7YU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | S1 | sing | 1.81Å | 1.81Å | |
| S1 | C4 | sing | 1.76Å | 1.77Å | |
| O1 | C4 | doub | 1.22Å | 1.16Å | |
| C4 | C26 | sing | 1.47Å | 1.48Å | |
| C27 | C26 | doub | 1.36Å | 1.28Å | Aromatic |
| C27 | C35 | sing | 1.42Å | 1.34Å | Aromatic |
| C26 | N4 | sing | 1.38Å | 1.33Å | Aromatic |
| C28 | C29 | sing | 1.54Å | 1.50Å | |
| C28 | C30 | sing | 1.51Å | 1.54Å | |
| C35 | C30 | doub | 1.40Å | 1.48Å | Aromatic |
| C35 | C34 | sing | 1.41Å | 1.47Å | Aromatic |
| N4 | C34 | sing | 1.38Å | 1.43Å | Aromatic |
| C29 | N5 | sing | 1.47Å | 1.42Å | |
| C30 | C31 | sing | 1.38Å | 1.29Å | Aromatic |
| C34 | C33 | doub | 1.39Å | 1.34Å | Aromatic |
| C5 | O8 | sing | 1.43Å | 1.41Å | |
| C1 | C15 | sing | 1.53Å | 1.46Å | |
| C1 | C20 | sing | 1.52Å | 1.49Å | |
| O3 | C9 | sing | 1.36Å | 1.37Å | |
| C15 | C14 | sing | 1.55Å | 1.49Å | |
| C15 | C20 | sing | 1.54Å | 1.52Å | |
| C31 | N5 | sing | 1.40Å | 1.41Å | |
| C31 | C32 | doub | 1.41Å | 1.52Å | Aromatic |
| C8 | C9 | doub | 1.37Å | 1.43Å | Aromatic |
| C8 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| N5 | C17 | sing | 1.35Å | 1.43Å | |
| C33 | C32 | sing | 1.38Å | 1.35Å | Aromatic |
| C33 | O8 | sing | 1.36Å | 1.39Å | |
| C14 | N2 | sing | 1.49Å | 1.53Å | |
| C32 | O2 | sing | 1.36Å | 1.35Å | |
| C9 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| C19 | C25 | sing | 1.39Å | 1.47Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.21Å | Aromatic |
| C13 | C7 | sing | 1.42Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.41Å | 1.41Å | Aromatic |
| C7 | C6 | doub | 1.36Å | 1.28Å | Aromatic |
| C20 | C25 | sing | 1.50Å | 1.53Å | |
| C20 | C21 | sing | 1.52Å | 1.46Å | |
| C25 | C24 | doub | 1.39Å | 1.58Å | Aromatic |
| C17 | C18 | sing | 1.47Å | 1.48Å | |
| C17 | O6 | doub | 1.22Å | 1.16Å | |
| C10 | O4 | sing | 1.36Å | 1.39Å | |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C18 | N3 | sing | 1.37Å | 1.18Å | Aromatic |
| N2 | C21 | sing | 1.38Å | 1.45Å | |
| N2 | C16 | sing | 1.35Å | 1.38Å | |
| O4 | C2 | sing | 1.43Å | 1.41Å | |
| C12 | C11 | sing | 1.39Å | 1.32Å | Aromatic |
| C12 | N1 | sing | 1.38Å | 1.45Å | Aromatic |
| C6 | C16 | sing | 1.47Å | 1.50Å | |
| C6 | N1 | sing | 1.38Å | 1.31Å | Aromatic |
| C21 | C22 | doub | 1.34Å | 1.31Å | |
| C16 | O5 | doub | 1.22Å | 1.14Å | |
| N3 | C24 | sing | 1.37Å | 1.36Å | Aromatic |
| C24 | C23 | sing | 1.47Å | 1.46Å | |
| C22 | C23 | sing | 1.41Å | 1.50Å | |
| C23 | O7 | doub | 1.22Å | 1.35Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C22 | H2 | sing | 1.08Å | 1.08Å | |
| C28 | H3 | sing | 1.09Å | 1.10Å | |
| C28 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C1 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | H15 | sing | 1.09Å | 1.10Å | |
| O2 | H16 | sing | 0.97Å | 0.95Å | |
| O3 | H17 | sing | 0.97Å | 0.95Å | |
| N1 | H18 | sing | 0.97Å | 1.00Å | |
| C7 | H19 | sing | 1.08Å | 1.08Å | |
| C8 | H20 | sing | 1.08Å | 1.08Å | |
| C11 | H21 | sing | 1.08Å | 1.08Å | |
| C14 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| N3 | H25 | sing | 0.97Å | 1.00Å | |
| C19 | H26 | sing | 1.08Å | 1.08Å | |
| N4 | H28 | sing | 0.97Å | 1.00Å | |
| C27 | H29 | sing | 1.08Å | 1.08Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| C29 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | S1 | C4 | 99.9° | 100.0° |
| S1 | C3 | H10 | 109.5° | 109.5° |
| S1 | C3 | H11 | 109.5° | 109.4° |
| S1 | C3 | H12 | 109.5° | 109.5° |
| S1 | C4 | O1 | 123.6° | 120.1° |
| S1 | C4 | C26 | 111.5° | 120.0° |
| O1 | C4 | C26 | 125.0° | 120.0° |
| C4 | C26 | C27 | 131.3° | 125.4° |
| C4 | C26 | N4 | 121.7° | 125.4° |
| C26 | C27 | C35 | 115.8° | 107.8° |
| C27 | C26 | N4 | 107.0° | 109.2° |
| C26 | C27 | H29 | 122.1° | 126.1° |
| C27 | C35 | C30 | 143.6° | 133.1° |
| C27 | C35 | C34 | 104.0° | 107.0° |
| C35 | C27 | H29 | 122.1° | 126.1° |
| C26 | N4 | C34 | 111.1° | 108.7° |
| C26 | N4 | H28 | 124.5° | 125.7° |
| C29 | C28 | C30 | 99.0° | 104.6° |
| C28 | C29 | N5 | 103.7° | 105.0° |
| C29 | C28 | H3 | 112.0° | 110.4° |
| C29 | C28 | H4 | 112.0° | 110.4° |
| C28 | C29 | H30 | 110.9° | 110.3° |
| C28 | C29 | H31 | 110.9° | 110.4° |
| C28 | C30 | C35 | 128.7° | 130.9° |
| C28 | C30 | C31 | 109.4° | 108.7° |
| C30 | C28 | H3 | 112.0° | 110.4° |
| C30 | C28 | H4 | 112.0° | 110.4° |
| C30 | C35 | C34 | 112.4° | 119.9° |
| C35 | C30 | C31 | 121.4° | 120.4° |
| C35 | C34 | N4 | 102.2° | 107.4° |
| C35 | C34 | C33 | 126.7° | 119.3° |
| N4 | C34 | C33 | 131.2° | 133.3° |
| C34 | N4 | H28 | 124.5° | 125.6° |
| C29 | N5 | C31 | 106.9° | 110.0° |
| C29 | N5 | C17 | 128.4° | 125.0° |
| N5 | C29 | H30 | 110.9° | 110.3° |
| N5 | C29 | H31 | 110.9° | 110.3° |
| C30 | C31 | N5 | 110.2° | 111.7° |
| C30 | C31 | C32 | 122.0° | 119.4° |
| C34 | C33 | C32 | 118.6° | 120.1° |
| C34 | C33 | O8 | 120.1° | 119.9° |
| C5 | O8 | C33 | 114.6° | 117.0° |
| O8 | C5 | H13 | 109.5° | 109.5° |
| O8 | C5 | H14 | 109.5° | 109.4° |
| O8 | C5 | H15 | 109.5° | 109.5° |
| C15 | C1 | C20 | 62.0° | 60.4° |
| C1 | C15 | C14 | 143.3° | 117.0° |
| C1 | C15 | C20 | 59.8° | 59.6° |
| C1 | C15 | H1 | 108.5° | 120.9° |
| C15 | C1 | H5 | 119.6° | 117.5° |
| C15 | C1 | H6 | 119.6° | 117.5° |
| C1 | C20 | C15 | 58.2° | 60.1° |
| C1 | C20 | C25 | 93.0° | 119.0° |
| C1 | C20 | C21 | 147.4° | 118.3° |
| C20 | C1 | H5 | 119.7° | 117.5° |
| C20 | C1 | H6 | 119.7° | 117.5° |
| O3 | C9 | C8 | 121.8° | 119.8° |
| O3 | C9 | C10 | 115.4° | 119.8° |
| C9 | O3 | H17 | 109.5° | 114.1° |
| C14 | C15 | C20 | 106.1° | 102.8° |
| C15 | C14 | N2 | 104.2° | 103.3° |
| C14 | C15 | H1 | 108.1° | 118.3° |
| C15 | C14 | H22 | 110.8° | 110.6° |
| C15 | C14 | H23 | 110.8° | 110.7° |
| C15 | C20 | C25 | 129.8° | 121.2° |
| C15 | C20 | C21 | 111.4° | 104.8° |
| C20 | C15 | H1 | 107.8° | 123.2° |
| N5 | C31 | C32 | 127.7° | 128.9° |
| C31 | N5 | C17 | 124.0° | 125.0° |
| C31 | C32 | C33 | 118.7° | 120.8° |
| C31 | C32 | O2 | 122.0° | 119.6° |
| C9 | C8 | C13 | 116.4° | 119.9° |
| C8 | C9 | C10 | 122.7° | 120.4° |
| C9 | C8 | H20 | 121.8° | 120.0° |
| C8 | C13 | C7 | 141.7° | 133.2° |
| C8 | C13 | C12 | 116.7° | 119.8° |
| C13 | C8 | H20 | 121.8° | 120.1° |
| N5 | C17 | C18 | 123.3° | 120.0° |
| N5 | C17 | O6 | 121.8° | 120.0° |
| C32 | C33 | O8 | 121.2° | 120.0° |
| C33 | C32 | O2 | 119.1° | 119.6° |
| C14 | N2 | C21 | 111.9° | 104.6° |
| C14 | N2 | C16 | 126.0° | 127.7° |
| N2 | C14 | H22 | 110.8° | 110.7° |
| N2 | C14 | H23 | 110.8° | 110.7° |
| C32 | O2 | H16 | 109.5° | 114.0° |
| C9 | C10 | O4 | 117.6° | 119.7° |
| C9 | C10 | C11 | 119.9° | 120.5° |
| C25 | C19 | C18 | 110.0° | 107.4° |
| C19 | C25 | C20 | 145.4° | 134.2° |
| C19 | C25 | C24 | 96.1° | 107.7° |
| C25 | C19 | H26 | 125.0° | 126.3° |
| C19 | C18 | C17 | 124.6° | 125.9° |
| C19 | C18 | N3 | 119.3° | 108.2° |
| C18 | C19 | H26 | 125.0° | 126.3° |
| C7 | C13 | C12 | 101.5° | 107.0° |
| C13 | C7 | C6 | 115.9° | 107.8° |
| C13 | C7 | H19 | 122.0° | 126.1° |
| C13 | C12 | C11 | 127.4° | 119.5° |
| C13 | C12 | N1 | 106.5° | 107.4° |
| C7 | C6 | C16 | 134.8° | 125.4° |
| C7 | C6 | N1 | 108.2° | 109.1° |
| C6 | C7 | H19 | 122.0° | 126.2° |
| C25 | C20 | C21 | 113.0° | 118.7° |
| C20 | C25 | C24 | 118.5° | 118.1° |
| C20 | C21 | N2 | 104.1° | 106.0° |
| C20 | C21 | C22 | 130.9° | 119.2° |
| C25 | C24 | N3 | 103.7° | 107.8° |
| C25 | C24 | C23 | 119.0° | 119.6° |
| C18 | C17 | O6 | 114.9° | 120.0° |
| C17 | C18 | N3 | 116.0° | 125.9° |
| O4 | C10 | C11 | 122.4° | 119.8° |
| C10 | O4 | C2 | 119.7° | 117.0° |
| C10 | C11 | C12 | 116.7° | 119.9° |
| C10 | C11 | H21 | 121.7° | 120.1° |
| C18 | N3 | C24 | 110.8° | 108.8° |
| C18 | N3 | H25 | 124.6° | 125.6° |
| C21 | N2 | C16 | 122.0° | 127.7° |
| N2 | C21 | C22 | 122.4° | 134.7° |
| N2 | C16 | C6 | 118.8° | 120.0° |
| N2 | C16 | O5 | 122.1° | 120.0° |
| O4 | C2 | H7 | 109.5° | 109.5° |
| O4 | C2 | H8 | 109.5° | 109.5° |
| O4 | C2 | H9 | 109.5° | 109.5° |
| C11 | C12 | N1 | 126.1° | 133.0° |
| C12 | C11 | H21 | 121.6° | 120.0° |
| C12 | N1 | C6 | 107.8° | 108.7° |
| C12 | N1 | H18 | 126.1° | 125.7° |
| C16 | C6 | N1 | 116.8° | 125.5° |
| C6 | C16 | O5 | 118.7° | 120.0° |
| C6 | N1 | H18 | 126.1° | 125.6° |
| C21 | C22 | C23 | 119.3° | 121.3° |
| C21 | C22 | H2 | 120.3° | 119.4° |
| N3 | C24 | C23 | 137.3° | 132.5° |
| C24 | N3 | H25 | 124.6° | 125.6° |
| C24 | C23 | C22 | 118.4° | 121.8° |
| C24 | C23 | O7 | 117.2° | 119.1° |
| C22 | C23 | O7 | 124.2° | 119.1° |
| C23 | C22 | H2 | 120.4° | 119.3° |
| H3 | C28 | H4 | 109.5° | 110.4° |
| H5 | C1 | H6 | 109.5° | 115.5° |
| H7 | C2 | H8 | 109.4° | 109.5° |
| H7 | C2 | H9 | 109.4° | 109.5° |
| H8 | C2 | H9 | 109.4° | 109.4° |
| H10 | C3 | H11 | 109.5° | 109.5° |
| H10 | C3 | H12 | 109.5° | 109.5° |
| H11 | C3 | H12 | 109.5° | 109.5° |
| H13 | C5 | H14 | 109.5° | 109.5° |
| H13 | C5 | H15 | 109.4° | 109.5° |
| H14 | C5 | H15 | 109.5° | 109.5° |
| H22 | C14 | H23 | 109.5° | 110.7° |
| H30 | C29 | H31 | 109.4° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | S1 | C4 | O1 | 1.3° | 0.1° |
| C3 | S1 | C4 | C26 | 178.2° | 180.0° |
| S1 | C3 | H10 | H11 | 120.0° | 120.0° |
| S1 | C3 | H10 | H12 | 120.0° | 120.0° |
| S1 | C3 | H11 | H12 | 120.0° | 120.0° |
| S1 | C4 | O1 | C26 | 179.4° | 179.9° |
| S1 | C4 | C26 | C27 | 11.1° | 179.7° |
| S1 | C4 | C26 | N4 | 170.5° | 0.1° |
| C4 | S1 | C3 | H10 | 180.0° | 180.0° |
| C4 | S1 | C3 | H11 | 60.0° | 60.0° |
| C4 | S1 | C3 | H12 | 60.0° | 60.0° |
| O1 | C4 | C26 | C27 | 169.5° | 0.2° |
| O1 | C4 | C26 | N4 | 8.9° | 180.0° |
| C4 | C26 | C27 | N4 | 178.6° | 179.8° |
| C4 | C26 | C27 | C35 | 179.5° | 179.8° |
| C4 | C26 | N4 | C34 | 179.2° | 179.9° |
| C4 | C26 | N4 | H28 | 0.8° | 0.0° |
| C4 | C26 | C27 | H29 | 0.6° | 0.3° |
| C26 | C27 | C35 | H29 | 180.0° | 180.0° |
| C26 | C27 | C35 | C30 | 179.7° | 180.0° |
| C26 | C27 | C35 | C34 | 0.9° | 0.3° |
| C27 | C26 | N4 | C34 | 0.4° | 0.3° |
| C27 | C26 | N4 | H28 | 179.6° | 179.8° |
| C35 | C27 | C26 | N4 | 0.9° | 0.0° |
| C27 | C35 | C30 | C28 | 6.2° | 0.1° |
| C27 | C35 | C30 | C34 | 178.7° | 179.7° |
| C27 | C35 | C34 | N4 | 0.6° | 0.4° |
| C27 | C35 | C30 | C31 | 177.6° | 180.0° |
| C27 | C35 | C34 | C33 | 179.1° | 180.0° |
| C26 | N4 | C34 | C35 | 0.1° | 0.4° |
| C26 | N4 | C34 | H28 | 180.0° | 180.0° |
| C26 | N4 | C34 | C33 | 179.6° | 179.9° |
| N4 | C26 | C27 | H29 | 179.2° | 180.0° |
| C29 | C28 | C30 | H3 | 118.2° | 118.8° |
| C29 | C28 | C30 | H4 | 118.3° | 118.8° |
| C29 | C28 | C30 | C35 | 166.9° | 180.0° |
| C28 | C29 | N5 | H30 | 119.1° | 118.8° |
| C28 | C29 | N5 | H31 | 119.1° | 118.9° |
| C29 | C28 | C30 | C31 | 20.8° | 0.1° |
| C28 | C29 | N5 | C31 | 31.6° | 0.0° |
| C28 | C29 | N5 | C17 | 139.1° | 180.0° |
| C29 | C28 | H3 | H4 | 124.9° | 122.4° |
| C28 | C29 | H30 | H31 | 122.7° | 122.3° |
| C28 | C30 | C35 | C31 | 171.4° | 179.9° |
| C28 | C30 | C35 | C34 | 175.1° | 179.7° |
| C30 | C28 | C29 | N5 | 30.6° | 0.0° |
| C28 | C30 | C31 | N5 | 2.4° | 0.1° |
| C28 | C30 | C31 | C32 | 178.8° | 180.0° |
| C30 | C28 | H3 | H4 | 124.9° | 122.4° |
| C30 | C28 | C29 | H30 | 149.7° | 118.9° |
| C30 | C28 | C29 | H31 | 88.5° | 118.8° |
| C30 | C35 | C34 | N4 | 179.8° | 179.8° |
| C30 | C35 | C34 | C33 | 0.1° | 0.3° |
| C35 | C30 | C31 | N5 | 175.3° | 180.0° |
| C35 | C30 | C31 | C32 | 5.9° | 0.1° |
| C35 | C30 | C28 | H3 | 48.7° | 61.3° |
| C35 | C30 | C28 | H4 | 74.8° | 61.1° |
| C30 | C35 | C27 | H29 | 0.3° | 0.0° |
| C35 | C34 | N4 | C33 | 179.7° | 179.5° |
| C34 | C35 | C30 | C31 | 3.7° | 0.4° |
| C35 | C34 | C33 | C32 | 1.5° | 0.1° |
| C35 | C34 | C33 | O8 | 174.4° | 179.7° |
| C35 | C34 | N4 | H28 | 179.9° | 179.6° |
| C34 | C35 | C27 | H29 | 179.1° | 179.7° |
| N4 | C34 | C33 | C32 | 178.9° | 179.3° |
| N4 | C34 | C33 | O8 | 5.2° | 0.3° |
| C29 | N5 | C31 | C30 | 18.8° | 0.0° |
| C29 | N5 | C31 | C17 | 171.3° | 180.0° |
| C29 | N5 | C31 | C32 | 159.9° | 180.0° |
| C29 | N5 | C17 | C18 | 9.8° | 5.2° |
| C29 | N5 | C17 | O6 | 173.8° | 174.8° |
| N5 | C29 | C28 | H3 | 148.8° | 118.8° |
| N5 | C29 | C28 | H4 | 87.7° | 118.8° |
| N5 | C29 | H30 | H31 | 122.7° | 122.2° |
| C30 | C31 | N5 | C32 | 178.7° | 179.9° |
| C30 | C31 | N5 | C17 | 152.5° | 180.0° |
| C30 | C31 | C32 | C33 | 4.3° | 0.3° |
| C30 | C31 | C32 | O2 | 170.7° | 180.0° |
| C31 | C30 | C28 | H3 | 139.1° | 118.8° |
| C31 | C30 | C28 | H4 | 97.4° | 118.8° |
| C34 | C33 | O8 | C5 | 78.6° | 90.4° |
| C34 | C33 | C32 | C31 | 0.5° | 0.4° |
| C34 | C33 | C32 | O8 | 175.8° | 179.6° |
| C34 | C33 | C32 | O2 | 174.7° | 179.9° |
| C33 | C34 | N4 | H28 | 0.5° | 0.1° |
| C5 | O8 | C33 | C32 | 97.1° | 90.0° |
| O8 | C5 | H13 | H14 | 120.0° | 120.0° |
| O8 | C5 | H13 | H15 | 120.0° | 120.0° |
| O8 | C5 | H14 | H15 | 120.0° | 120.0° |
| C15 | C1 | C20 | H5 | 110.0° | 107.6° |
| C15 | C1 | C20 | H6 | 110.0° | 107.6° |
| C1 | C15 | C14 | C20 | 60.8° | 62.1° |
| C1 | C15 | C14 | H1 | 176.3° | 158.3° |
| C1 | C15 | C20 | H1 | 101.5° | 109.1° |
| C1 | C15 | C14 | N2 | 53.8° | 38.7° |
| C15 | C1 | C20 | C25 | 136.2° | 111.4° |
| C15 | C1 | C20 | C21 | 80.1° | 91.3° |
| C15 | C1 | H5 | H6 | 143.6° | 145.5° |
| C1 | C15 | C14 | H22 | 65.3° | 79.7° |
| C1 | C15 | C14 | H23 | 173.0° | 157.2° |
| C1 | C20 | C25 | C19 | 20.7° | 32.2° |
| C1 | C20 | C25 | C21 | 159.7° | 157.1° |
| C1 | C20 | C25 | C24 | 157.9° | 147.8° |
| C1 | C20 | C21 | N2 | 53.0° | 37.0° |
| C1 | C20 | C21 | C22 | 145.8° | 145.6° |
| C20 | C1 | H5 | H6 | 143.7° | 145.5° |
| O3 | C9 | C8 | C10 | 176.0° | 180.0° |
| O3 | C9 | C8 | C13 | 179.0° | 180.0° |
| O3 | C9 | C10 | O4 | 3.2° | 0.1° |
| O3 | C9 | C10 | C11 | 178.0° | 179.7° |
| O3 | C9 | C8 | H20 | 1.0° | 0.1° |
| C14 | C15 | C20 | H1 | 115.7° | 136.9° |
| C15 | C14 | N2 | H22 | 119.1° | 118.4° |
| C15 | C14 | N2 | H23 | 119.1° | 118.5° |
| C14 | C15 | C20 | C25 | 153.1° | 138.4° |
| C14 | C15 | C20 | C21 | 2.3° | 0.5° |
| C15 | C14 | N2 | C21 | 14.6° | 41.7° |
| C15 | C14 | N2 | C16 | 161.4° | 138.3° |
| C14 | C15 | C1 | H5 | 174.0° | 163.0° |
| C14 | C15 | C1 | H6 | 34.1° | 18.2° |
| C15 | C14 | H22 | H23 | 122.4° | 123.0° |
| C20 | C15 | C14 | N2 | 6.9° | 23.4° |
| C15 | C20 | C25 | C19 | 29.2° | 38.4° |
| C15 | C20 | C25 | C21 | 150.4° | 132.2° |
| C15 | C20 | C25 | C24 | 152.2° | 141.6° |
| C15 | C20 | C21 | N2 | 11.0° | 26.7° |
| C15 | C20 | C21 | C22 | 150.2° | 150.8° |
| C20 | C15 | C14 | H22 | 126.1° | 141.9° |
| C20 | C15 | C14 | H23 | 112.2° | 95.0° |
| N5 | C31 | C32 | C33 | 177.1° | 179.6° |
| N5 | C31 | C32 | O2 | 7.9° | 0.1° |
| C31 | N5 | C17 | C18 | 179.1° | 174.8° |
| C31 | N5 | C17 | O6 | 4.5° | 5.2° |
| C31 | N5 | C29 | H30 | 150.7° | 118.8° |
| C31 | N5 | C29 | H31 | 87.4° | 118.9° |
| C32 | C31 | N5 | C17 | 28.8° | 0.1° |
| C31 | C32 | C33 | O2 | 175.2° | 179.7° |
| C31 | C32 | C33 | O8 | 176.3° | 180.0° |
| C31 | C32 | O2 | H16 | 32.4° | 90.0° |
| C9 | C8 | C13 | H20 | 180.0° | 179.9° |
| C9 | C8 | C13 | C7 | 179.5° | 179.8° |
| C9 | C8 | C13 | C12 | 2.6° | 0.3° |
| C8 | C9 | C10 | O4 | 179.5° | 180.0° |
| C8 | C9 | C10 | C11 | 1.8° | 0.3° |
| C8 | C9 | O3 | H17 | 180.0° | 90.0° |
| C13 | C8 | C9 | C10 | 3.0° | 0.0° |
| C8 | C13 | C7 | C12 | 177.2° | 179.6° |
| C8 | C13 | C7 | C6 | 178.7° | 179.9° |
| C8 | C13 | C12 | C11 | 1.3° | 0.3° |
| C8 | C13 | C12 | N1 | 177.3° | 180.0° |
| C8 | C13 | C7 | H19 | 1.3° | 0.5° |
| N5 | C17 | C18 | C19 | 26.8° | 179.9° |
| N5 | C17 | C18 | O6 | 176.6° | 180.0° |
| N5 | C17 | C18 | N3 | 154.9° | 0.0° |
| C17 | N5 | C29 | H30 | 20.0° | 61.1° |
| C17 | N5 | C29 | H31 | 101.8° | 61.1° |
| C33 | C32 | O2 | H16 | 152.6° | 89.7° |
| O8 | C33 | C32 | O2 | 1.1° | 0.3° |
| C33 | O8 | C5 | H13 | 180.0° | 60.0° |
| C33 | O8 | C5 | H14 | 60.0° | 180.0° |
| C33 | O8 | C5 | H15 | 60.0° | 60.0° |
| C14 | N2 | C21 | C20 | 15.8° | 42.8° |
| C14 | N2 | C21 | C16 | 176.1° | 180.0° |
| C14 | N2 | C16 | C6 | 6.6° | 6.6° |
| C14 | N2 | C21 | C22 | 147.4° | 134.0° |
| C14 | N2 | C16 | O5 | 179.6° | 173.4° |
| N2 | C14 | C15 | H1 | 122.4° | 162.9° |
| N2 | C14 | H22 | H23 | 122.5° | 123.1° |
| C9 | C10 | O4 | C11 | 178.8° | 179.7° |
| C9 | C10 | O4 | C2 | 173.9° | 179.7° |
| C9 | C10 | C11 | C12 | 0.2° | 0.3° |
| C10 | C9 | O3 | H17 | 3.7° | 90.0° |
| C10 | C9 | C8 | H20 | 177.0° | 179.9° |
| C9 | C10 | C11 | H21 | 179.8° | 179.7° |
| C25 | C19 | C18 | H26 | 180.0° | 179.9° |
| C19 | C25 | C20 | C24 | 178.6° | 180.0° |
| C19 | C25 | C20 | C21 | 179.6° | 170.6° |
| C25 | C19 | C18 | C17 | 177.9° | 180.0° |
| C25 | C19 | C18 | N3 | 0.4° | 0.1° |
| C19 | C25 | C24 | N3 | 0.6° | 0.8° |
| C19 | C25 | C24 | C23 | 178.9° | 179.8° |
| C18 | C19 | C25 | C20 | 178.5° | 179.6° |
| C18 | C19 | C25 | C24 | 0.2° | 0.5° |
| C19 | C18 | C17 | N3 | 178.3° | 179.9° |
| C19 | C18 | C17 | O6 | 149.9° | 0.0° |
| C19 | C18 | N3 | C24 | 0.9° | 0.6° |
| C19 | C18 | N3 | H25 | 179.1° | 179.4° |
| C13 | C7 | C6 | H19 | 180.0° | 179.4° |
| C7 | C13 | C12 | C11 | 179.3° | 179.9° |
| C7 | C13 | C12 | N1 | 0.7° | 0.4° |
| C13 | C7 | C6 | C16 | 177.4° | 179.8° |
| C13 | C7 | C6 | N1 | 3.3° | 0.5° |
| C7 | C13 | C8 | H20 | 0.5° | 0.3° |
| C12 | C13 | C7 | C6 | 1.5° | 0.5° |
| C13 | C12 | C11 | C10 | 0.0° | 0.0° |
| C13 | C12 | C11 | N1 | 178.4° | 179.6° |
| C13 | C12 | N1 | C6 | 2.6° | 0.1° |
| C13 | C12 | N1 | H18 | 177.3° | 180.0° |
| C12 | C13 | C7 | H19 | 178.4° | 180.0° |
| C12 | C13 | C8 | H20 | 177.4° | 179.8° |
| C13 | C12 | C11 | H21 | 180.0° | 180.0° |
| C7 | C6 | C16 | N2 | 15.0° | 171.9° |
| C7 | C6 | N1 | C12 | 3.5° | 0.3° |
| C7 | C6 | C16 | N1 | 173.7° | 179.6° |
| C7 | C6 | C16 | O5 | 158.3° | 8.1° |
| C7 | C6 | N1 | H18 | 176.4° | 179.6° |
| C25 | C20 | C21 | N2 | 166.9° | 165.8° |
| C25 | C20 | C21 | C22 | 5.7° | 11.6° |
| C20 | C25 | C24 | N3 | 178.5° | 179.2° |
| C20 | C25 | C24 | C23 | 1.9° | 0.2° |
| C25 | C20 | C15 | H1 | 37.4° | 1.4° |
| C25 | C20 | C1 | H5 | 26.3° | 3.8° |
| C25 | C20 | C1 | H6 | 113.8° | 141.0° |
| C20 | C25 | C19 | H26 | 1.5° | 0.5° |
| C21 | C20 | C25 | C24 | 1.8° | 9.3° |
| C20 | C21 | N2 | C22 | 163.3° | 176.8° |
| C20 | C21 | N2 | C16 | 160.3° | 137.2° |
| C20 | C21 | C22 | C23 | 12.3° | 4.3° |
| C21 | C20 | C15 | H1 | 113.3° | 136.4° |
| C20 | C21 | C22 | H2 | 167.7° | 175.6° |
| C21 | C20 | C1 | H5 | 170.0° | 161.0° |
| C21 | C20 | C1 | H6 | 29.9° | 16.2° |
| C25 | C24 | N3 | C18 | 0.9° | 0.8° |
| C25 | C24 | N3 | C23 | 179.4° | 179.3° |
| C25 | C24 | C23 | C22 | 4.0° | 7.5° |
| C25 | C24 | C23 | O7 | 179.1° | 172.5° |
| C25 | C24 | N3 | H25 | 179.1° | 179.1° |
| C24 | C25 | C19 | H26 | 179.8° | 179.5° |
| C17 | C18 | N3 | C24 | 177.5° | 179.5° |
| C17 | C18 | N3 | H25 | 2.5° | 0.5° |
| C17 | C18 | C19 | H26 | 2.2° | 0.1° |
| O6 | C17 | C18 | N3 | 28.4° | 180.0° |
| O4 | C10 | C11 | C12 | 178.9° | 180.0° |
| C10 | O4 | C2 | H7 | 180.0° | 180.0° |
| C10 | O4 | C2 | H8 | 60.0° | 59.9° |
| C10 | O4 | C2 | H9 | 60.0° | 60.0° |
| O4 | C10 | C11 | H21 | 1.1° | 0.0° |
| C11 | C10 | O4 | C2 | 4.9° | 0.0° |
| C10 | C11 | C12 | H21 | 180.0° | 180.0° |
| C10 | C11 | C12 | N1 | 178.4° | 179.6° |
| C18 | N3 | C24 | H25 | 180.0° | 180.0° |
| C18 | N3 | C24 | C23 | 178.5° | 179.8° |
| N3 | C18 | C19 | H26 | 179.6° | 180.0° |
| C21 | N2 | C16 | C6 | 177.9° | 173.4° |
| C21 | N2 | C16 | O5 | 4.8° | 6.6° |
| N2 | C21 | C22 | C23 | 170.6° | 172.2° |
| N2 | C21 | C22 | H2 | 9.4° | 7.9° |
| C21 | N2 | C14 | H22 | 133.7° | 160.1° |
| C21 | N2 | C14 | H23 | 104.6° | 76.8° |
| N2 | C16 | C6 | O5 | 173.3° | 180.0° |
| N2 | C16 | C6 | N1 | 171.3° | 8.5° |
| C16 | N2 | C21 | C22 | 36.4° | 46.0° |
| C16 | N2 | C14 | H22 | 42.2° | 19.9° |
| C16 | N2 | C14 | H23 | 79.5° | 103.2° |
| O4 | C2 | H7 | H8 | 120.0° | 120.0° |
| O4 | C2 | H7 | H9 | 120.0° | 120.0° |
| O4 | C2 | H8 | H9 | 120.0° | 120.0° |
| C11 | C12 | N1 | C6 | 178.7° | 179.7° |
| C11 | C12 | N1 | H18 | 1.3° | 0.4° |
| C12 | N1 | C6 | C16 | 178.8° | 179.9° |
| C12 | N1 | C6 | H18 | 180.0° | 179.9° |
| N1 | C12 | C11 | H21 | 1.6° | 0.4° |
| C16 | C6 | N1 | H18 | 1.2° | 0.0° |
| C16 | C6 | C7 | H19 | 2.6° | 0.4° |
| N1 | C6 | C16 | O5 | 15.4° | 171.5° |
| N1 | C6 | C7 | H19 | 176.6° | 179.9° |
| C21 | C22 | C23 | C24 | 10.6° | 5.3° |
| C21 | C22 | C23 | H2 | 180.0° | 179.9° |
| C21 | C22 | C23 | O7 | 174.6° | 174.7° |
| N3 | C24 | C23 | C22 | 175.3° | 173.3° |
| N3 | C24 | C23 | O7 | 0.1° | 6.8° |
| C24 | C23 | C22 | O7 | 174.8° | 179.9° |
| C24 | C23 | C22 | H2 | 169.4° | 174.8° |
| C23 | C24 | N3 | H25 | 1.6° | 0.2° |
| O7 | C23 | C22 | H2 | 5.4° | 5.3° |
| H1 | C15 | C1 | H5 | 9.7° | 5.2° |
| H1 | C15 | C1 | H6 | 149.7° | 139.5° |
| H1 | C15 | C14 | H22 | 118.5° | 78.6° |
| H1 | C15 | C14 | H23 | 3.2° | 44.5° |
| H3 | C28 | C29 | H30 | 92.1° | 122.3° |
| H3 | C28 | C29 | H31 | 29.7° | 0.1° |
| H4 | C28 | C29 | H30 | 31.4° | 0.1° |
| H4 | C28 | C29 | H31 | 153.2° | 122.3° |
| H7 | C2 | H8 | H9 | 119.9° | 120.0° |
| H10 | C3 | H11 | H12 | 120.0° | 120.0° |
| H13 | C5 | H14 | H15 | 120.0° | 120.0° |
