VEQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | S17 | doub | 1.42Å | 1.40Å | |
| C22 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.39Å | 1.42Å | Aromatic |
| N20 | S17 | sing | 1.66Å | 1.60Å | |
| N20 | C21 | sing | 1.40Å | 1.39Å | |
| O19 | S17 | doub | 1.42Å | 1.42Å | |
| C28 | N26 | sing | 1.47Å | 1.51Å | |
| S17 | C13 | sing | 1.76Å | 1.76Å | |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C30 | doub | 1.39Å | 1.38Å | Aromatic |
| O16 | C15 | doub | 1.22Å | 1.23Å | |
| C24 | C25 | sing | 1.51Å | 1.49Å | |
| C24 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.37Å | Aromatic |
| N26 | C25 | sing | 1.47Å | 1.51Å | |
| N26 | C27 | sing | 1.47Å | 1.50Å | |
| C13 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.37Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.47Å | 1.46Å | |
| C15 | N7 | sing | 1.35Å | 1.35Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.55Å | |
| C6 | C4 | sing | 1.53Å | 1.54Å | |
| C14 | C9 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.42Å | Aromatic |
| C2 | N7 | sing | 1.46Å | 1.41Å | |
| C2 | C4 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| N7 | C8 | sing | 1.47Å | 1.48Å | |
| O36 | C35 | doub | 1.21Å | 1.24Å | |
| C9 | C8 | sing | 1.51Å | 1.50Å | |
| C9 | C10 | doub | 1.36Å | 1.38Å | Aromatic |
| C11 | C31 | sing | 1.48Å | 1.47Å | |
| C11 | C10 | sing | 1.40Å | 1.40Å | Aromatic |
| S32 | C31 | sing | 1.76Å | 1.75Å | Aromatic |
| S32 | C33 | sing | 1.71Å | 1.72Å | Aromatic |
| C31 | C39 | doub | 1.35Å | 1.36Å | Aromatic |
| C35 | C37 | sing | 1.51Å | 1.53Å | |
| C35 | N34 | sing | 1.35Å | 1.36Å | |
| C33 | N34 | sing | 1.39Å | 1.43Å | |
| C33 | N38 | doub | 1.30Å | 1.31Å | Aromatic |
| C39 | N38 | sing | 1.31Å | 1.35Å | Aromatic |
| C39 | C40 | sing | 1.51Å | 1.55Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.08Å | 1.08Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.08Å | 1.08Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| C6 | H18 | sing | 1.09Å | 1.10Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| N20 | H20 | sing | 0.97Å | 1.00Å | |
| C23 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C28 | H24 | sing | 1.09Å | 1.10Å | |
| C28 | H25 | sing | 1.09Å | 1.10Å | |
| C28 | H26 | sing | 1.09Å | 1.10Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| N34 | H28 | sing | 0.97Å | 1.00Å | |
| C37 | H29 | sing | 1.09Å | 1.10Å | |
| C37 | H30 | sing | 1.09Å | 1.10Å | |
| C37 | H31 | sing | 1.09Å | 1.10Å | |
| C40 | H32 | sing | 1.09Å | 1.10Å | |
| C40 | H33 | sing | 1.09Å | 1.10Å | |
| C40 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | S17 | N20 | 105.9° | 106.4° |
| O18 | S17 | O19 | 121.9° | 123.1° |
| O18 | S17 | C13 | 106.4° | 106.4° |
| C23 | C22 | C21 | 118.4° | 119.9° |
| C22 | C23 | C24 | 120.2° | 120.1° |
| C23 | C22 | H9 | 120.8° | 120.0° |
| C22 | C23 | H21 | 119.9° | 120.0° |
| C22 | C21 | N20 | 119.5° | 120.0° |
| C22 | C21 | C30 | 120.2° | 119.9° |
| C21 | C22 | H9 | 120.8° | 120.1° |
| S17 | N20 | C21 | 120.2° | 120.0° |
| N20 | S17 | O19 | 102.9° | 106.4° |
| N20 | S17 | C13 | 109.7° | 107.2° |
| S17 | N20 | H20 | 106.7° | 120.0° |
| N20 | C21 | C30 | 119.8° | 120.1° |
| C21 | N20 | H20 | 106.7° | 119.9° |
| O19 | S17 | C13 | 109.7° | 106.4° |
| C28 | N26 | C25 | 118.3° | 111.0° |
| C28 | N26 | C27 | 111.3° | 111.0° |
| N26 | C28 | H24 | 109.5° | 109.5° |
| N26 | C28 | H25 | 109.4° | 109.5° |
| N26 | C28 | H26 | 109.5° | 109.5° |
| S17 | C13 | C14 | 124.6° | 120.0° |
| S17 | C13 | C12 | 116.3° | 120.0° |
| C23 | C24 | C25 | 121.5° | 119.9° |
| C23 | C24 | C29 | 121.1° | 120.2° |
| C24 | C23 | H21 | 119.9° | 120.0° |
| C21 | C30 | C29 | 121.8° | 119.9° |
| C21 | C30 | H14 | 119.1° | 120.0° |
| O16 | C15 | C14 | 124.1° | 124.8° |
| O16 | C15 | N7 | 125.5° | 124.8° |
| C25 | C24 | C29 | 117.4° | 119.9° |
| C24 | C25 | N26 | 110.0° | 109.5° |
| C24 | C25 | H22 | 109.3° | 109.5° |
| C24 | C25 | H23 | 109.3° | 109.4° |
| C24 | C29 | C30 | 118.1° | 120.0° |
| C24 | C29 | H27 | 120.9° | 120.0° |
| C29 | C30 | H14 | 119.1° | 120.0° |
| C30 | C29 | H27 | 120.9° | 120.0° |
| C25 | N26 | C27 | 111.2° | 111.0° |
| N26 | C25 | H22 | 109.4° | 109.5° |
| N26 | C25 | H23 | 109.3° | 109.5° |
| N26 | C27 | H11 | 109.5° | 109.5° |
| N26 | C27 | H12 | 109.5° | 109.5° |
| N26 | C27 | H13 | 109.4° | 109.5° |
| C14 | C13 | C12 | 119.1° | 120.0° |
| C13 | C14 | C15 | 133.1° | 132.1° |
| C13 | C14 | C9 | 118.4° | 119.6° |
| C13 | C12 | C11 | 121.2° | 120.2° |
| C13 | C12 | H8 | 119.4° | 119.8° |
| C14 | C15 | N7 | 110.3° | 110.4° |
| C15 | C14 | C9 | 108.3° | 108.3° |
| C15 | N7 | C2 | 125.9° | 125.6° |
| C15 | N7 | C8 | 108.3° | 108.7° |
| C6 | C5 | C4 | 60.0° | 60.0° |
| C5 | C6 | C4 | 60.1° | 60.0° |
| C6 | C5 | H16 | 120.0° | 117.5° |
| C6 | C5 | H17 | 120.0° | 117.5° |
| C5 | C6 | H18 | 120.0° | 117.5° |
| C5 | C6 | H19 | 120.0° | 117.5° |
| C5 | C4 | C6 | 59.9° | 60.1° |
| C5 | C4 | C2 | 115.4° | 117.5° |
| C5 | C4 | H15 | 119.1° | 117.5° |
| C4 | C5 | H16 | 120.0° | 117.5° |
| C4 | C5 | H17 | 120.0° | 117.5° |
| C6 | C4 | C2 | 109.6° | 117.5° |
| C6 | C4 | H15 | 119.1° | 117.5° |
| C4 | C6 | H18 | 120.0° | 117.4° |
| C4 | C6 | H19 | 120.0° | 117.5° |
| C14 | C9 | C8 | 107.2° | 106.3° |
| C14 | C9 | C10 | 123.8° | 120.5° |
| C12 | C11 | C31 | 118.6° | 120.1° |
| C12 | C11 | C10 | 118.9° | 119.9° |
| C11 | C12 | H8 | 119.4° | 120.0° |
| N7 | C2 | C4 | 108.1° | 109.5° |
| N7 | C2 | C1 | 106.9° | 109.5° |
| C2 | N7 | C8 | 125.6° | 125.7° |
| N7 | C2 | H4 | 111.4° | 109.5° |
| C4 | C2 | C1 | 110.9° | 109.5° |
| C4 | C2 | H4 | 109.8° | 109.5° |
| C2 | C4 | H15 | 119.5° | 115.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 109.8° | 109.5° |
| N7 | C8 | C9 | 105.5° | 106.3° |
| N7 | C8 | H5 | 110.4° | 110.1° |
| N7 | C8 | H6 | 110.4° | 110.1° |
| O36 | C35 | C37 | 123.3° | 120.0° |
| O36 | C35 | N34 | 120.4° | 120.0° |
| C8 | C9 | C10 | 129.0° | 133.2° |
| C9 | C8 | H5 | 110.5° | 110.1° |
| C9 | C8 | H6 | 110.4° | 110.1° |
| C9 | C10 | C11 | 118.3° | 119.8° |
| C9 | C10 | H7 | 120.9° | 120.1° |
| C31 | C11 | C10 | 122.4° | 120.1° |
| C11 | C31 | S32 | 121.4° | 126.0° |
| C11 | C31 | C39 | 131.7° | 126.0° |
| C11 | C10 | H7 | 120.8° | 120.1° |
| C31 | S32 | C33 | 91.5° | 90.3° |
| S32 | C31 | C39 | 106.9° | 107.9° |
| S32 | C33 | N34 | 128.9° | 124.8° |
| S32 | C33 | N38 | 110.9° | 110.3° |
| C31 | C39 | N38 | 116.5° | 114.3° |
| C31 | C39 | C40 | 122.8° | 122.9° |
| C37 | C35 | N34 | 116.2° | 120.0° |
| C35 | C37 | H29 | 109.5° | 109.5° |
| C35 | C37 | H30 | 109.5° | 109.5° |
| C35 | C37 | H31 | 109.5° | 109.5° |
| C35 | N34 | C33 | 121.7° | 120.0° |
| C35 | N34 | H28 | 119.1° | 120.0° |
| N34 | C33 | N38 | 120.0° | 124.8° |
| C33 | N34 | H28 | 119.1° | 120.0° |
| C33 | N38 | C39 | 114.1° | 117.1° |
| N38 | C39 | C40 | 120.7° | 122.9° |
| C39 | C40 | H32 | 109.5° | 109.5° |
| C39 | C40 | H33 | 109.5° | 109.5° |
| C39 | C40 | H34 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.4° |
| H1 | C1 | H3 | 109.4° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.5° | 110.1° |
| H11 | C27 | H12 | 109.5° | 109.4° |
| H11 | C27 | H13 | 109.5° | 109.5° |
| H12 | C27 | H13 | 109.4° | 109.5° |
| H16 | C5 | H17 | 109.5° | 115.5° |
| H18 | C6 | H19 | 109.5° | 115.6° |
| H22 | C25 | H23 | 109.5° | 109.5° |
| H24 | C28 | H25 | 109.4° | 109.4° |
| H24 | C28 | H26 | 109.5° | 109.4° |
| H25 | C28 | H26 | 109.5° | 109.5° |
| H29 | C37 | H30 | 109.5° | 109.4° |
| H29 | C37 | H31 | 109.5° | 109.4° |
| H30 | C37 | H31 | 109.5° | 109.5° |
| H32 | C40 | H33 | 109.5° | 109.5° |
| H32 | C40 | H34 | 109.4° | 109.5° |
| H33 | C40 | H34 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | S17 | N20 | O19 | 128.9° | 132.9° |
| O18 | S17 | N20 | C13 | 114.4° | 113.6° |
| O18 | S17 | N20 | C21 | 173.6° | 46.2° |
| O18 | S17 | O19 | C13 | 125.1° | 122.9° |
| O18 | S17 | C13 | C14 | 65.4° | 176.3° |
| O18 | S17 | C13 | C12 | 115.9° | 3.6° |
| O18 | S17 | N20 | H20 | 64.8° | 133.8° |
| C23 | C22 | C21 | H9 | 180.0° | 180.0° |
| C23 | C22 | C21 | N20 | 176.3° | 179.7° |
| C22 | C23 | C24 | H21 | 180.0° | 180.0° |
| C23 | C22 | C21 | C30 | 3.8° | 0.0° |
| C22 | C23 | C24 | C25 | 177.4° | 180.0° |
| C22 | C23 | C24 | C29 | 3.4° | 0.1° |
| C22 | C21 | N20 | S17 | 74.3° | 45.0° |
| C22 | C21 | N20 | C30 | 172.5° | 179.7° |
| C21 | C22 | C23 | C24 | 3.4° | 0.0° |
| C22 | C21 | C30 | C29 | 4.3° | 0.0° |
| C22 | C21 | C30 | H14 | 175.7° | 180.0° |
| C22 | C21 | N20 | H20 | 164.2° | 134.9° |
| C21 | C22 | C23 | H21 | 176.6° | 180.0° |
| S17 | N20 | C21 | H20 | 121.5° | 180.0° |
| N20 | S17 | O19 | C13 | 116.7° | 114.1° |
| S17 | N20 | C21 | C30 | 113.2° | 134.6° |
| N20 | S17 | C13 | C14 | 48.7° | 62.7° |
| N20 | S17 | C13 | C12 | 130.0° | 117.2° |
| C21 | N20 | S17 | O19 | 44.7° | 179.2° |
| C21 | N20 | S17 | C13 | 72.0° | 67.3° |
| N20 | C21 | C30 | C29 | 176.7° | 179.7° |
| N20 | C21 | C22 | H9 | 3.7° | 0.3° |
| N20 | C21 | C30 | H14 | 3.3° | 0.3° |
| O19 | S17 | C13 | C14 | 161.0° | 50.8° |
| O19 | S17 | C13 | C12 | 17.7° | 129.3° |
| O19 | S17 | N20 | H20 | 166.2° | 0.9° |
| C28 | N26 | C25 | C24 | 54.3° | 168.0° |
| C28 | N26 | C25 | C27 | 130.7° | 123.9° |
| C28 | N26 | C27 | H11 | 180.0° | 176.0° |
| C28 | N26 | C27 | H12 | 60.0° | 56.1° |
| C28 | N26 | C27 | H13 | 60.0° | 63.9° |
| C28 | N26 | C25 | H22 | 65.8° | 48.0° |
| C28 | N26 | C25 | H23 | 174.3° | 72.0° |
| N26 | C28 | H24 | H25 | 120.0° | 120.1° |
| N26 | C28 | H24 | H26 | 120.0° | 120.0° |
| N26 | C28 | H25 | H26 | 120.0° | 120.0° |
| S17 | C13 | C14 | C12 | 178.7° | 179.9° |
| S17 | C13 | C14 | C15 | 1.9° | 0.1° |
| S17 | C13 | C14 | C9 | 176.0° | 180.0° |
| S17 | C13 | C12 | C11 | 174.8° | 180.0° |
| S17 | C13 | C12 | H8 | 5.2° | 0.0° |
| C13 | S17 | N20 | H20 | 49.5° | 112.6° |
| C23 | C24 | C25 | C29 | 179.2° | 180.0° |
| C23 | C24 | C29 | C30 | 3.7° | 0.0° |
| C23 | C24 | C25 | N26 | 106.0° | 84.3° |
| C24 | C23 | C22 | H9 | 176.6° | 180.0° |
| C23 | C24 | C25 | H22 | 14.1° | 35.7° |
| C23 | C24 | C25 | H23 | 133.9° | 155.7° |
| C23 | C24 | C29 | H27 | 176.3° | 180.0° |
| C21 | C30 | C29 | C24 | 4.1° | 0.0° |
| C21 | C30 | C29 | H14 | 180.0° | 180.0° |
| C30 | C21 | C22 | H9 | 176.2° | 180.0° |
| C30 | C21 | N20 | H20 | 8.3° | 45.4° |
| C21 | C30 | C29 | H27 | 175.9° | 179.9° |
| O16 | C15 | C14 | C13 | 6.0° | 0.1° |
| O16 | C15 | C14 | N7 | 177.3° | 179.9° |
| O16 | C15 | C14 | C9 | 179.5° | 180.0° |
| O16 | C15 | N7 | C2 | 2.8° | 0.1° |
| O16 | C15 | N7 | C8 | 177.6° | 180.0° |
| C25 | C24 | C29 | C30 | 177.1° | 180.0° |
| C24 | C25 | N26 | H22 | 120.1° | 120.0° |
| C24 | C25 | N26 | H23 | 120.0° | 119.9° |
| C24 | C25 | N26 | C27 | 175.1° | 68.0° |
| C25 | C24 | C23 | H21 | 2.6° | 0.0° |
| C24 | C25 | H22 | H23 | 119.7° | 120.0° |
| C25 | C24 | C29 | H27 | 2.9° | 0.1° |
| C24 | C29 | C30 | H27 | 180.0° | 180.0° |
| C29 | C24 | C25 | N26 | 74.8° | 95.7° |
| C24 | C29 | C30 | H14 | 175.9° | 180.0° |
| C29 | C24 | C23 | H21 | 176.6° | 180.0° |
| C29 | C24 | C25 | H22 | 165.1° | 144.3° |
| C29 | C24 | C25 | H23 | 45.3° | 24.3° |
| C25 | N26 | C27 | H11 | 45.8° | 60.0° |
| C25 | N26 | C27 | H12 | 165.8° | 180.0° |
| C25 | N26 | C27 | H13 | 74.2° | 60.0° |
| N26 | C25 | H22 | H23 | 119.8° | 120.0° |
| C25 | N26 | C28 | H24 | 180.0° | 64.9° |
| C25 | N26 | C28 | H25 | 60.0° | 175.1° |
| C25 | N26 | C28 | H26 | 60.0° | 55.1° |
| N26 | C27 | H11 | H12 | 120.0° | 120.0° |
| N26 | C27 | H11 | H13 | 120.0° | 120.0° |
| N26 | C27 | H12 | H13 | 119.9° | 120.1° |
| C27 | N26 | C25 | H22 | 64.9° | 172.0° |
| C27 | N26 | C25 | H23 | 55.0° | 51.9° |
| C27 | N26 | C28 | H24 | 49.4° | 59.0° |
| C27 | N26 | C28 | H25 | 169.3° | 61.0° |
| C27 | N26 | C28 | H26 | 70.6° | 179.0° |
| C13 | C14 | C15 | C9 | 174.5° | 179.9° |
| C13 | C14 | C15 | N7 | 171.3° | 180.0° |
| C14 | C13 | C12 | C11 | 6.4° | 0.0° |
| C13 | C14 | C9 | C8 | 175.5° | 179.9° |
| C13 | C14 | C9 | C10 | 1.6° | 0.0° |
| C14 | C13 | C12 | H8 | 173.6° | 180.0° |
| C12 | C13 | C14 | C15 | 179.4° | 179.9° |
| C12 | C13 | C14 | C9 | 5.4° | 0.1° |
| C13 | C12 | C11 | H8 | 180.0° | 180.0° |
| C13 | C12 | C11 | C31 | 175.4° | 179.9° |
| C13 | C12 | C11 | C10 | 3.5° | 0.0° |
| C14 | C15 | N7 | C2 | 179.9° | 180.0° |
| C14 | C15 | N7 | C8 | 5.1° | 0.2° |
| C15 | C14 | C9 | C8 | 0.1° | 0.0° |
| C15 | C14 | C9 | C10 | 177.0° | 179.9° |
| N7 | C15 | C14 | C9 | 3.2° | 0.1° |
| C15 | N7 | C2 | C8 | 173.9° | 179.8° |
| C15 | N7 | C2 | C4 | 127.8° | 55.3° |
| C15 | N7 | C2 | C1 | 112.9° | 64.7° |
| C15 | N7 | C8 | C9 | 5.0° | 0.1° |
| C15 | N7 | C2 | H4 | 7.1° | 175.4° |
| C15 | N7 | C8 | H5 | 124.4° | 119.1° |
| C15 | N7 | C8 | H6 | 114.3° | 119.3° |
| C6 | C5 | C4 | H16 | 109.5° | 107.5° |
| C6 | C5 | C4 | H17 | 109.4° | 107.5° |
| C5 | C6 | C4 | H18 | 109.5° | 107.5° |
| C5 | C6 | C4 | H19 | 109.5° | 107.5° |
| C5 | C6 | C4 | C2 | 108.7° | 107.5° |
| C6 | C5 | C4 | H15 | 108.7° | 107.5° |
| C6 | C5 | H16 | H17 | 144.7° | 145.6° |
| C5 | C6 | H18 | H19 | 144.7° | 145.8° |
| C5 | C4 | C2 | N7 | 80.5° | 179.1° |
| C5 | C4 | C2 | H15 | 152.3° | 145.7° |
| C5 | C4 | C2 | C1 | 162.6° | 60.9° |
| C5 | C4 | C2 | H4 | 41.1° | 59.1° |
| C4 | C5 | H16 | H17 | 144.8° | 145.7° |
| C6 | C4 | C2 | N7 | 145.7° | 112.2° |
| C6 | C4 | C2 | H15 | 142.5° | 145.6° |
| C6 | C4 | C2 | C1 | 97.5° | 7.8° |
| C6 | C4 | C2 | H4 | 24.0° | 127.8° |
| C4 | C6 | H18 | H19 | 144.7° | 145.7° |
| C14 | C9 | C8 | N7 | 3.0° | 0.1° |
| C14 | C9 | C8 | C10 | 176.9° | 179.9° |
| C14 | C9 | C10 | C11 | 1.3° | 0.1° |
| C14 | C9 | C8 | H5 | 122.4° | 119.2° |
| C14 | C9 | C8 | H6 | 116.3° | 119.3° |
| C14 | C9 | C10 | H7 | 178.7° | 180.0° |
| C12 | C11 | C10 | C9 | 0.4° | 0.1° |
| C12 | C11 | C31 | C10 | 178.9° | 179.9° |
| C12 | C11 | C31 | S32 | 25.7° | 46.3° |
| C12 | C11 | C31 | C39 | 151.9° | 133.4° |
| C12 | C11 | C10 | H7 | 179.6° | 180.0° |
| N7 | C2 | C4 | C1 | 116.8° | 120.0° |
| N7 | C2 | C4 | H4 | 121.7° | 120.0° |
| N7 | C2 | C1 | H4 | 121.0° | 120.0° |
| C2 | N7 | C8 | C9 | 179.8° | 180.0° |
| N7 | C2 | C1 | H1 | 180.0° | 179.9° |
| N7 | C2 | C1 | H2 | 60.0° | 60.0° |
| N7 | C2 | C1 | H3 | 60.0° | 60.0° |
| C2 | N7 | C8 | H5 | 60.8° | 60.7° |
| C2 | N7 | C8 | H6 | 60.4° | 60.8° |
| N7 | C2 | C4 | H15 | 71.8° | 33.5° |
| C4 | C2 | C1 | H4 | 121.5° | 120.0° |
| C4 | C2 | N7 | C8 | 58.3° | 124.5° |
| C4 | C2 | C1 | H1 | 62.5° | 60.0° |
| C4 | C2 | C1 | H2 | 177.5° | 180.0° |
| C4 | C2 | C1 | H3 | 57.5° | 60.0° |
| C2 | C4 | C5 | H16 | 10.6° | 145.0° |
| C2 | C4 | C5 | H17 | 151.7° | 0.0° |
| C2 | C4 | C6 | H18 | 141.8° | 0.0° |
| C2 | C4 | C6 | H19 | 0.8° | 145.0° |
| C1 | C2 | N7 | C8 | 61.0° | 115.5° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C4 | H15 | 45.0° | 153.4° |
| N7 | C8 | C9 | H5 | 119.4° | 119.2° |
| N7 | C8 | C9 | H6 | 119.4° | 119.2° |
| N7 | C8 | C9 | C10 | 173.9° | 180.0° |
| C8 | N7 | C2 | H4 | 179.0° | 4.5° |
| N7 | C8 | H5 | H6 | 121.8° | 121.6° |
| O36 | C35 | C37 | N34 | 178.3° | 179.9° |
| O36 | C35 | N34 | C33 | 0.6° | 0.0° |
| O36 | C35 | N34 | H28 | 179.4° | 180.0° |
| O36 | C35 | C37 | H29 | 0.0° | 90.0° |
| O36 | C35 | C37 | H30 | 120.0° | 30.0° |
| O36 | C35 | C37 | H31 | 120.0° | 150.0° |
| C8 | C9 | C10 | C11 | 177.8° | 180.0° |
| C9 | C8 | H5 | H6 | 121.8° | 121.6° |
| C8 | C9 | C10 | H7 | 2.2° | 0.1° |
| C9 | C10 | C11 | C31 | 179.2° | 180.0° |
| C9 | C10 | C11 | H7 | 180.0° | 179.9° |
| C10 | C9 | C8 | H5 | 54.6° | 60.8° |
| C10 | C9 | C8 | H6 | 66.7° | 60.8° |
| C11 | C31 | S32 | C39 | 178.1° | 179.8° |
| C11 | C31 | S32 | C33 | 179.5° | 180.0° |
| C11 | C31 | C39 | N38 | 177.9° | 180.0° |
| C11 | C31 | C39 | C40 | 2.4° | 0.1° |
| C31 | C11 | C10 | H7 | 0.8° | 0.1° |
| C31 | C11 | C12 | H8 | 4.6° | 0.1° |
| C10 | C11 | C31 | S32 | 155.4° | 133.6° |
| C10 | C11 | C31 | C39 | 27.0° | 46.7° |
| C10 | C11 | C12 | H8 | 176.5° | 180.0° |
| C31 | S32 | C33 | N34 | 178.0° | 179.9° |
| C31 | S32 | C33 | N38 | 2.4° | 0.2° |
| S32 | C31 | C39 | N38 | 0.0° | 0.2° |
| S32 | C31 | C39 | C40 | 179.7° | 179.7° |
| C33 | S32 | C31 | C39 | 1.3° | 0.2° |
| S32 | C33 | N34 | C35 | 1.2° | 179.9° |
| S32 | C33 | N34 | N38 | 175.3° | 179.9° |
| S32 | C33 | N38 | C39 | 2.8° | 0.1° |
| S32 | C33 | N34 | H28 | 178.7° | 0.0° |
| C31 | C39 | N38 | C33 | 1.9° | 0.1° |
| C31 | C39 | N38 | C40 | 179.7° | 179.9° |
| C31 | C39 | C40 | H32 | 179.7° | 94.2° |
| C31 | C39 | C40 | H33 | 60.3° | 145.8° |
| C31 | C39 | C40 | H34 | 59.7° | 25.8° |
| C37 | C35 | N34 | C33 | 177.8° | 180.0° |
| C37 | C35 | N34 | H28 | 2.2° | 0.1° |
| C35 | C37 | H29 | H30 | 120.0° | 120.0° |
| C35 | C37 | H29 | H31 | 120.0° | 120.0° |
| C35 | C37 | H30 | H31 | 120.0° | 120.1° |
| C35 | N34 | C33 | H28 | 180.0° | 180.0° |
| C35 | N34 | C33 | N38 | 174.0° | 0.0° |
| N34 | C35 | C37 | H29 | 178.3° | 90.1° |
| N34 | C35 | C37 | H30 | 58.3° | 150.0° |
| N34 | C35 | C37 | H31 | 61.6° | 29.9° |
| N34 | C33 | N38 | C39 | 178.9° | 180.0° |
| C33 | N38 | C39 | C40 | 177.8° | 179.8° |
| N38 | C33 | N34 | H28 | 6.0° | 180.0° |
| N38 | C39 | C40 | H32 | 0.0° | 85.9° |
| N38 | C39 | C40 | H33 | 120.0° | 34.1° |
| N38 | C39 | C40 | H34 | 120.0° | 154.1° |
| C39 | C40 | H32 | H33 | 120.0° | 120.0° |
| C39 | C40 | H32 | H34 | 120.0° | 120.0° |
| C39 | C40 | H33 | H34 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H1 | C1 | C2 | H4 | 59.0° | 60.0° |
| H2 | C1 | C2 | H4 | 60.9° | 60.0° |
| H3 | C1 | C2 | H4 | 179.0° | 180.0° |
| H4 | C2 | C4 | H15 | 166.5° | 86.6° |
| H9 | C22 | C23 | H21 | 3.4° | 0.0° |
| H11 | C27 | H12 | H13 | 120.0° | 120.0° |
| H14 | C30 | C29 | H27 | 4.1° | 0.0° |
| H15 | C4 | C5 | H16 | 141.9° | 0.0° |
| H15 | C4 | C5 | H17 | 0.8° | 145.1° |
| H15 | C4 | C6 | H18 | 0.8° | 145.0° |
| H15 | C4 | C6 | H19 | 141.8° | 0.0° |
| H16 | C5 | C6 | H18 | 141.0° | 145.1° |
| H16 | C5 | C6 | H19 | 0.0° | 0.0° |
| H17 | C5 | C6 | H18 | 0.0° | 0.1° |
| H17 | C5 | C6 | H19 | 141.1° | 145.0° |
| H24 | C28 | H25 | H26 | 120.0° | 119.9° |
| H29 | C37 | H30 | H31 | 120.0° | 119.9° |
| H32 | C40 | H33 | H34 | 120.0° | 120.0° |
