VEN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | S17 | doub | 1.42Å | 1.39Å | |
| O19 | S17 | doub | 1.42Å | 1.46Å | |
| S17 | C20 | sing | 1.81Å | 1.84Å | |
| S17 | C13 | sing | 1.76Å | 1.79Å | |
| O16 | C15 | doub | 1.22Å | 1.20Å | |
| C34 | C33 | sing | 1.55Å | 1.58Å | |
| C34 | C35 | sing | 1.51Å | 1.55Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C13 | C14 | doub | 1.40Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.37Å | 1.37Å | Aromatic |
| C33 | C32 | sing | 1.54Å | 1.56Å | |
| O36 | C35 | doub | 1.21Å | 1.23Å | |
| C35 | N31 | sing | 1.34Å | 1.38Å | |
| C15 | C14 | sing | 1.47Å | 1.48Å | |
| C15 | N7 | sing | 1.35Å | 1.34Å | |
| C6 | C4 | sing | 1.53Å | 1.52Å | |
| C14 | C9 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.40Å | 1.40Å | Aromatic |
| C32 | N31 | sing | 1.47Å | 1.50Å | |
| N31 | C29 | sing | 1.39Å | 1.41Å | |
| C2 | N7 | sing | 1.47Å | 1.45Å | |
| C2 | C4 | sing | 1.53Å | 1.54Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| N7 | C8 | sing | 1.47Å | 1.49Å | |
| C29 | C28 | doub | 1.39Å | 1.44Å | Aromatic |
| C29 | N30 | sing | 1.32Å | 1.33Å | Aromatic |
| C9 | C8 | sing | 1.51Å | 1.47Å | |
| C9 | C10 | doub | 1.36Å | 1.34Å | Aromatic |
| C11 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C11 | C21 | sing | 1.47Å | 1.48Å | |
| C28 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| S22 | C21 | sing | 1.76Å | 1.73Å | Aromatic |
| S22 | C23 | sing | 1.71Å | 1.74Å | Aromatic |
| N30 | C25 | doub | 1.33Å | 1.32Å | Aromatic |
| C21 | C38 | doub | 1.35Å | 1.36Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C25 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | N24 | sing | 1.39Å | 1.39Å | |
| C23 | N24 | sing | 1.38Å | 1.40Å | |
| C23 | N37 | doub | 1.30Å | 1.29Å | Aromatic |
| C38 | N37 | sing | 1.31Å | 1.33Å | Aromatic |
| C38 | C39 | sing | 1.51Å | 1.50Å | |
| 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 | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.08Å | 1.08Å | |
| C32 | H13 | sing | 1.09Å | 1.10Å | |
| C33 | H14 | sing | 1.09Å | 1.10Å | |
| C34 | H15 | sing | 1.09Å | 1.10Å | |
| C34 | H16 | sing | 1.09Å | 1.10Å | |
| C4 | H17 | sing | 1.09Å | 1.10Å | |
| C5 | H18 | sing | 1.09Å | 1.10Å | |
| C5 | H19 | sing | 1.09Å | 1.10Å | |
| C6 | H20 | sing | 1.09Å | 1.10Å | |
| C6 | H21 | sing | 1.09Å | 1.10Å | |
| N24 | H22 | sing | 0.97Å | 1.00Å | |
| C26 | H23 | sing | 1.08Å | 1.08Å | |
| C28 | H24 | sing | 1.08Å | 1.08Å | |
| C39 | H25 | sing | 1.09Å | 1.10Å | |
| C39 | H26 | sing | 1.09Å | 1.10Å | |
| C39 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | S17 | O19 | 125.1° | 121.0° |
| O18 | S17 | C20 | 109.0° | 110.5° |
| O18 | S17 | C13 | 106.8° | 104.3° |
| O19 | S17 | C20 | 103.7° | 110.5° |
| O19 | S17 | C13 | 104.0° | 104.3° |
| C20 | S17 | C13 | 106.9° | 104.5° |
| S17 | C20 | H9 | 109.5° | 109.5° |
| S17 | C20 | H10 | 109.5° | 109.5° |
| S17 | C20 | H11 | 109.4° | 109.5° |
| S17 | C13 | C14 | 124.5° | 120.0° |
| S17 | C13 | C12 | 118.1° | 120.0° |
| O16 | C15 | C14 | 126.0° | 124.8° |
| O16 | C15 | N7 | 122.3° | 124.8° |
| C33 | C34 | C35 | 105.0° | 104.2° |
| C34 | C33 | C32 | 103.7° | 101.8° |
| C34 | C33 | H14 | 110.9° | 111.0° |
| C33 | C34 | H15 | 110.6° | 110.6° |
| C33 | C34 | H16 | 110.6° | 110.5° |
| C34 | C33 | H29 | 110.9° | 111.1° |
| C34 | C35 | O36 | 123.6° | 124.9° |
| C34 | C35 | N31 | 112.2° | 110.1° |
| C35 | C34 | H15 | 110.6° | 110.5° |
| C35 | C34 | H16 | 110.6° | 110.4° |
| C6 | C5 | C4 | 59.9° | 60.0° |
| C5 | C6 | C4 | 59.0° | 60.0° |
| C6 | C5 | H18 | 120.0° | 117.5° |
| C6 | C5 | H19 | 120.0° | 117.5° |
| C5 | C6 | H20 | 120.1° | 117.5° |
| C5 | C6 | H21 | 120.2° | 117.5° |
| C5 | C4 | C6 | 61.1° | 60.0° |
| C5 | C4 | C2 | 118.0° | 117.5° |
| C5 | C4 | H17 | 117.0° | 117.5° |
| C4 | C5 | H18 | 120.0° | 117.5° |
| C4 | C5 | H19 | 120.0° | 117.5° |
| C14 | C13 | C12 | 117.3° | 120.0° |
| C13 | C14 | C15 | 133.7° | 132.1° |
| C13 | C14 | C9 | 119.6° | 119.6° |
| C13 | C12 | C11 | 122.4° | 120.1° |
| C13 | C12 | H8 | 118.8° | 119.9° |
| C33 | C32 | N31 | 108.8° | 105.5° |
| C33 | C32 | H13 | 109.7° | 110.3° |
| C32 | C33 | H14 | 110.9° | 110.9° |
| C33 | C32 | H28 | 109.6° | 110.3° |
| C32 | C33 | H29 | 110.9° | 111.0° |
| O36 | C35 | N31 | 124.2° | 124.9° |
| C35 | N31 | C32 | 109.9° | 111.3° |
| C35 | N31 | C29 | 123.6° | 124.3° |
| C14 | C15 | N7 | 111.6° | 110.4° |
| C15 | C14 | C9 | 106.7° | 108.2° |
| C15 | N7 | C2 | 124.8° | 125.6° |
| C15 | N7 | C8 | 106.9° | 108.7° |
| C6 | C4 | C2 | 116.1° | 117.5° |
| C6 | C4 | H17 | 116.7° | 117.5° |
| C4 | C6 | H20 | 120.2° | 117.5° |
| C4 | C6 | H21 | 120.2° | 117.5° |
| C14 | C9 | C8 | 107.7° | 106.4° |
| C14 | C9 | C10 | 122.0° | 120.5° |
| C12 | C11 | C10 | 119.1° | 119.9° |
| C12 | C11 | C21 | 118.8° | 120.1° |
| C11 | C12 | H8 | 118.8° | 119.9° |
| C32 | N31 | C29 | 126.5° | 124.4° |
| N31 | C32 | H13 | 109.6° | 110.2° |
| N31 | C32 | H28 | 109.6° | 110.2° |
| N31 | C29 | C28 | 123.6° | 119.6° |
| N31 | C29 | N30 | 116.2° | 119.7° |
| N7 | C2 | C4 | 112.2° | 109.5° |
| N7 | C2 | C1 | 104.9° | 109.5° |
| C2 | N7 | C8 | 128.3° | 125.7° |
| N7 | C2 | H4 | 111.2° | 109.5° |
| C4 | C2 | C1 | 108.2° | 109.5° |
| C4 | C2 | H4 | 110.0° | 109.5° |
| C2 | C4 | H17 | 116.5° | 115.6° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.4° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 110.2° | 109.5° |
| N7 | C8 | C9 | 107.1° | 106.2° |
| N7 | C8 | H5 | 110.0° | 110.2° |
| N7 | C8 | H6 | 110.1° | 110.1° |
| C28 | C29 | N30 | 120.2° | 120.7° |
| C29 | C28 | C27 | 117.9° | 119.2° |
| C29 | C28 | H24 | 121.1° | 120.4° |
| C29 | N30 | C25 | 123.0° | 121.6° |
| C8 | C9 | C10 | 130.3° | 133.1° |
| C9 | C8 | H5 | 110.1° | 110.1° |
| C9 | C8 | H6 | 110.0° | 110.0° |
| C9 | C10 | C11 | 119.5° | 119.9° |
| C9 | C10 | H7 | 120.2° | 120.1° |
| C10 | C11 | C21 | 122.2° | 120.1° |
| C11 | C10 | H7 | 120.3° | 120.0° |
| C11 | C21 | S22 | 120.0° | 126.0° |
| C11 | C21 | C38 | 132.2° | 126.0° |
| C28 | C27 | C26 | 118.6° | 118.6° |
| C28 | C27 | H12 | 120.7° | 120.7° |
| C27 | C28 | H24 | 121.0° | 120.4° |
| C21 | S22 | C23 | 91.0° | 90.4° |
| S22 | C21 | C38 | 107.8° | 107.9° |
| S22 | C23 | N24 | 127.1° | 124.9° |
| S22 | C23 | N37 | 110.0° | 110.3° |
| N30 | C25 | C26 | 120.5° | 120.7° |
| N30 | C25 | N24 | 117.5° | 119.7° |
| C21 | C38 | N37 | 115.2° | 114.3° |
| C21 | C38 | C39 | 122.3° | 122.9° |
| C27 | C26 | C25 | 119.8° | 119.2° |
| C26 | C27 | H12 | 120.7° | 120.7° |
| C27 | C26 | H23 | 120.1° | 120.4° |
| C26 | C25 | N24 | 122.0° | 119.6° |
| C25 | C26 | H23 | 120.1° | 120.4° |
| C25 | N24 | C23 | 122.4° | 120.0° |
| C25 | N24 | H22 | 118.8° | 120.0° |
| N24 | C23 | N37 | 122.9° | 124.8° |
| C23 | N24 | H22 | 118.8° | 120.0° |
| C23 | N37 | C38 | 115.9° | 117.1° |
| N37 | C38 | C39 | 122.4° | 122.9° |
| C38 | C39 | H25 | 109.5° | 109.4° |
| C38 | C39 | H26 | 109.5° | 109.5° |
| C38 | C39 | H27 | 109.4° | 109.5° |
| H1 | C1 | H2 | 109.4° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H5 | C8 | H6 | 109.5° | 110.1° |
| H9 | C20 | H10 | 109.5° | 109.5° |
| H9 | C20 | H11 | 109.5° | 109.5° |
| H10 | C20 | H11 | 109.5° | 109.5° |
| H13 | C32 | H28 | 109.4° | 110.2° |
| H14 | C33 | H29 | 109.5° | 110.9° |
| H15 | C34 | H16 | 109.5° | 110.6° |
| H18 | C5 | H19 | 109.5° | 115.5° |
| H20 | C6 | H21 | 109.5° | 115.6° |
| H25 | C39 | H26 | 109.5° | 109.5° |
| H25 | C39 | H27 | 109.5° | 109.5° |
| H26 | C39 | H27 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | S17 | O19 | C20 | 125.6° | 131.5° |
| O18 | S17 | O19 | C13 | 122.7° | 116.8° |
| O18 | S17 | C20 | C13 | 115.1° | 111.6° |
| O18 | S17 | C13 | C14 | 54.1° | 51.1° |
| O18 | S17 | C13 | C12 | 130.0° | 129.0° |
| O18 | S17 | C20 | H9 | 180.0° | 51.7° |
| O18 | S17 | C20 | H10 | 60.0° | 68.4° |
| O18 | S17 | C20 | H11 | 60.0° | 171.6° |
| O19 | S17 | C20 | C13 | 109.6° | 111.7° |
| O19 | S17 | C13 | C14 | 171.9° | 178.9° |
| O19 | S17 | C13 | C12 | 4.0° | 1.1° |
| O19 | S17 | C20 | H9 | 44.7° | 171.6° |
| O19 | S17 | C20 | H10 | 164.7° | 68.4° |
| O19 | S17 | C20 | H11 | 75.3° | 51.6° |
| C20 | S17 | C13 | C14 | 62.5° | 65.0° |
| C20 | S17 | C13 | C12 | 113.4° | 115.0° |
| S17 | C20 | H9 | H10 | 120.0° | 120.0° |
| S17 | C20 | H9 | H11 | 120.0° | 120.0° |
| S17 | C20 | H10 | H11 | 120.0° | 120.0° |
| S17 | C13 | C14 | C12 | 176.0° | 180.0° |
| S17 | C13 | C14 | C15 | 0.3° | 0.0° |
| S17 | C13 | C14 | C9 | 177.3° | 180.0° |
| S17 | C13 | C12 | C11 | 179.8° | 180.0° |
| S17 | C13 | C12 | H8 | 0.3° | 0.0° |
| C13 | S17 | C20 | H9 | 64.9° | 60.0° |
| C13 | S17 | C20 | H10 | 55.1° | 180.0° |
| C13 | S17 | C20 | H11 | 175.1° | 60.0° |
| O16 | C15 | C14 | C13 | 1.5° | 0.1° |
| O16 | C15 | C14 | N7 | 179.9° | 179.8° |
| O16 | C15 | C14 | C9 | 179.4° | 180.0° |
| O16 | C15 | N7 | C2 | 1.2° | 0.2° |
| O16 | C15 | N7 | C8 | 179.3° | 180.0° |
| C33 | C34 | C35 | H15 | 119.3° | 118.8° |
| C33 | C34 | C35 | H16 | 119.3° | 118.6° |
| C34 | C33 | C32 | H14 | 119.1° | 118.1° |
| C34 | C33 | C32 | H29 | 119.1° | 118.2° |
| C33 | C34 | C35 | O36 | 177.0° | 163.8° |
| C33 | C34 | C35 | N31 | 3.5° | 16.3° |
| C34 | C33 | C32 | N31 | 6.8° | 25.5° |
| C34 | C33 | C32 | H13 | 113.1° | 144.4° |
| C34 | C33 | H14 | H29 | 122.7° | 123.9° |
| C33 | C34 | H15 | H16 | 122.1° | 122.7° |
| C34 | C33 | C32 | H28 | 126.7° | 93.5° |
| C35 | C34 | C33 | C32 | 6.0° | 24.9° |
| C34 | C35 | O36 | N31 | 179.5° | 179.9° |
| C34 | C35 | N31 | C32 | 0.9° | 0.4° |
| C34 | C35 | N31 | C29 | 179.9° | 179.6° |
| C35 | C34 | C33 | H14 | 125.1° | 142.9° |
| C35 | C34 | H15 | H16 | 122.1° | 122.6° |
| C35 | C34 | C33 | H29 | 113.1° | 93.3° |
| C6 | C5 | C4 | H18 | 109.5° | 107.5° |
| C6 | C5 | C4 | H19 | 109.5° | 107.5° |
| C5 | C6 | C4 | H20 | 109.2° | 107.5° |
| C5 | C6 | C4 | H21 | 109.2° | 107.5° |
| C5 | C6 | C4 | C2 | 109.1° | 107.5° |
| C6 | C5 | C4 | H17 | 107.2° | 107.5° |
| C6 | C5 | H18 | H19 | 144.8° | 145.8° |
| C5 | C6 | H20 | H21 | 145.3° | 145.8° |
| C5 | C4 | C2 | N7 | 70.4° | 179.9° |
| C5 | C4 | C2 | H17 | 147.1° | 145.7° |
| C5 | C4 | C2 | C1 | 174.4° | 59.9° |
| C5 | C4 | C2 | H4 | 54.0° | 60.1° |
| C4 | C5 | H18 | H19 | 144.8° | 145.6° |
| C13 | C14 | C15 | C9 | 177.9° | 180.0° |
| C13 | C14 | C15 | N7 | 178.4° | 179.9° |
| C14 | C13 | C12 | C11 | 4.0° | 0.0° |
| C13 | C14 | C9 | C8 | 179.9° | 180.0° |
| C13 | C14 | C9 | C10 | 1.5° | 0.0° |
| C14 | C13 | C12 | H8 | 176.0° | 180.0° |
| C12 | C13 | C14 | C15 | 176.3° | 179.9° |
| C12 | C13 | C14 | C9 | 1.4° | 0.0° |
| C13 | C12 | C11 | H8 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 3.9° | 0.0° |
| C13 | C12 | C11 | C21 | 176.5° | 180.0° |
| C33 | C32 | N31 | C35 | 5.0° | 17.0° |
| C33 | C32 | N31 | H13 | 119.9° | 119.0° |
| C33 | C32 | N31 | H28 | 119.9° | 119.1° |
| C33 | C32 | N31 | C29 | 176.0° | 163.0° |
| C33 | C32 | H13 | H28 | 120.3° | 122.1° |
| C32 | C33 | H14 | H29 | 122.7° | 123.7° |
| C32 | C33 | C34 | H15 | 125.3° | 93.9° |
| C32 | C33 | C34 | H16 | 113.2° | 143.4° |
| O36 | C35 | N31 | C32 | 178.7° | 179.5° |
| O36 | C35 | N31 | C29 | 0.3° | 0.5° |
| O36 | C35 | C34 | H15 | 57.7° | 77.5° |
| O36 | C35 | C34 | H16 | 63.7° | 45.2° |
| C35 | N31 | C32 | C29 | 179.0° | 180.0° |
| C35 | N31 | C29 | C28 | 10.8° | 175.1° |
| C35 | N31 | C29 | N30 | 171.1° | 5.0° |
| C35 | N31 | C32 | H13 | 115.0° | 136.0° |
| N31 | C35 | C34 | H15 | 122.8° | 102.4° |
| N31 | C35 | C34 | H16 | 115.8° | 134.9° |
| C35 | N31 | C32 | H28 | 124.9° | 102.1° |
| C14 | C15 | N7 | C2 | 178.7° | 180.0° |
| C14 | C15 | N7 | C8 | 0.8° | 0.2° |
| C15 | C14 | C9 | C8 | 1.7° | 0.0° |
| C15 | C14 | C9 | C10 | 179.7° | 179.9° |
| N7 | C15 | C14 | C9 | 0.5° | 0.1° |
| C15 | N7 | C2 | C8 | 179.4° | 179.8° |
| C15 | N7 | C2 | C4 | 132.9° | 59.9° |
| C15 | N7 | C2 | C1 | 109.9° | 60.1° |
| C15 | N7 | C8 | C9 | 1.8° | 0.2° |
| C15 | N7 | C2 | H4 | 9.2° | 179.9° |
| C15 | N7 | C8 | H5 | 117.8° | 119.1° |
| C15 | N7 | C8 | H6 | 121.4° | 119.3° |
| C6 | C4 | C2 | N7 | 140.0° | 111.3° |
| C6 | C4 | C2 | H17 | 143.4° | 145.7° |
| C6 | C4 | C2 | C1 | 104.8° | 8.7° |
| C6 | C4 | C2 | H4 | 15.6° | 128.7° |
| C4 | C6 | H20 | H21 | 145.3° | 145.6° |
| C14 | C9 | C8 | N7 | 2.2° | 0.1° |
| C14 | C9 | C8 | C10 | 178.5° | 179.9° |
| C14 | C9 | C10 | C11 | 1.6° | 0.1° |
| C14 | C9 | C8 | H5 | 117.4° | 119.2° |
| C14 | C9 | C8 | H6 | 121.8° | 119.3° |
| C14 | C9 | C10 | H7 | 178.3° | 180.0° |
| C12 | C11 | C10 | C9 | 0.9° | 0.1° |
| C12 | C11 | C10 | C21 | 179.6° | 180.0° |
| C12 | C11 | C21 | S22 | 17.0° | 48.9° |
| C12 | C11 | C21 | C38 | 163.8° | 130.7° |
| C12 | C11 | C10 | H7 | 179.1° | 180.0° |
| C32 | N31 | C29 | C28 | 170.3° | 5.0° |
| C32 | N31 | C29 | N30 | 7.7° | 175.0° |
| N31 | C32 | H13 | H28 | 120.3° | 121.9° |
| N31 | C32 | C33 | H14 | 125.8° | 143.5° |
| N31 | C32 | C33 | H29 | 112.3° | 92.8° |
| N31 | C29 | C28 | N30 | 178.0° | 180.0° |
| N31 | C29 | C28 | C27 | 177.3° | 180.0° |
| N31 | C29 | N30 | C25 | 178.2° | 179.7° |
| C29 | N31 | C32 | H13 | 64.0° | 43.9° |
| N31 | C29 | C28 | H24 | 2.7° | 0.1° |
| C29 | N31 | C32 | H28 | 56.1° | 78.0° |
| N7 | C2 | C4 | C1 | 115.2° | 120.0° |
| N7 | C2 | C4 | H4 | 124.4° | 120.0° |
| N7 | C2 | C1 | H4 | 119.8° | 120.0° |
| C2 | N7 | C8 | C9 | 177.7° | 180.0° |
| N7 | C2 | C1 | H1 | 180.0° | 60.0° |
| N7 | C2 | C1 | H2 | 60.0° | 180.0° |
| N7 | C2 | C1 | H3 | 60.0° | 60.0° |
| C2 | N7 | C8 | H5 | 62.7° | 60.8° |
| C2 | N7 | C8 | H6 | 58.0° | 60.9° |
| N7 | C2 | C4 | H17 | 76.6° | 34.4° |
| C4 | C2 | C1 | H4 | 120.3° | 120.0° |
| C4 | C2 | N7 | C8 | 47.7° | 119.9° |
| C4 | C2 | C1 | H1 | 60.0° | 60.0° |
| C4 | C2 | C1 | H2 | 180.0° | 60.0° |
| C4 | C2 | C1 | H3 | 60.0° | 180.0° |
| C2 | C4 | C5 | H18 | 3.5° | 145.0° |
| C2 | C4 | C5 | H19 | 144.6° | 0.0° |
| C2 | C4 | C6 | H20 | 141.8° | 0.0° |
| C2 | C4 | C6 | H21 | 0.1° | 145.0° |
| C1 | C2 | N7 | C8 | 69.5° | 120.1° |
| C2 | C1 | H1 | H2 | 120.0° | 119.9° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | C4 | H17 | 38.6° | 154.4° |
| N7 | C8 | C9 | H5 | 119.6° | 119.3° |
| N7 | C8 | C9 | H6 | 119.6° | 119.2° |
| N7 | C8 | C9 | C10 | 179.3° | 180.0° |
| C8 | N7 | C2 | H4 | 171.4° | 0.1° |
| N7 | C8 | H5 | H6 | 121.1° | 121.6° |
| C29 | C28 | C27 | H24 | 180.0° | 179.9° |
| C28 | C29 | N30 | C25 | 0.0° | 0.3° |
| C29 | C28 | C27 | C26 | 1.3° | 0.0° |
| C29 | C28 | C27 | H12 | 178.7° | 179.7° |
| N30 | C29 | C28 | C27 | 0.7° | 0.1° |
| C29 | N30 | C25 | C26 | 0.2° | 0.6° |
| C29 | N30 | C25 | N24 | 179.0° | 180.0° |
| N30 | C29 | C28 | H24 | 179.3° | 180.0° |
| C8 | C9 | C10 | C11 | 180.0° | 180.0° |
| C9 | C8 | H5 | H6 | 121.1° | 121.5° |
| C8 | C9 | C10 | H7 | 0.0° | 0.1° |
| C9 | C10 | C11 | H7 | 180.0° | 179.9° |
| C9 | C10 | C11 | C21 | 179.5° | 180.0° |
| C10 | C9 | C8 | H5 | 61.1° | 60.7° |
| C10 | C9 | C8 | H6 | 59.7° | 60.8° |
| C10 | C11 | C21 | S22 | 162.5° | 131.1° |
| C10 | C11 | C21 | C38 | 16.7° | 49.3° |
| C10 | C11 | C12 | H8 | 176.1° | 180.0° |
| C11 | C21 | S22 | C38 | 179.4° | 179.7° |
| C11 | C21 | S22 | C23 | 179.6° | 180.0° |
| C11 | C21 | C38 | N37 | 178.6° | 179.8° |
| C11 | C21 | C38 | C39 | 0.1° | 0.0° |
| C21 | C11 | C10 | H7 | 0.5° | 0.0° |
| C21 | C11 | C12 | H8 | 3.5° | 0.0° |
| C28 | C27 | C26 | H12 | 180.0° | 179.8° |
| C28 | C27 | C26 | C25 | 1.2° | 0.3° |
| C28 | C27 | C26 | H23 | 178.8° | 179.8° |
| C21 | S22 | C23 | N24 | 178.9° | 180.0° |
| C21 | S22 | C23 | N37 | 0.2° | 0.0° |
| S22 | C21 | C38 | N37 | 2.1° | 0.5° |
| S22 | C21 | C38 | C39 | 179.4° | 179.7° |
| C23 | S22 | C21 | C38 | 1.0° | 0.3° |
| S22 | C23 | N24 | C25 | 7.5° | 174.3° |
| S22 | C23 | N24 | N37 | 178.5° | 180.0° |
| S22 | C23 | N37 | C38 | 1.5° | 0.3° |
| S22 | C23 | N24 | H22 | 172.5° | 5.7° |
| N30 | C25 | C26 | C27 | 0.5° | 0.6° |
| N30 | C25 | C26 | N24 | 178.8° | 179.4° |
| N30 | C25 | N24 | C23 | 0.8° | 6.6° |
| N30 | C25 | N24 | H22 | 179.2° | 173.4° |
| N30 | C25 | C26 | H23 | 179.5° | 179.4° |
| C21 | C38 | N37 | C23 | 2.4° | 0.6° |
| C21 | C38 | N37 | C39 | 178.5° | 179.8° |
| C21 | C38 | C39 | H25 | 178.4° | 85.1° |
| C21 | C38 | C39 | H26 | 58.4° | 154.9° |
| C21 | C38 | C39 | H27 | 61.6° | 34.9° |
| C27 | C26 | C25 | H23 | 180.0° | 179.9° |
| C27 | C26 | C25 | N24 | 178.3° | 180.0° |
| C26 | C27 | C28 | H24 | 178.7° | 179.9° |
| C26 | C25 | N24 | C23 | 177.9° | 174.0° |
| C25 | C26 | C27 | H12 | 178.8° | 179.9° |
| C26 | C25 | N24 | H22 | 2.1° | 6.0° |
| C25 | N24 | C23 | H22 | 180.0° | 180.0° |
| C25 | N24 | C23 | N37 | 174.0° | 5.6° |
| N24 | C25 | C26 | H23 | 1.7° | 0.0° |
| N24 | C23 | N37 | C38 | 179.8° | 179.7° |
| C23 | N37 | C38 | C39 | 179.0° | 179.6° |
| N37 | C23 | N24 | H22 | 6.0° | 174.4° |
| N37 | C38 | C39 | H25 | 0.0° | 94.7° |
| N37 | C38 | C39 | H26 | 120.0° | 25.3° |
| N37 | C38 | C39 | H27 | 120.0° | 145.3° |
| C38 | C39 | H25 | H26 | 120.0° | 120.0° |
| C38 | C39 | H25 | H27 | 120.0° | 120.0° |
| C38 | C39 | H26 | H27 | 120.0° | 120.0° |
| H1 | C1 | H2 | H3 | 119.9° | 120.1° |
| H1 | C1 | C2 | H4 | 60.2° | 180.0° |
| H2 | C1 | C2 | H4 | 59.8° | 60.0° |
| H3 | C1 | C2 | H4 | 179.8° | 60.0° |
| H4 | C2 | C4 | H17 | 159.0° | 85.6° |
| H9 | C20 | H10 | H11 | 120.0° | 120.0° |
| H12 | C27 | C26 | H23 | 1.2° | 0.0° |
| H12 | C27 | C28 | H24 | 1.3° | 0.2° |
| H13 | C32 | C33 | H14 | 5.9° | 97.5° |
| H13 | C32 | C33 | H29 | 127.8° | 26.2° |
| H14 | C33 | C34 | H15 | 115.6° | 24.2° |
| H14 | C33 | C34 | H16 | 5.8° | 98.5° |
| H14 | C33 | C32 | H28 | 114.3° | 24.5° |
| H15 | C34 | C33 | H29 | 6.2° | 148.0° |
| H16 | C34 | C33 | H29 | 127.7° | 25.3° |
| H17 | C4 | C5 | H18 | 143.4° | 0.0° |
| H17 | C4 | C5 | H19 | 2.3° | 145.0° |
| H17 | C4 | C6 | H20 | 1.5° | 145.0° |
| H17 | C4 | C6 | H21 | 143.2° | 0.0° |
| H18 | C5 | C6 | H20 | 141.4° | 145.1° |
| H18 | C5 | C6 | H21 | 0.3° | 0.0° |
| H19 | C5 | C6 | H20 | 0.2° | 0.0° |
| H19 | C5 | C6 | H21 | 141.4° | 145.1° |
| H25 | C39 | H26 | H27 | 120.0° | 120.0° |
| H28 | C32 | C33 | H29 | 7.6° | 148.2° |
