | H42 | sing | 1.09Å | 0.00Å | |
| C5 | H43 | sing | 1.09Å | 0.00Å | |
| C6 | H44 | sing | 1.09Å | 0.00Å | |
| C6 | H45 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C33 | C34 | 120.6° | 120.0° |
| C33 | C32 | C31 | 120.5° | 120.0° |
| C33 | C32 | H20 | 119.8° | 120.0° |
| C32 | C33 | H21 | 119.7° | 120.0° |
| C33 | C34 | C35 | 118.9° | 120.0° |
| C34 | C33 | H21 | 119.7° | 120.0° |
| C33 | C34 | H22 | 120.6° | 120.0° |
| C32 | C31 | C25 | 118.7° | 120.0° |
| C32 | C31 | H19 | 120.6° | 120.0° |
| C31 | C32 | H20 | 119.8° | 120.0° |
| C34 | C35 | C25 | 120.8° | 120.0° |
| C35 | C34 | H22 | 120.5° | 120.0° |
| C34 | C35 | H23 | 119.6° | 120.0° |
| C31 | C25 | C35 | 120.6° | 120.0° |
| C31 | C25 | P22 | 122.3° | 120.0° |
| C25 | C31 | H19 | 120.6° | 120.0° |
| C28 | C27 | C26 | 119.8° | 120.0° |
| C27 | C28 | C29 | 120.1° | 120.0° |
| C27 | C28 | H10 | 119.9° | 120.0° |
| C28 | C27 | H16 | 120.1° | 120.0° |
| C27 | C26 | C24 | 120.0° | 120.0° |
| C27 | C26 | H9 | 120.0° | 120.0° |
| C26 | C27 | H16 | 120.1° | 120.0° |
| C28 | C29 | C30 | 120.2° | 120.0° |
| C29 | C28 | H10 | 120.0° | 120.0° |
| C28 | C29 | H17 | 119.9° | 120.0° |
| C35 | C25 | P22 | 117.1° | 120.0° |
| C25 | C35 | H23 | 119.6° | 120.0° |
| C26 | C24 | C30 | 120.1° | 120.0° |
| C26 | C24 | P22 | 120.2° | 120.0° |
| C24 | C26 | H9 | 120.0° | 120.0° |
| C25 | P22 | C24 | 97.5° | 120.0° |
| C25 | P22 | C21 | 112.6° | 90.0° |
| C25 | P22 | C23 | 102.7° | 120.0° |
| C25 | P22 | H8 | 47.1° | 90.0° |
| C29 | C30 | C24 | 119.9° | 120.0° |
| C30 | C29 | H17 | 119.9° | 120.0° |
| C29 | C30 | H18 | 120.1° | 120.0° |
| C30 | C24 | P22 | 119.7° | 120.0° |
| C24 | C30 | H18 | 120.1° | 120.0° |
| C24 | P22 | C21 | 110.1° | 90.0° |
| C24 | P22 | C23 | 124.7° | 120.0° |
| C24 | P22 | H8 | 61.8° | 90.0° |
| C21 | P22 | C23 | 108.4° | 90.0° |
| P22 | C21 | H6 | 124.0° | 109.5° |
| P22 | C21 | H7 | 124.0° | 109.4° |
| P22 | C21 | C6 | 28.7° | 109.5° |
| C21 | P22 | H8 | 150.9° | 180.0° |
| P22 | C23 | C40 | 120.4° | 119.9° |
| P22 | C23 | C36 | 120.1° | 120.0° |
| C23 | P22 | H8 | 97.7° | 90.0° |
| C23 | C40 | C39 | 120.5° | 119.9° |
| C40 | C23 | C36 | 119.5° | 120.0° |
| C23 | C40 | H28 | 119.8° | 120.1° |
| C40 | C39 | C38 | 119.8° | 120.0° |
| C40 | C39 | H27 | 120.1° | 119.9° |
| C39 | C40 | H28 | 119.7° | 120.0° |
| C23 | C36 | C37 | 120.2° | 120.0° |
| C23 | C36 | H24 | 119.9° | 120.0° |
| C14 | C13 | C12 | 113.6° | 109.5° |
| C14 | C13 | H4 | 108.4° | 109.5° |
| C14 | C13 | H5 | 108.5° | 109.5° |
| C13 | C14 | H13 | 107.4° | 109.4° |
| C13 | C14 | H14 | 107.4° | 109.5° |
| C13 | C14 | C1 | 117.7° | 109.5° |
| C10 | C05 | C04 | 121.9° | 119.9° |
| C10 | C05 | C06 | 116.2° | 119.9° |
| C05 | C10 | H1 | 109.5° | 109.5° |
| C05 | C10 | H2 | 109.5° | 109.5° |
| C05 | C10 | H3 | 109.5° | 109.4° |
| O09 | C04 | C05 | 121.3° | 120.0° |
| O09 | C04 | C03 | 119.5° | 120.0° |
| C39 | C38 | C37 | 120.1° | 120.0° |
| C39 | C38 | H26 | 120.0° | 119.9° |
| C38 | C39 | H27 | 120.1° | 120.1° |
| C36 | C37 | C38 | 120.0° | 120.0° |
| C37 | C36 | H24 | 119.9° | 120.0° |
| C36 | C37 | H25 | 120.0° | 120.0° |
| C42 | O08 | C03 | 117.7° | 117.0° |
| O08 | C42 | H32 | 109.5° | 109.5° |
| O08 | C42 | H33 | 109.5° | 109.5° |
| O08 | C42 | H34 | 109.5° | 109.5° |
| C04 | C05 | C06 | 121.9° | 120.1° |
| C05 | C04 | C03 | 119.2° | 120.0° |
| C05 | C06 | C12 | 117.2° | 119.9° |
| C05 | C06 | C01 | 118.6° | 120.1° |
| C04 | C03 | O08 | 121.6° | 120.0° |
| C04 | C03 | C02 | 118.9° | 119.9° |
| C13 | C12 | C06 | 118.5° | 109.5° |
| C12 | C13 | H4 | 108.4° | 109.4° |
| C12 | C13 | H5 | 108.4° | 109.4° |
| C13 | C12 | H11 | 107.2° | 109.4° |
| C13 | C12 | H12 | 107.2° | 109.4° |
| C12 | C06 | C01 | 124.2° | 120.0° |
| C06 | C12 | H11 | 107.2° | 109.5° |
| C06 | C12 | H12 | 107.2° | 109.5° |
| C06 | C01 | C02 | 119.7° | 120.0° |
| C06 | C01 | O11 | 122.0° | 120.0° |
| C38 | C37 | H25 | 120.0° | 120.0° |
| C37 | C38 | H26 | 119.9° | 120.0° |
| O08 | C03 | C02 | 119.4° | 120.1° |
| C03 | C02 | C01 | 121.7° | 119.9° |
| C03 | C02 | O07 | 119.6° | 120.1° |
| C02 | C01 | O11 | 118.4° | 120.0° |
| C01 | C02 | O07 | 118.7° | 120.1° |
| C02 | O07 | C41 | 112.8° | 117.0° |
| O07 | C41 | H29 | 109.5° | 109.5° |
| O07 | C41 | H30 | 109.5° | 109.5° |
| O07 | C41 | H31 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H1 | C10 | H3 | 109.5° | 109.5° |
| H2 | C10 | H3 | 109.4° | 109.5° |
| H4 | C13 | H5 | 109.4° | 109.4° |
| H6 | C21 | H7 | 109.5° | 109.4° |
| H6 | C21 | C6 | 124.0° | 109.5° |
| H7 | C21 | C6 | 124.0° | 109.5° |
| H11 | C12 | H12 | 109.4° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H13 | C14 | C1 | 107.4° | 109.5° |
| H14 | C14 | C1 | 107.4° | 109.5° |
| H29 | C41 | H30 | 109.5° | 109.4° |
| H29 | C41 | H31 | 109.4° | 109.5° |
| H30 | C41 | H31 | 109.5° | 109.4° |
| H32 | C42 | H33 | 109.4° | 109.4° |
| H32 | C42 | H34 | 109.5° | 109.5° |
| H33 | C42 | H34 | 109.5° | 109.4° |
| C14 | C1 | C2 | 90.0° | 109.5° |
| C14 | C1 | H15 | 90.0° | 109.5° |
| C14 | C1 | H35 | 90.0° | 109.5° |
| C1 | C2 | C3 | 90.0° | 109.5° |
| C2 | C1 | H15 | 90.0° | 109.5° |
| C2 | C1 | H35 | 90.0° | 109.5° |
| C1 | C2 | H36 | 90.0° | 109.4° |
| C1 | C2 | H37 | 90.0° | 109.5° |
| C2 | C3 | C4 | 90.0° | 109.5° |
| C3 | C2 | H36 | 90.0° | 109.5° |
| C3 | C2 | H37 | 90.0° | 109.5° |
| C2 | C3 | H38 | 90.0° | 109.5° |
| C2 | C3 | H39 | 90.0° | 109.5° |
| C3 | C4 | C5 | 90.0° | 109.5° |
| C4 | C3 | H38 | 90.0° | 109.5° |
| C4 | C3 | H39 | 90.0° | 109.5° |
| C3 | C4 | H40 | 90.0° | 109.4° |
| C3 | C4 | H41 | 90.0° | 109.5° |
| C4 | C5 | C6 | 90.0° | 109.5° |
| C5 | C4 | H40 | 90.0° | 109.5° |
| C5 | C4 | H41 | 90.0° | 109.5° |
| C4 | C5 | H42 | 90.0° | 109.5° |
| C4 | C5 | H43 | 90.0° | 109.5° |
| C5 | C6 | C21 | 90.0° | 109.5° |
| C6 | C5 | H42 | 90.0° | 109.5° |
| C6 | C5 | H43 | 90.0° | 109.5° |
| C5 | C6 | H44 | 90.0° | 109.5° |
| C5 | C6 | H45 | 90.0° | 109.4° |
| C21 | C6 | H44 | 90.0° | 109.5° |
| C21 | C6 | H45 | 90.0° | 109.5° |
| H15 | C1 | H35 | 90.0° | 109.4° |
| H36 | C2 | H37 | 90.0° | 109.5° |
| H38 | C3 | H39 | 90.0° | 109.4° |
| H40 | C4 | H41 | 90.0° | 109.5° |
| H42 | C5 | H43 | 90.0° | 109.4° |
| H44 | C6 | H45 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C33 | C34 | H21 | 180.0° | 179.9° |
| C33 | C32 | C31 | H20 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.2° | 0.2° |
| C33 | C32 | C31 | C25 | 0.4° | 0.1° |
| C33 | C32 | C31 | H19 | 179.6° | 179.9° |
| C32 | C33 | C34 | H22 | 179.9° | 180.0° |
| C34 | C33 | C32 | C31 | 0.1° | 0.1° |
| C33 | C34 | C35 | H22 | 180.0° | 179.8° |
| C33 | C34 | C35 | C25 | 0.6° | 0.5° |
| C34 | C33 | C32 | H20 | 180.0° | 180.0° |
| C33 | C34 | C35 | H23 | 179.3° | 180.0° |
| C32 | C31 | C25 | H19 | 180.0° | 180.0° |
| C32 | C31 | C25 | C35 | 0.9° | 0.3° |
| C32 | C31 | C25 | P22 | 179.5° | 180.0° |
| C31 | C32 | C33 | H21 | 179.9° | 179.9° |
| C34 | C35 | C25 | C31 | 1.0° | 0.6° |
| C34 | C35 | C25 | H23 | 180.0° | 179.5° |
| C34 | C35 | C25 | P22 | 179.7° | 179.7° |
| C35 | C34 | C33 | H21 | 179.8° | 179.8° |
| C31 | C25 | C35 | P22 | 178.7° | 179.7° |
| C31 | C25 | P22 | C24 | 102.5° | 90.0° |
| C31 | C25 | P22 | C21 | 13.0° | 180.0° |
| C31 | C25 | P22 | C23 | 129.4° | 90.0° |
| C25 | C31 | C32 | H20 | 179.6° | 179.9° |
| C31 | C25 | C35 | H23 | 179.0° | 179.9° |
| C31 | C25 | P22 | H8 | 141.9° | 0.0° |
| C28 | C27 | C26 | H16 | 180.0° | 180.0° |
| C27 | C28 | C29 | H10 | 180.0° | 179.4° |
| C28 | C27 | C26 | C24 | 1.0° | 0.1° |
| C27 | C28 | C29 | C30 | 0.0° | 0.6° |
| C28 | C27 | C26 | H9 | 179.0° | 180.0° |
| C27 | C28 | C29 | H17 | 180.0° | 179.5° |
| C26 | C27 | C28 | C29 | 0.1° | 0.3° |
| C27 | C26 | C24 | H9 | 180.0° | 179.9° |
| C27 | C26 | C24 | C30 | 1.8° | 0.1° |
| C27 | C26 | C24 | P22 | 179.1° | 179.7° |
| C26 | C27 | C28 | H10 | 179.9° | 179.8° |
| C28 | C29 | C30 | H17 | 180.0° | 179.9° |
| C28 | C29 | C30 | C24 | 0.8° | 0.6° |
| C29 | C28 | C27 | H16 | 179.9° | 179.7° |
| C28 | C29 | C30 | H18 | 179.2° | 179.4° |
| C35 | C25 | P22 | C24 | 76.2° | 89.7° |
| C35 | C25 | P22 | C21 | 168.4° | 0.3° |
| C35 | C25 | P22 | C23 | 52.0° | 90.3° |
| C35 | C25 | C31 | H19 | 179.1° | 179.7° |
| C25 | C35 | C34 | H22 | 179.4° | 179.7° |
| C35 | C25 | P22 | H8 | 36.7° | 179.7° |
| C26 | C24 | P22 | C25 | 84.8° | 65.0° |
| C26 | C24 | C30 | C29 | 1.7° | 0.4° |
| C26 | C24 | C30 | P22 | 177.3° | 179.7° |
| C26 | C24 | P22 | C21 | 32.6° | 25.0° |
| C26 | C24 | P22 | C23 | 164.1° | 115.0° |
| C24 | C26 | C27 | H16 | 179.0° | 180.0° |
| C26 | C24 | C30 | H18 | 178.3° | 179.7° |
| C26 | C24 | P22 | H8 | 116.7° | 155.0° |
| C25 | P22 | C24 | C30 | 92.5° | 114.7° |
| C25 | P22 | C24 | C21 | 117.4° | 90.0° |
| C25 | P22 | C24 | C23 | 111.1° | 180.0° |
| C25 | P22 | C24 | H8 | 31.9° | 90.0° |
| C25 | P22 | C21 | C23 | 112.9° | 120.0° |
| C25 | P22 | C21 | H8 | 39.8° | 155.1° |
| C25 | P22 | C23 | H8 | 47.6° | 90.0° |
| C25 | P22 | C23 | C40 | 70.5° | 88.1° |
| C25 | P22 | C23 | C36 | 107.9° | 91.7° |
| C25 | P22 | C21 | H6 | 139.7° | 65.8° |
| C25 | P22 | C21 | H7 | 60.2° | 54.1° |
| P22 | C25 | C31 | H19 | 0.5° | 0.0° |
| P22 | C25 | C35 | H23 | 0.3° | 0.2° |
| C25 | P22 | C21 | C6 | 39.8° | 174.2° |
| C29 | C30 | C24 | H18 | 180.0° | 180.0° |
| C29 | C30 | C24 | P22 | 179.0° | 180.0° |
| C30 | C29 | C28 | H10 | 180.0° | 180.0° |
| C30 | C24 | P22 | C21 | 150.1° | 155.3° |
| C30 | C24 | P22 | C23 | 18.6° | 65.3° |
| C30 | C24 | C26 | H9 | 178.2° | 180.0° |
| C24 | C30 | C29 | H17 | 179.2° | 179.5° |
| C30 | C24 | P22 | H8 | 60.6° | 24.7° |
| C24 | P22 | C21 | C23 | 139.5° | 120.0° |
| C24 | P22 | C21 | H8 | 67.8° | 35.1° |
| C24 | P22 | C23 | H8 | 60.9° | 90.0° |
| C24 | P22 | C23 | C40 | 38.0° | 92.0° |
| C24 | P22 | C23 | C36 | 143.5° | 88.3° |
| C24 | P22 | C21 | H6 | 32.1° | 174.2° |
| C24 | P22 | C21 | H7 | 167.8° | 65.9° |
| P22 | C24 | C26 | H9 | 0.9° | 0.3° |
| P22 | C24 | C30 | H18 | 1.0° | 0.0° |
| C24 | P22 | C21 | C6 | 67.8° | 54.1° |
| C21 | P22 | C23 | H8 | 167.0° | 180.0° |
| C21 | P22 | C23 | C40 | 170.1° | 2.0° |
| C21 | P22 | C23 | C36 | 11.4° | 178.3° |
| P22 | C21 | H6 | H7 | 162.6° | 119.9° |
| P22 | C21 | H6 | C6 | 34.8° | 120.0° |
| P22 | C21 | H7 | C6 | 34.9° | 120.0° |
| P22 | C21 | C6 | C5 | 90.0° | 173.6° |
| P22 | C21 | C6 | H44 | 90.0° | 53.6° |
| P22 | C21 | C6 | H45 | 90.0° | 66.4° |
| P22 | C23 | C40 | C36 | 178.5° | 179.7° |
| P22 | C23 | C40 | C39 | 179.0° | 179.7° |
| P22 | C23 | C36 | C37 | 179.3° | 179.7° |
| C23 | P22 | C21 | H6 | 107.4° | 54.2° |
| C23 | P22 | C21 | H7 | 52.7° | 174.1° |
| P22 | C23 | C36 | H24 | 0.7° | 0.3° |
| P22 | C23 | C40 | H28 | 1.0° | 0.2° |
| C23 | P22 | C21 | C6 | 152.7° | 65.8° |
| C23 | C40 | C39 | H28 | 180.0° | 179.9° |
| C23 | C40 | C39 | C38 | 0.1° | 0.0° |
| C40 | C23 | C36 | C37 | 0.8° | 0.0° |
| C40 | C23 | C36 | H24 | 179.2° | 179.9° |
| C23 | C40 | C39 | H27 | 179.8° | 180.0° |
| C40 | C23 | P22 | H8 | 22.9° | 178.1° |
| C39 | C40 | C23 | C36 | 0.6° | 0.0° |
| C40 | C39 | C38 | H27 | 180.0° | 180.0° |
| C40 | C39 | C38 | C37 | 0.1° | 0.0° |
| C40 | C39 | C38 | H26 | 179.9° | 179.9° |
| C23 | C36 | C37 | H24 | 180.0° | 180.0° |
| C23 | C36 | C37 | C38 | 0.6° | 0.0° |
| C23 | C36 | C37 | H25 | 179.4° | 180.0° |
| C36 | C23 | C40 | H28 | 179.4° | 180.0° |
| C36 | C23 | P22 | H8 | 155.6° | 1.7° |
| C14 | C13 | C12 | H4 | 120.6° | 120.1° |
| C14 | C13 | C12 | H5 | 120.6° | 120.1° |
| C14 | C13 | C12 | C06 | 96.9° | 180.0° |
| C14 | C13 | H4 | H5 | 118.1° | 120.0° |
| C14 | C13 | C12 | H11 | 141.8° | 59.9° |
| C14 | C13 | C12 | H12 | 24.4° | 60.0° |
| C13 | C14 | H13 | H14 | 116.3° | 120.0° |
| C13 | C14 | H13 | C1 | 127.5° | 120.0° |
| C13 | C14 | H14 | C1 | 127.5° | 120.0° |
| C13 | C14 | C1 | C2 | 90.0° | 180.0° |
| C13 | C14 | C1 | H15 | 90.0° | 60.0° |
| C13 | C14 | C1 | H35 | 90.0° | 60.0° |
| C10 | C05 | C04 | O09 | 0.2° | 0.1° |
| C10 | C05 | C04 | C06 | 179.6° | 179.6° |
| C10 | C05 | C04 | C03 | 179.6° | 180.0° |
| C10 | C05 | C06 | C12 | 0.9° | 0.1° |
| C10 | C05 | C06 | C01 | 179.8° | 179.7° |
| C05 | C10 | H1 | H2 | 120.0° | 120.0° |
| C05 | C10 | H1 | H3 | 120.0° | 120.0° |
| C05 | C10 | H2 | H3 | 120.0° | 120.0° |
| O09 | C04 | C05 | C03 | 179.8° | 179.9° |
| O09 | C04 | C05 | C06 | 179.8° | 179.7° |
| O09 | C04 | C03 | O08 | 0.9° | 0.0° |
| O09 | C04 | C03 | C02 | 179.7° | 180.0° |
| C39 | C38 | C37 | C36 | 0.1° | 0.0° |
| C39 | C38 | C37 | H26 | 180.0° | 179.9° |
| C39 | C38 | C37 | H25 | 179.8° | 179.9° |
| C38 | C39 | C40 | H28 | 179.9° | 180.0° |
| C36 | C37 | C38 | H25 | 180.0° | 180.0° |
| C36 | C37 | C38 | H26 | 179.8° | 179.9° |
| C42 | O08 | C03 | C04 | 58.7° | 65.8° |
| C42 | O08 | C03 | C02 | 122.5° | 114.2° |
| O08 | C42 | H32 | H33 | 120.0° | 120.0° |
| O08 | C42 | H32 | H34 | 120.0° | 120.1° |
| O08 | C42 | H33 | H34 | 120.0° | 120.0° |
| C04 | C05 | C06 | C12 | 179.5° | 179.7° |
| C04 | C05 | C06 | C01 | 0.6° | 0.6° |
| C05 | C04 | C03 | O08 | 179.3° | 180.0° |
| C05 | C04 | C03 | C02 | 0.5° | 0.0° |
| C04 | C05 | C10 | H1 | 180.0° | 0.0° |
| C04 | C05 | C10 | H2 | 60.0° | 120.0° |
| C04 | C05 | C10 | H3 | 60.0° | 120.0° |
| C06 | C05 | C04 | C03 | 0.0° | 0.3° |
| C05 | C06 | C12 | C13 | 145.5° | 95.1° |
| C05 | C06 | C12 | C01 | 178.9° | 179.6° |
| C05 | C06 | C01 | C02 | 0.7° | 0.6° |
| C05 | C06 | C01 | O11 | 179.6° | 179.7° |
| C06 | C05 | C10 | H1 | 0.4° | 179.7° |
| C06 | C05 | C10 | H2 | 119.6° | 59.7° |
| C06 | C05 | C10 | H3 | 120.4° | 60.3° |
| C05 | C06 | C12 | H11 | 93.2° | 24.9° |
| C05 | C06 | C12 | H12 | 24.2° | 145.0° |
| C04 | C03 | O08 | C02 | 178.8° | 180.0° |
| C04 | C03 | C02 | C01 | 0.4° | 0.0° |
| C04 | C03 | C02 | O07 | 179.3° | 180.0° |
| C13 | C12 | C06 | H11 | 121.3° | 120.0° |
| C13 | C12 | C06 | H12 | 121.3° | 119.9° |
| C13 | C12 | C06 | C01 | 35.6° | 85.3° |
| C12 | C13 | H4 | H5 | 118.1° | 119.9° |
| C13 | C12 | H11 | H12 | 115.9° | 119.9° |
| C12 | C13 | C14 | H13 | 156.9° | 60.0° |
| C12 | C13 | C14 | H14 | 85.4° | 60.0° |
| C12 | C13 | C14 | C1 | 35.8° | 180.0° |
| C12 | C06 | C01 | C02 | 179.6° | 179.7° |
| C12 | C06 | C01 | O11 | 0.8° | 0.0° |
| C06 | C12 | C13 | H4 | 23.7° | 60.0° |
| C06 | C12 | C13 | H5 | 142.5° | 59.9° |
| C06 | C12 | H11 | H12 | 115.9° | 120.1° |
| C06 | C01 | C02 | C03 | 0.3° | 0.3° |
| C06 | C01 | C02 | O11 | 179.6° | 179.7° |
| C06 | C01 | C02 | O07 | 179.9° | 179.7° |
| C01 | C06 | C12 | H11 | 85.7° | 154.7° |
| C01 | C06 | C12 | H12 | 156.9° | 34.6° |
| C38 | C37 | C36 | H24 | 179.4° | 180.0° |
| C37 | C38 | C39 | H27 | 179.9° | 180.0° |
| O08 | C03 | C02 | C01 | 179.2° | 180.0° |
| O08 | C03 | C02 | O07 | 0.5° | 0.0° |
| C03 | O08 | C42 | H32 | 180.0° | 174.7° |
| C03 | O08 | C42 | H33 | 60.0° | 54.8° |
| C03 | O08 | C42 | H34 | 60.0° | 65.2° |
| C03 | C02 | C01 | O07 | 179.7° | 180.0° |
| C03 | C02 | C01 | O11 | 179.9° | 180.0° |
| C03 | C02 | O07 | C41 | 88.3° | 113.9° |
| C01 | C02 | O07 | C41 | 91.4° | 66.1° |
| O11 | C01 | C02 | O07 | 0.4° | 0.0° |
| C02 | O07 | C41 | H29 | 180.0° | 54.8° |
| C02 | O07 | C41 | H30 | 60.0° | 65.1° |
| C02 | O07 | C41 | H31 | 60.0° | 174.9° |
| O07 | C41 | H29 | H30 | 120.0° | 120.0° |
| O07 | C41 | H29 | H31 | 120.0° | 120.0° |
| O07 | C41 | H30 | H31 | 120.0° | 120.0° |
| H1 | C10 | H2 | H3 | 120.0° | 120.1° |
| H4 | C13 | C12 | H11 | 97.6° | 60.1° |
| H4 | C13 | C12 | H12 | 145.0° | 179.9° |
| H4 | C13 | C14 | H13 | 82.4° | 180.0° |
| H4 | C13 | C14 | H14 | 35.2° | 60.0° |
| H4 | C13 | C14 | C1 | 156.4° | 60.0° |
| H5 | C13 | C12 | H11 | 21.2° | 180.0° |
| H5 | C13 | C12 | H12 | 96.2° | 60.0° |
| H5 | C13 | C14 | H13 | 36.3° | 60.0° |
| H5 | C13 | C14 | H14 | 154.0° | 180.0° |
| H5 | C13 | C14 | C1 | 84.8° | 60.0° |
| H6 | C21 | H7 | C6 | 162.6° | 120.0° |
| H6 | C21 | C6 | C5 | 90.0° | 66.3° |
| H6 | C21 | P22 | H8 | 99.9° | 139.1° |
| H6 | C21 | C6 | H44 | 90.0° | 173.6° |
| H6 | C21 | C6 | H45 | 90.0° | 53.6° |
| H7 | C21 | C6 | C5 | 90.0° | 53.6° |
| H7 | C21 | P22 | H8 | 100.0° | 101.0° |
| H7 | C21 | C6 | H44 | 90.0° | 66.4° |
| H7 | C21 | C6 | H45 | 90.0° | 173.6° |
| H9 | C26 | C27 | H16 | 1.0° | 0.0° |
| H10 | C28 | C27 | H16 | 0.1° | 0.3° |
| H10 | C28 | C29 | H17 | 0.0° | 0.0° |
| H13 | C14 | H14 | C1 | 116.2° | 120.0° |
| H13 | C14 | C1 | C2 | 90.0° | 60.0° |
| H13 | C14 | C1 | H15 | 90.0° | 179.9° |
| H13 | C14 | C1 | H35 | 90.0° | 60.0° |
| H14 | C14 | C1 | C2 | 90.0° | 60.0° |
| H14 | C14 | C1 | H15 | 90.0° | 60.1° |
| H14 | C14 | C1 | H35 | 90.0° | 180.0° |
| H17 | C29 | C30 | H18 | 0.8° | 0.5° |
| H19 | C31 | C32 | H20 | 0.4° | 0.1° |
| H20 | C32 | C33 | H21 | 0.1° | 0.1° |
| H21 | C33 | C34 | H22 | 0.2° | 0.1° |
| H22 | C34 | C35 | H23 | 0.6° | 0.2° |
| H24 | C36 | C37 | H25 | 0.6° | 0.0° |
| H25 | C37 | C38 | H26 | 0.2° | 0.0° |
| H26 | C38 | C39 | H27 | 0.0° | 0.1° |
| H27 | C39 | C40 | H28 | 0.1° | 0.0° |
| H29 | C41 | H30 | H31 | 120.0° | 120.0° |
| H32 | C42 | H33 | H34 | 120.0° | 120.0° |
| C14 | C1 | C2 | H15 | 90.0° | 120.0° |
| C14 | C1 | C2 | H35 | 90.0° | 120.0° |
| C14 | C1 | C2 | C3 | 90.0° | 180.0° |
| C14 | C1 | H15 | H35 | 90.0° | 119.9° |
| C14 | C1 | C2 | H36 | 90.0° | 60.0° |
| C14 | C1 | C2 | H37 | 90.0° | 60.0° |
| C1 | C2 | C3 | H36 | 90.0° | 120.0° |
| C1 | C2 | C3 | H37 | 90.0° | 120.0° |
| C1 | C2 | C3 | C4 | 90.0° | 180.0° |
| C2 | C1 | H15 | H35 | 90.0° | 120.0° |
| C1 | C2 | H36 | H37 | 90.0° | 120.0° |
| C1 | C2 | C3 | H38 | 90.0° | 60.0° |
| C1 | C2 | C3 | H39 | 90.0° | 60.0° |
| C2 | C3 | C4 | H38 | 90.0° | 120.0° |
| C2 | C3 | C4 | H39 | 90.0° | 120.0° |
| C2 | C3 | C4 | C5 | 90.0° | 180.0° |
| C3 | C2 | C1 | H15 | 90.0° | 60.0° |
| C3 | C2 | C1 | H35 | 90.0° | 60.0° |
| C3 | C2 | H36 | H37 | 90.0° | 120.0° |
| C2 | C3 | H38 | H39 | 90.0° | 119.9° |
| C2 | C3 | C4 | H40 | 90.0° | 60.0° |
| C2 | C3 | C4 | H41 | 90.0° | 60.0° |
| C3 | C4 | C5 | H40 | 90.0° | 120.0° |
| C3 | C4 | C5 | H41 | 90.0° | 120.0° |
| C3 | C4 | C5 | C6 | 90.0° | 180.0° |
| C4 | C3 | C2 | H36 | 90.0° | 60.0° |
| C4 | C3 | C2 | H37 | 90.0° | 60.0° |
| C4 | C3 | H38 | H39 | 90.0° | 120.0° |
| C3 | C4 | H40 | H41 | 90.0° | 120.0° |
| C3 | C4 | C5 | H42 | 90.0° | 60.0° |
| C3 | C4 | C5 | H43 | 90.0° | 60.0° |
| C4 | C5 | C6 | H42 | 90.0° | 120.0° |
| C4 | C5 | C6 | H43 | 90.0° | 120.0° |
| C4 | C5 | C6 | C21 | 90.0° | 180.0° |
| C5 | C4 | C3 | H38 | 90.0° | 60.0° |
| C5 | C4 | C3 | H39 | 90.0° | 60.0° |
| C5 | C4 | H40 | H41 | 90.0° | 120.0° |
| C4 | C5 | H42 | H43 | 90.0° | 120.0° |
| C4 | C5 | C6 | H44 | 90.0° | 60.0° |
| C4 | C5 | C6 | H45 | 90.0° | 60.0° |
| C5 | C6 | C21 | H44 | 90.0° | 120.0° |
| C5 | C6 | C21 | H45 | 90.0° | 120.0° |
| C6 | C5 | C4 | H40 | 90.0° | 60.0° |
| C6 | C5 | C4 | H41 | 90.0° | 60.0° |
| C6 | C5 | H42 | H43 | 90.0° | 120.0° |
| C5 | C6 | H44 | H45 | 90.0° | 120.0° |
| C6 | C21 | P22 | H8 | NaN° | 19.0° |
| C21 | C6 | C5 | H42 | 90.0° | 60.0° |
| C21 | C6 | C5 | H43 | 90.0° | 60.0° |
| C21 | C6 | H44 | H45 | 90.0° | 120.0° |
| H15 | C1 | C2 | H36 | 90.0° | 180.0° |
| H15 | C1 | C2 | H37 | 90.0° | 60.0° |
| H35 | C1 | C2 | H36 | 90.0° | 60.0° |
| H35 | C1 | C2 | H37 | 90.0° | 180.0° |
| H36 | C2 | C3 | H38 | 90.0° | 179.9° |
| H36 | C2 | C3 | H39 | 90.0° | 60.0° |
| H37 | C2 | C3 | H38 | 90.0° | 60.1° |
| H37 | C2 | C3 | H39 | 90.0° | 180.0° |
| H38 | C3 | C4 | H40 | 90.0° | 180.0° |
| H38 | C3 | C4 | H41 | 90.0° | 60.0° |
| H39 | C3 | C4 | H40 | 90.0° | 60.0° |
| H39 | C3 | C4 | H41 | 90.0° | 180.0° |
| H40 | C4 | C5 | H42 | 90.0° | 179.9° |
| H40 | C4 | C5 | H43 | 90.0° | 60.0° |
| H41 | C4 | C5 | H42 | 90.0° | 60.0° |
| H41 | C4 | C5 | H43 | 90.0° | 180.0° |
| H42 | C5 | C6 | H44 | 90.0° | 60.1° |
| H42 | C5 | C6 | H45 | 90.0° | 179.9° |
| H43 | C5 | C6 | H44 | 90.0° | 180.0° |
| H43 | C5 | C6 | H45 | 90.0° | 60.0° |
