PI0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C4 | sing | 1.53Å | 1.52Å | |
| C1 | C5 | sing | 1.53Å | 1.53Å | |
| C1 | C3 | sing | 1.53Å | 1.55Å | |
| C2 | C20 | sing | 1.51Å | 1.54Å | |
| C2 | O2 | doub | 1.21Å | 1.23Å | |
| C2 | N3 | sing | 1.35Å | 1.36Å | |
| O3 | S1 | doub | 1.42Å | 1.42Å | |
| C4 | C6 | sing | 1.53Å | 1.51Å | |
| C7 | C8 | doub | 1.38Å | 1.41Å | Aromatic |
| C7 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | S1 | sing | 1.81Å | 1.74Å | |
| C9 | C8 | sing | 1.51Å | 1.49Å | |
| C10 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C15 | O1 | doub | 1.21Å | 1.23Å | |
| C15 | N17 | sing | 1.35Å | 1.36Å | |
| C15 | C5 | sing | 1.51Å | 1.51Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C22 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C28 | sing | 1.51Å | 1.52Å | |
| C18 | N17 | sing | 1.47Å | 1.46Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C22 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | C22 | sing | 1.48Å | 1.47Å | |
| C26 | N1 | doub | 1.30Å | 1.33Å | |
| C26 | N2 | sing | 1.38Å | 1.33Å | |
| C28 | O30 | doub | 1.21Å | 1.24Å | |
| C28 | N31 | sing | 1.35Å | 1.35Å | |
| C32 | N31 | sing | 1.46Å | 1.45Å | |
| C32 | C25 | sing | 1.51Å | 1.49Å | |
| N4 | C5 | sing | 1.47Å | 1.46Å | |
| N4 | S1 | sing | 1.66Å | 1.70Å | |
| S1 | O4 | doub | 1.42Å | 1.42Å | |
| C8 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C13 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C6 | H6B | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| N17 | HN17 | sing | 0.97Å | 1.00Å | |
| N31 | HN31 | sing | 0.97Å | 1.00Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| N3 | HN3A | sing | 0.97Å | 1.00Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| N2 | HN2A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | C1 | C5 | 106.9° | 109.5° |
| C4 | C1 | C3 | 112.4° | 109.4° |
| C1 | C4 | C6 | 109.4° | 109.4° |
| C4 | C1 | H1 | 110.9° | 109.5° |
| C1 | C4 | H4 | 109.5° | 109.5° |
| C1 | C4 | H4A | 109.5° | 109.5° |
| C5 | C1 | C3 | 114.0° | 109.4° |
| C1 | C5 | C15 | 112.7° | 109.5° |
| C1 | C5 | N4 | 107.4° | 109.4° |
| C5 | C1 | H1 | 109.3° | 109.5° |
| C1 | C5 | H5 | 108.4° | 109.4° |
| C3 | C1 | H1 | 103.3° | 109.5° |
| C1 | C3 | H3 | 109.5° | 109.5° |
| C1 | C3 | H3A | 109.5° | 109.4° |
| C1 | C3 | H3B | 109.4° | 109.5° |
| C20 | C2 | O2 | 120.3° | 120.0° |
| C20 | C2 | N3 | 115.7° | 120.0° |
| C2 | C20 | C19 | 107.5° | 109.4° |
| C2 | C20 | H20 | 110.1° | 109.5° |
| C2 | C20 | H20A | 110.6° | 109.5° |
| O2 | C2 | N3 | 123.8° | 120.0° |
| C2 | N3 | HN3 | 109.6° | 120.0° |
| C2 | N3 | HN3A | 125.2° | 120.0° |
| O3 | S1 | C9 | 113.7° | 110.5° |
| O3 | S1 | N4 | 100.5° | 104.3° |
| O3 | S1 | O4 | 119.8° | 121.0° |
| C6 | C4 | H4 | 109.5° | 109.4° |
| C6 | C4 | H4A | 109.5° | 109.5° |
| C4 | C6 | H6 | 109.5° | 109.5° |
| C4 | C6 | H6A | 109.5° | 109.5° |
| C4 | C6 | H6B | 109.5° | 109.4° |
| C8 | C7 | C12 | 120.5° | 120.0° |
| C7 | C8 | C9 | 120.2° | 120.0° |
| C7 | C8 | C13 | 119.8° | 120.0° |
| C8 | C7 | H7 | 119.7° | 120.0° |
| C7 | C12 | C10 | 119.7° | 120.0° |
| C12 | C7 | H7 | 119.7° | 120.0° |
| C7 | C12 | H12 | 120.2° | 120.0° |
| S1 | C9 | C8 | 116.3° | 109.5° |
| C9 | S1 | N4 | 107.6° | 104.4° |
| C9 | S1 | O4 | 109.7° | 110.6° |
| S1 | C9 | H9 | 107.3° | 109.5° |
| S1 | C9 | H9A | 105.7° | 109.5° |
| C9 | C8 | C13 | 120.0° | 120.0° |
| C8 | C9 | H9 | 107.2° | 109.5° |
| C8 | C9 | H9A | 105.7° | 109.4° |
| C12 | C10 | C11 | 119.9° | 120.0° |
| C12 | C10 | H10 | 120.0° | 120.0° |
| C10 | C12 | H12 | 120.1° | 120.0° |
| C10 | C11 | C13 | 120.4° | 120.0° |
| C11 | C10 | H10 | 120.1° | 120.0° |
| C10 | C11 | H11 | 119.8° | 120.0° |
| O1 | C15 | N17 | 127.3° | 119.9° |
| O1 | C15 | C5 | 120.0° | 120.0° |
| N17 | C15 | C5 | 112.7° | 120.0° |
| C15 | N17 | C18 | 119.9° | 120.0° |
| C15 | N17 | HN17 | 120.1° | 120.0° |
| C15 | C5 | N4 | 108.6° | 109.5° |
| C15 | C5 | H5 | 107.3° | 109.5° |
| C17 | C16 | C25 | 120.4° | 120.1° |
| C16 | C17 | C22 | 120.9° | 119.9° |
| C17 | C16 | H16 | 119.8° | 119.9° |
| C16 | C17 | H17 | 119.5° | 120.1° |
| C16 | C25 | C24 | 119.3° | 120.3° |
| C16 | C25 | C32 | 119.2° | 119.8° |
| C25 | C16 | H16 | 119.8° | 120.0° |
| C17 | C22 | C23 | 119.0° | 119.7° |
| C17 | C22 | C26 | 119.8° | 120.2° |
| C22 | C17 | H17 | 119.5° | 120.0° |
| C19 | C18 | C28 | 110.5° | 109.5° |
| C19 | C18 | N17 | 112.9° | 109.5° |
| C18 | C19 | C20 | 114.4° | 109.4° |
| C19 | C18 | H18 | 105.7° | 109.5° |
| C18 | C19 | H19 | 107.8° | 109.5° |
| C18 | C19 | H19A | 106.7° | 109.5° |
| C28 | C18 | N17 | 107.2° | 109.5° |
| C18 | C28 | O30 | 121.8° | 120.0° |
| C18 | C28 | N31 | 111.9° | 120.0° |
| C28 | C18 | H18 | 111.5° | 109.5° |
| N17 | C18 | H18 | 109.1° | 109.4° |
| C18 | N17 | HN17 | 120.0° | 120.0° |
| C20 | C19 | H19 | 107.9° | 109.5° |
| C20 | C19 | H19A | 106.8° | 109.4° |
| C19 | C20 | H20 | 110.1° | 109.5° |
| C19 | C20 | H20A | 110.6° | 109.5° |
| C24 | C23 | C22 | 120.0° | 119.9° |
| C23 | C24 | C25 | 120.4° | 120.1° |
| C24 | C23 | H23 | 120.0° | 120.0° |
| C23 | C24 | H24 | 119.8° | 120.0° |
| C23 | C22 | C26 | 121.2° | 120.1° |
| C22 | C23 | H23 | 120.0° | 120.1° |
| C24 | C25 | C32 | 121.5° | 119.9° |
| C25 | C24 | H24 | 119.8° | 119.9° |
| C22 | C26 | N1 | 121.1° | 120.0° |
| C22 | C26 | N2 | 122.0° | 120.0° |
| N1 | C26 | N2 | 116.8° | 120.0° |
| C26 | N1 | HN1 | 109.1° | 120.0° |
| C26 | N2 | HN2 | 109.1° | 120.0° |
| C26 | N2 | HN2A | 125.5° | 120.0° |
| O30 | C28 | N31 | 126.2° | 119.9° |
| C28 | N31 | C32 | 120.8° | 120.0° |
| C28 | N31 | HN31 | 119.6° | 120.0° |
| N31 | C32 | C25 | 113.9° | 109.5° |
| N31 | C32 | H32 | 108.0° | 109.5° |
| N31 | C32 | H32A | 107.0° | 109.5° |
| C32 | N31 | HN31 | 119.6° | 120.0° |
| C25 | C32 | H32 | 108.0° | 109.5° |
| C25 | C32 | H32A | 107.0° | 109.4° |
| C5 | N4 | S1 | 115.6° | 120.0° |
| C5 | N4 | HN4 | 107.5° | 120.0° |
| N4 | C5 | H5 | 112.6° | 109.5° |
| N4 | S1 | O4 | 103.9° | 104.3° |
| S1 | N4 | HN4 | 107.5° | 120.0° |
| C8 | C13 | C11 | 119.6° | 120.0° |
| C8 | C13 | H13 | 120.2° | 120.0° |
| C13 | C11 | H11 | 119.8° | 120.0° |
| C11 | C13 | H13 | 120.2° | 120.0° |
| H4 | C4 | H4A | 109.4° | 109.5° |
| H6 | C6 | H6A | 109.4° | 109.5° |
| H6 | C6 | H6B | 109.4° | 109.5° |
| H6A | C6 | H6B | 109.5° | 109.5° |
| H9 | C9 | H9A | 115.0° | 109.5° |
| H19 | C19 | H19A | 113.4° | 109.5° |
| H20 | C20 | H20A | 107.9° | 109.5° |
| H32 | C32 | H32A | 113.0° | 109.5° |
| HN3 | N3 | HN3A | 125.2° | 120.0° |
| H3 | C3 | H3A | 109.4° | 109.4° |
| H3 | C3 | H3B | 109.4° | 109.5° |
| H3A | C3 | H3B | 109.5° | 109.5° |
| HN2 | N2 | HN2A | 125.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | C1 | C5 | C3 | 124.9° | 119.9° |
| C4 | C1 | C5 | H1 | 120.1° | 120.0° |
| C4 | C1 | C3 | H1 | 119.7° | 120.0° |
| C1 | C4 | C6 | H4 | 120.0° | 120.0° |
| C1 | C4 | C6 | H4A | 120.0° | 120.0° |
| C4 | C1 | C5 | C15 | 165.0° | 58.3° |
| C4 | C1 | C5 | N4 | 75.4° | 178.3° |
| C1 | C4 | H4 | H4A | 120.0° | 120.1° |
| C1 | C4 | C6 | H6 | 128.2° | 64.9° |
| C1 | C4 | C6 | H6A | 8.2° | 55.1° |
| C1 | C4 | C6 | H6B | 111.9° | 175.1° |
| C4 | C1 | C5 | H5 | 46.5° | 61.8° |
| C4 | C1 | C3 | H3 | 111.3° | 66.0° |
| C4 | C1 | C3 | H3A | 8.7° | 174.0° |
| C4 | C1 | C3 | H3B | 128.7° | 54.0° |
| C5 | C1 | C3 | H1 | 118.5° | 120.0° |
| C5 | C1 | C4 | C6 | 157.7° | 67.8° |
| C1 | C5 | C15 | O1 | 87.2° | 95.2° |
| C1 | C5 | C15 | N17 | 93.1° | 84.7° |
| C1 | C5 | C15 | N4 | 118.9° | 120.0° |
| C1 | C5 | C15 | H5 | 119.2° | 120.0° |
| C1 | C5 | N4 | H5 | 119.2° | 119.9° |
| C1 | C5 | N4 | S1 | 149.8° | 96.7° |
| C5 | C1 | C4 | H4 | 37.7° | 52.1° |
| C5 | C1 | C4 | H4A | 82.3° | 172.2° |
| C1 | C5 | N4 | HN4 | 29.8° | 83.4° |
| C5 | C1 | C3 | H3 | 126.9° | 53.9° |
| C5 | C1 | C3 | H3A | 113.1° | 66.0° |
| C5 | C1 | C3 | H3B | 6.9° | 174.0° |
| C3 | C1 | C4 | C6 | 76.5° | 172.3° |
| C3 | C1 | C5 | C15 | 40.2° | 61.7° |
| C3 | C1 | C5 | N4 | 159.8° | 58.4° |
| C3 | C1 | C4 | H4 | 163.5° | 67.8° |
| C3 | C1 | C4 | H4A | 43.5° | 52.2° |
| C3 | C1 | C5 | H5 | 78.4° | 178.3° |
| C1 | C3 | H3 | H3A | 120.0° | 119.9° |
| C1 | C3 | H3 | H3B | 120.0° | 120.1° |
| C1 | C3 | H3A | H3B | 120.0° | 120.0° |
| C20 | C2 | O2 | N3 | 174.3° | 180.0° |
| C2 | C20 | C19 | C18 | 170.1° | 180.0° |
| C2 | C20 | C19 | H20 | 120.0° | 119.9° |
| C2 | C20 | C19 | H20A | 120.8° | 120.0° |
| C2 | C20 | C19 | H19 | 69.9° | 60.0° |
| C2 | C20 | C19 | H19A | 52.3° | 60.0° |
| C2 | C20 | H20 | H20A | 120.8° | 120.0° |
| C20 | C2 | N3 | HN3 | 2.3° | 0.0° |
| C20 | C2 | N3 | HN3A | 177.7° | 180.0° |
| O2 | C2 | C20 | C19 | 60.3° | 0.0° |
| O2 | C2 | C20 | H20 | 59.7° | 120.0° |
| O2 | C2 | C20 | H20A | 178.9° | 120.0° |
| O2 | C2 | N3 | HN3 | 176.8° | 180.0° |
| O2 | C2 | N3 | HN3A | 3.2° | 0.0° |
| N3 | C2 | C20 | C19 | 114.4° | 180.0° |
| N3 | C2 | C20 | H20 | 125.6° | 60.0° |
| N3 | C2 | C20 | H20A | 6.4° | 60.0° |
| C2 | N3 | HN3 | HN3A | 180.0° | 179.9° |
| O3 | S1 | C9 | N4 | 110.4° | 111.6° |
| O3 | S1 | C9 | O4 | 137.2° | 136.7° |
| O3 | S1 | C9 | C8 | 77.0° | 64.9° |
| O3 | S1 | N4 | C5 | 39.4° | 51.7° |
| O3 | S1 | N4 | O4 | 124.6° | 127.9° |
| O3 | S1 | C9 | H9 | 163.0° | 55.1° |
| O3 | S1 | C9 | H9A | 39.8° | 175.2° |
| O3 | S1 | N4 | HN4 | 80.6° | 128.2° |
| C6 | C4 | C1 | H1 | 38.6° | 52.2° |
| C6 | C4 | H4 | H4A | 120.1° | 120.0° |
| C4 | C6 | H6 | H6A | 120.0° | 120.0° |
| C4 | C6 | H6 | H6B | 120.0° | 119.9° |
| C4 | C6 | H6A | H6B | 120.0° | 119.9° |
| C8 | C7 | C12 | H7 | 180.0° | 179.7° |
| C7 | C8 | C9 | S1 | 83.6° | 90.0° |
| C7 | C8 | C9 | C13 | 178.3° | 180.0° |
| C8 | C7 | C12 | C10 | 1.5° | 0.0° |
| C7 | C8 | C13 | C11 | 0.4° | 0.0° |
| C7 | C8 | C9 | H9 | 156.4° | 30.0° |
| C7 | C8 | C9 | H9A | 33.2° | 150.0° |
| C8 | C7 | C12 | H12 | 178.5° | 180.0° |
| C7 | C8 | C13 | H13 | 179.6° | 180.0° |
| C12 | C7 | C8 | C9 | 176.8° | 180.0° |
| C7 | C12 | C10 | H12 | 180.0° | 179.9° |
| C7 | C12 | C10 | C11 | 0.6° | 0.0° |
| C12 | C7 | C8 | C13 | 1.4° | 0.0° |
| C7 | C12 | C10 | H10 | 179.4° | 180.0° |
| S1 | C9 | C8 | H9 | 120.0° | 120.0° |
| S1 | C9 | C8 | H9A | 116.9° | 120.0° |
| C9 | S1 | N4 | C5 | 79.7° | 64.4° |
| C9 | S1 | N4 | O4 | 116.3° | 116.1° |
| S1 | C9 | C8 | C13 | 98.1° | 89.9° |
| S1 | C9 | H9 | H9A | 117.2° | 120.0° |
| C9 | S1 | N4 | HN4 | 160.2° | 115.8° |
| C8 | C9 | S1 | N4 | 172.6° | 176.5° |
| C8 | C9 | S1 | O4 | 60.1° | 71.8° |
| C9 | C8 | C13 | C11 | 177.9° | 180.0° |
| C9 | C8 | C7 | H7 | 3.2° | 0.2° |
| C8 | C9 | H9 | H9A | 117.2° | 119.9° |
| C9 | C8 | C13 | H13 | 2.2° | 0.0° |
| C12 | C10 | C11 | H10 | 180.0° | 180.0° |
| C12 | C10 | C11 | C13 | 0.4° | 0.0° |
| C10 | C12 | C7 | H7 | 178.5° | 179.7° |
| C12 | C10 | C11 | H11 | 179.6° | 180.0° |
| C10 | C11 | C13 | C8 | 0.5° | 0.0° |
| C10 | C11 | C13 | H11 | 180.0° | 180.0° |
| C11 | C10 | C12 | H12 | 179.4° | 180.0° |
| C10 | C11 | C13 | H13 | 179.5° | 180.0° |
| O1 | C15 | N17 | C5 | 179.7° | 180.0° |
| O1 | C15 | N17 | C18 | 2.7° | 4.3° |
| O1 | C15 | C5 | N4 | 31.7° | 24.7° |
| O1 | C15 | N17 | HN17 | 177.3° | 175.6° |
| O1 | C15 | C5 | H5 | 153.6° | 144.8° |
| C15 | N17 | C18 | C19 | 177.9° | 85.0° |
| C15 | N17 | C18 | C28 | 60.2° | 155.0° |
| C15 | N17 | C18 | HN17 | 180.0° | 180.0° |
| N17 | C15 | C5 | N4 | 148.0° | 155.3° |
| C15 | N17 | C18 | H18 | 60.7° | 35.0° |
| N17 | C15 | C5 | H5 | 26.1° | 35.2° |
| C5 | C15 | N17 | C18 | 177.6° | 175.6° |
| C15 | C5 | N4 | H5 | 118.6° | 120.1° |
| C15 | C5 | N4 | S1 | 88.1° | 143.3° |
| C15 | C5 | C1 | H1 | 74.9° | 178.3° |
| C5 | C15 | N17 | HN17 | 2.4° | 4.4° |
| C15 | C5 | N4 | HN4 | 152.0° | 36.6° |
| C17 | C16 | C25 | H16 | 180.0° | 179.6° |
| C16 | C17 | C22 | H17 | 180.0° | 179.9° |
| C16 | C17 | C22 | C23 | 0.2° | 0.0° |
| C17 | C16 | C25 | C24 | 0.0° | 0.1° |
| C16 | C17 | C22 | C26 | 179.3° | 179.9° |
| C17 | C16 | C25 | C32 | 179.2° | 180.0° |
| C25 | C16 | C17 | C22 | 0.6° | 0.1° |
| C16 | C25 | C24 | C23 | 0.9° | 0.1° |
| C16 | C25 | C24 | C32 | 179.2° | 179.9° |
| C16 | C25 | C32 | N31 | 59.6° | 90.0° |
| C25 | C16 | C17 | H17 | 179.4° | 180.0° |
| C16 | C25 | C24 | H24 | 179.1° | 179.9° |
| C16 | C25 | C32 | H32 | 179.6° | 30.1° |
| C16 | C25 | C32 | H32A | 58.4° | 150.1° |
| C17 | C22 | C23 | C24 | 0.7° | 0.0° |
| C17 | C22 | C23 | C26 | 179.1° | 180.0° |
| C17 | C22 | C26 | N1 | 4.3° | 0.0° |
| C17 | C22 | C26 | N2 | 178.5° | 180.0° |
| C22 | C17 | C16 | H16 | 179.4° | 179.7° |
| C17 | C22 | C23 | H23 | 179.3° | 180.0° |
| C19 | C18 | C28 | N17 | 123.4° | 120.0° |
| C19 | C18 | C28 | H18 | 117.3° | 120.1° |
| C19 | C18 | N17 | H18 | 117.2° | 120.0° |
| C18 | C19 | C20 | H19 | 120.0° | 120.0° |
| C18 | C19 | C20 | H19A | 117.8° | 120.0° |
| C19 | C18 | C28 | O30 | 83.8° | 120.0° |
| C19 | C18 | C28 | N31 | 96.6° | 60.0° |
| C18 | C19 | H19 | H19A | 118.0° | 120.1° |
| C18 | C19 | C20 | H20 | 69.9° | 60.1° |
| C18 | C19 | C20 | H20A | 49.3° | 60.0° |
| C19 | C18 | N17 | HN17 | 2.2° | 95.0° |
| C28 | C18 | N17 | H18 | 120.9° | 120.0° |
| C28 | C18 | C19 | C20 | 177.1° | 175.0° |
| C18 | C28 | O30 | N31 | 179.5° | 180.0° |
| C18 | C28 | N31 | C32 | 179.8° | 180.0° |
| C28 | C18 | C19 | H19 | 57.1° | 65.0° |
| C28 | C18 | C19 | H19A | 65.0° | 55.1° |
| C28 | C18 | N17 | HN17 | 119.8° | 25.0° |
| C18 | C28 | N31 | HN31 | 0.2° | 0.0° |
| N17 | C18 | C19 | C20 | 57.1° | 65.0° |
| N17 | C18 | C28 | O30 | 39.6° | 0.0° |
| N17 | C18 | C28 | N31 | 140.0° | 180.0° |
| N17 | C18 | C19 | H19 | 62.9° | 55.0° |
| N17 | C18 | C19 | H19A | 174.9° | 175.1° |
| C20 | C19 | C18 | H18 | 62.1° | 54.9° |
| C20 | C19 | H19 | H19A | 118.0° | 119.9° |
| C19 | C20 | H20 | H20A | 120.8° | 120.1° |
| C24 | C23 | C22 | H23 | 180.0° | 180.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C24 | C23 | C22 | C26 | 178.4° | 180.0° |
| C23 | C24 | C25 | C32 | 179.9° | 180.0° |
| C22 | C23 | C24 | C25 | 1.3° | 0.0° |
| C23 | C22 | C26 | N1 | 174.8° | 180.0° |
| C23 | C22 | C26 | N2 | 2.4° | 0.0° |
| C23 | C22 | C17 | H17 | 179.8° | 180.0° |
| C22 | C23 | C24 | H24 | 178.8° | 180.0° |
| C24 | C25 | C32 | N31 | 119.6° | 90.0° |
| C24 | C25 | C16 | H16 | 180.0° | 179.7° |
| C25 | C24 | C23 | H23 | 178.7° | 180.0° |
| C24 | C25 | C32 | H32 | 0.4° | 150.0° |
| C24 | C25 | C32 | H32A | 122.4° | 30.0° |
| C22 | C26 | N1 | N2 | 177.4° | 180.0° |
| C26 | C22 | C17 | H17 | 0.6° | 0.0° |
| C26 | C22 | C23 | H23 | 1.6° | 0.0° |
| C22 | C26 | N1 | HN1 | 180.0° | 180.0° |
| C22 | C26 | N2 | HN2 | 1.5° | 0.0° |
| C22 | C26 | N2 | HN2A | 178.5° | 180.0° |
| N1 | C26 | N2 | HN2 | 178.8° | 180.0° |
| N1 | C26 | N2 | HN2A | 1.2° | 0.0° |
| N2 | C26 | N1 | HN1 | 2.7° | 0.0° |
| C26 | N2 | HN2 | HN2A | 180.0° | 180.0° |
| O30 | C28 | N31 | C32 | 0.6° | 0.0° |
| O30 | C28 | C18 | H18 | 158.9° | 119.9° |
| O30 | C28 | N31 | HN31 | 179.4° | 180.0° |
| C28 | N31 | C32 | HN31 | 180.0° | 180.0° |
| C28 | N31 | C32 | C25 | 98.6° | 180.0° |
| N31 | C28 | C18 | H18 | 20.7° | 60.1° |
| C28 | N31 | C32 | H32 | 141.4° | 60.0° |
| C28 | N31 | C32 | H32A | 19.4° | 60.0° |
| N31 | C32 | C25 | H32 | 120.0° | 120.0° |
| N31 | C32 | C25 | H32A | 118.0° | 120.0° |
| N31 | C32 | H32 | H32A | 118.2° | 120.0° |
| C32 | C25 | C16 | H16 | 0.8° | 0.3° |
| C32 | C25 | C24 | H24 | 0.1° | 0.0° |
| C25 | C32 | H32 | H32A | 118.2° | 120.0° |
| C25 | C32 | N31 | HN31 | 81.4° | 0.0° |
| C5 | N4 | S1 | HN4 | 120.0° | 179.9° |
| C5 | N4 | S1 | O4 | 164.0° | 179.5° |
| N4 | C5 | C1 | H1 | 44.7° | 61.7° |
| N4 | S1 | C9 | H9 | 52.6° | 56.5° |
| N4 | S1 | C9 | H9A | 70.6° | 63.5° |
| S1 | N4 | C5 | H5 | 30.5° | 23.2° |
| O4 | S1 | C9 | H9 | 59.8° | 168.2° |
| O4 | S1 | C9 | H9A | 177.0° | 48.1° |
| O4 | S1 | N4 | HN4 | 44.0° | 0.3° |
| C8 | C13 | C11 | H13 | 180.0° | 180.0° |
| C13 | C8 | C7 | H7 | 178.5° | 179.7° |
| C13 | C8 | C9 | H9 | 21.9° | 150.0° |
| C13 | C8 | C9 | H9A | 145.0° | 30.0° |
| C8 | C13 | C11 | H11 | 179.5° | 180.0° |
| C13 | C11 | C10 | H10 | 179.6° | 180.0° |
| H1 | C1 | C4 | H4 | 81.4° | 172.2° |
| H1 | C1 | C4 | H4A | 158.7° | 67.8° |
| H1 | C1 | C5 | H5 | 166.6° | 58.3° |
| H1 | C1 | C3 | H3 | 8.4° | 173.9° |
| H1 | C1 | C3 | H3A | 128.4° | 54.0° |
| H1 | C1 | C3 | H3B | 111.6° | 66.0° |
| H4 | C4 | C6 | H6 | 111.8° | 175.1° |
| H4 | C4 | C6 | H6A | 128.2° | 64.9° |
| H4 | C4 | C6 | H6B | 8.1° | 55.1° |
| H4A | C4 | C6 | H6 | 8.1° | 55.1° |
| H4A | C4 | C6 | H6A | 111.9° | 175.2° |
| H4A | C4 | C6 | H6B | 128.1° | 64.9° |
| H6 | C6 | H6A | H6B | 119.9° | 120.0° |
| H7 | C7 | C12 | H12 | 1.6° | 0.2° |
| H10 | C10 | C12 | H12 | 0.6° | 0.1° |
| H10 | C10 | C11 | H11 | 0.4° | 0.0° |
| H16 | C16 | C17 | H17 | 0.6° | 0.4° |
| H18 | C18 | C19 | H19 | 177.9° | 174.9° |
| H18 | C18 | C19 | H19A | 55.8° | 65.0° |
| H18 | C18 | N17 | HN17 | 119.3° | 145.0° |
| H19 | C19 | C20 | H20 | 50.1° | 60.0° |
| H19 | C19 | C20 | H20A | 169.3° | 180.0° |
| H19A | C19 | C20 | H20 | 172.3° | 180.0° |
| H19A | C19 | C20 | H20A | 68.5° | 60.0° |
| H23 | C23 | C24 | H24 | 1.3° | 0.0° |
| H32 | C32 | N31 | HN31 | 38.6° | 120.0° |
| H32A | C32 | N31 | HN31 | 160.6° | 120.0° |
| HN4 | N4 | C5 | H5 | 89.5° | 156.7° |
| H3 | C3 | H3A | H3B | 120.0° | 120.0° |
| H11 | C11 | C13 | H13 | 0.5° | 0.0° |
