OZL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C19 | sing | 1.53Å | 1.53Å | |
| C22 | C19 | sing | 1.53Å | 1.53Å | |
| S2 | C13 | sing | 1.83Å | 1.77Å | |
| S2 | C11 | sing | 1.82Å | 1.83Å | |
| C19 | C16 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C14 | C11 | sing | 1.53Å | 1.51Å | |
| C14 | N4 | sing | 1.48Å | 1.46Å | |
| C13 | C12 | sing | 1.55Å | 1.42Å | |
| O3 | C17 | doub | 1.21Å | 1.21Å | |
| C16 | N5 | sing | 1.47Å | 1.44Å | |
| C16 | C15 | sing | 1.51Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C11 | S1 | sing | 1.81Å | 1.82Å | |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| C23 | C18 | sing | 1.53Å | 1.51Å | |
| C12 | S1 | sing | 1.82Å | 1.76Å | |
| C17 | N5 | sing | 1.35Å | 1.34Å | |
| C17 | N6 | sing | 1.35Å | 1.34Å | |
| N4 | C15 | sing | 1.35Å | 1.33Å | |
| N4 | C9 | sing | 1.47Å | 1.45Å | |
| C10 | C9 | sing | 1.55Å | 1.53Å | |
| C15 | O4 | doub | 1.21Å | 1.20Å | |
| C5 | C6 | sing | 1.54Å | 1.50Å | |
| C5 | C4 | sing | 1.55Å | 1.51Å | |
| C1 | C9 | sing | 1.51Å | 1.51Å | |
| C1 | N1 | sing | 1.35Å | 1.32Å | |
| N6 | C18 | sing | 1.47Å | 1.47Å | |
| C24 | C18 | sing | 1.53Å | 1.51Å | |
| C6 | N2 | sing | 1.47Å | 1.45Å | |
| C18 | C25 | sing | 1.53Å | 1.51Å | |
| C2 | N1 | sing | 1.46Å | 1.45Å | |
| C2 | C8 | sing | 1.47Å | 1.52Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C8 | N3 | trip | 1.14Å | 1.29Å | |
| C4 | C3 | sing | 1.53Å | 1.50Å | |
| C4 | C7 | sing | 1.51Å | 1.51Å | |
| N2 | C7 | sing | 1.34Å | 1.29Å | |
| C7 | O2 | doub | 1.21Å | 1.21Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C20 | H13 | sing | 1.09Å | 1.10Å | |
| C20 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H18 | sing | 1.09Å | 1.10Å | |
| C22 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C14 | H27 | sing | 1.09Å | 1.10Å | |
| C14 | H28 | sing | 1.09Å | 1.10Å | |
| C16 | H29 | sing | 1.09Å | 1.10Å | |
| C2 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C3 | H37 | sing | 1.09Å | 1.10Å | |
| C3 | H38 | sing | 1.09Å | 1.10Å | |
| C9 | H39 | sing | 1.09Å | 1.10Å | |
| N2 | H40 | sing | 0.97Å | 1.00Å | |
| N5 | H41 | sing | 0.97Å | 1.00Å | |
| N6 | H42 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C19 | C22 | 108.9° | 109.4° |
| C21 | C19 | C16 | 110.0° | 109.5° |
| C21 | C19 | C20 | 108.6° | 109.5° |
| C19 | C21 | H16 | 109.5° | 109.5° |
| C19 | C21 | H17 | 109.5° | 109.4° |
| C19 | C21 | H18 | 109.5° | 109.5° |
| C22 | C19 | C16 | 109.7° | 109.5° |
| C22 | C19 | C20 | 108.4° | 109.5° |
| C19 | C22 | H19 | 109.5° | 109.5° |
| C19 | C22 | H20 | 109.4° | 109.4° |
| C19 | C22 | H21 | 109.5° | 109.5° |
| C13 | S2 | C11 | 95.8° | 99.3° |
| S2 | C13 | C12 | 109.8° | 105.1° |
| S2 | C13 | H11 | 109.4° | 110.3° |
| S2 | C13 | H12 | 109.4° | 110.4° |
| S2 | C11 | C14 | 114.2° | 111.7° |
| S2 | C11 | C10 | 112.2° | 111.6° |
| S2 | C11 | S1 | 107.3° | 106.1° |
| C16 | C19 | C20 | 111.2° | 109.5° |
| C19 | C16 | N5 | 112.3° | 109.5° |
| C19 | C16 | C15 | 114.6° | 109.5° |
| C19 | C16 | H29 | 106.1° | 109.5° |
| C19 | C20 | H13 | 109.5° | 109.5° |
| C19 | C20 | H14 | 109.5° | 109.5° |
| C19 | C20 | H15 | 109.5° | 109.5° |
| C11 | C14 | N4 | 101.1° | 104.6° |
| C14 | C11 | C10 | 101.6° | 103.7° |
| C14 | C11 | S1 | 111.7° | 112.0° |
| C11 | C14 | H27 | 111.5° | 110.4° |
| C11 | C14 | H28 | 111.5° | 110.4° |
| C14 | N4 | C15 | 129.3° | 125.6° |
| C14 | N4 | C9 | 112.6° | 108.8° |
| N4 | C14 | H27 | 111.5° | 110.4° |
| N4 | C14 | H28 | 111.5° | 110.4° |
| C13 | C12 | S1 | 108.6° | 107.0° |
| C12 | C13 | H11 | 109.4° | 110.3° |
| C12 | C13 | H12 | 109.4° | 110.3° |
| C13 | C12 | H25 | 109.7° | 109.9° |
| C13 | C12 | H26 | 109.7° | 109.9° |
| O3 | C17 | N5 | 120.0° | 120.0° |
| O3 | C17 | N6 | 124.0° | 120.1° |
| N5 | C16 | C15 | 110.3° | 109.5° |
| C16 | N5 | C17 | 120.3° | 120.0° |
| N5 | C16 | H29 | 107.0° | 109.5° |
| C16 | N5 | H41 | 119.8° | 120.0° |
| C16 | C15 | N4 | 118.6° | 120.0° |
| C16 | C15 | O4 | 121.7° | 120.0° |
| C15 | C16 | H29 | 106.1° | 109.5° |
| C10 | C11 | S1 | 109.8° | 111.9° |
| C11 | C10 | C9 | 104.1° | 102.7° |
| C11 | C10 | H9 | 110.8° | 110.8° |
| C11 | C10 | H10 | 110.8° | 111.0° |
| C11 | S1 | C12 | 90.0° | 101.7° |
| O1 | C1 | C9 | 119.4° | 120.0° |
| O1 | C1 | N1 | 122.0° | 120.0° |
| C23 | C18 | N6 | 109.0° | 109.5° |
| C23 | C18 | C24 | 109.9° | 109.5° |
| C23 | C18 | C25 | 109.6° | 109.5° |
| C18 | C23 | H31 | 109.5° | 109.4° |
| C18 | C23 | H32 | 109.5° | 109.5° |
| C18 | C23 | H33 | 109.5° | 109.5° |
| S1 | C12 | H25 | 109.7° | 109.9° |
| S1 | C12 | H26 | 109.7° | 109.9° |
| N5 | C17 | N6 | 116.0° | 119.9° |
| C17 | N5 | H41 | 119.9° | 120.1° |
| C17 | N6 | C18 | 125.7° | 119.9° |
| C17 | N6 | H42 | 117.2° | 120.1° |
| C15 | N4 | C9 | 118.1° | 125.6° |
| N4 | C15 | O4 | 119.7° | 120.0° |
| N4 | C9 | C10 | 102.3° | 107.4° |
| N4 | C9 | C1 | 111.0° | 109.9° |
| N4 | C9 | H39 | 111.8° | 110.0° |
| C10 | C9 | C1 | 109.8° | 109.9° |
| C9 | C10 | H9 | 110.8° | 110.8° |
| C9 | C10 | H10 | 110.8° | 110.7° |
| C10 | C9 | H39 | 110.7° | 109.9° |
| C6 | C5 | C4 | 104.2° | 101.8° |
| C5 | C6 | N2 | 103.3° | 105.5° |
| C6 | C5 | H4 | 110.8° | 111.0° |
| C6 | C5 | H5 | 110.8° | 111.0° |
| C5 | C6 | H6 | 111.0° | 110.3° |
| C5 | C6 | H7 | 111.0° | 110.3° |
| C5 | C4 | C3 | 112.2° | 110.5° |
| C5 | C4 | C7 | 102.8° | 104.2° |
| C5 | C4 | H3 | 110.9° | 110.6° |
| C4 | C5 | H4 | 110.8° | 111.0° |
| C4 | C5 | H5 | 110.8° | 111.0° |
| C9 | C1 | N1 | 118.6° | 120.0° |
| C1 | C9 | H39 | 110.9° | 109.8° |
| C1 | N1 | C2 | 119.1° | 120.0° |
| C1 | N1 | H1 | 120.5° | 120.0° |
| N6 | C18 | C24 | 109.6° | 109.5° |
| N6 | C18 | C25 | 110.0° | 109.4° |
| C18 | N6 | H42 | 117.2° | 120.0° |
| C24 | C18 | C25 | 108.8° | 109.4° |
| C18 | C24 | H22 | 109.5° | 109.4° |
| C18 | C24 | H23 | 109.5° | 109.4° |
| C18 | C24 | H24 | 109.5° | 109.4° |
| C6 | N2 | C7 | 113.9° | 111.3° |
| N2 | C6 | H6 | 111.0° | 110.2° |
| N2 | C6 | H7 | 111.0° | 110.2° |
| C6 | N2 | H40 | 123.0° | 124.4° |
| C18 | C25 | H34 | 109.5° | 109.5° |
| C18 | C25 | H35 | 109.4° | 109.4° |
| C18 | C25 | H36 | 109.5° | 109.5° |
| N1 | C2 | C8 | 106.9° | 109.5° |
| N1 | C2 | C3 | 112.9° | 109.5° |
| C2 | N1 | H1 | 120.5° | 120.0° |
| N1 | C2 | H30 | 108.3° | 109.5° |
| C8 | C2 | C3 | 113.7° | 109.5° |
| C2 | C8 | N3 | 127.0° | 180.0° |
| C8 | C2 | H30 | 107.4° | 109.5° |
| C2 | C3 | C4 | 115.4° | 109.5° |
| C3 | C2 | H30 | 107.3° | 109.4° |
| C2 | C3 | H37 | 108.0° | 109.5° |
| C2 | C3 | H38 | 108.0° | 109.4° |
| C3 | C4 | C7 | 108.7° | 110.5° |
| C3 | C4 | H3 | 111.0° | 110.4° |
| C4 | C3 | H37 | 108.0° | 109.5° |
| C4 | C3 | H38 | 108.0° | 109.5° |
| C4 | C7 | N2 | 108.9° | 110.1° |
| C4 | C7 | O2 | 125.5° | 125.0° |
| C7 | C4 | H3 | 110.9° | 110.4° |
| N2 | C7 | O2 | 125.6° | 124.9° |
| C7 | N2 | H40 | 123.1° | 124.3° |
| H4 | C5 | H5 | 109.5° | 110.9° |
| H6 | C6 | H7 | 109.5° | 110.3° |
| H9 | C10 | H10 | 109.5° | 110.7° |
| H11 | C13 | H12 | 109.5° | 110.3° |
| H13 | C20 | H14 | 109.4° | 109.5° |
| H13 | C20 | H15 | 109.5° | 109.5° |
| H14 | C20 | H15 | 109.5° | 109.4° |
| H16 | C21 | H17 | 109.5° | 109.5° |
| H16 | C21 | H18 | 109.4° | 109.5° |
| H17 | C21 | H18 | 109.5° | 109.4° |
| H19 | C22 | H20 | 109.5° | 109.5° |
| H19 | C22 | H21 | 109.5° | 109.5° |
| H20 | C22 | H21 | 109.4° | 109.5° |
| H22 | C24 | H23 | 109.5° | 109.5° |
| H22 | C24 | H24 | 109.5° | 109.5° |
| H23 | C24 | H24 | 109.4° | 109.5° |
| H25 | C12 | H26 | 109.5° | 110.1° |
| H27 | C14 | H28 | 109.5° | 110.5° |
| H31 | C23 | H32 | 109.5° | 109.5° |
| H31 | C23 | H33 | 109.5° | 109.4° |
| H32 | C23 | H33 | 109.4° | 109.5° |
| H34 | C25 | H35 | 109.5° | 109.5° |
| H34 | C25 | H36 | 109.4° | 109.5° |
| H35 | C25 | H36 | 109.5° | 109.4° |
| H37 | C3 | H38 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C19 | C22 | C16 | 120.5° | 120.0° |
| C21 | C19 | C22 | C20 | 118.0° | 120.0° |
| C21 | C19 | C16 | C20 | 120.3° | 120.0° |
| C21 | C19 | C16 | N5 | 66.7° | 52.5° |
| C21 | C19 | C16 | C15 | 166.5° | 67.5° |
| C21 | C19 | C20 | H13 | 180.0° | 64.0° |
| C21 | C19 | C20 | H14 | 60.0° | 176.0° |
| C21 | C19 | C20 | H15 | 60.0° | 56.0° |
| C19 | C21 | H16 | H17 | 120.0° | 119.9° |
| C19 | C21 | H16 | H18 | 120.0° | 120.1° |
| C19 | C21 | H17 | H18 | 120.0° | 120.0° |
| C21 | C19 | C22 | H19 | 180.0° | 60.0° |
| C21 | C19 | C22 | H20 | 60.0° | 180.0° |
| C21 | C19 | C22 | H21 | 60.0° | 60.0° |
| C21 | C19 | C16 | H29 | 49.8° | 172.5° |
| C22 | C19 | C16 | C20 | 119.9° | 120.0° |
| C22 | C19 | C16 | N5 | 173.5° | 67.4° |
| C22 | C19 | C16 | C15 | 46.7° | 172.6° |
| C22 | C19 | C20 | H13 | 61.8° | 176.1° |
| C22 | C19 | C20 | H14 | 58.2° | 56.1° |
| C22 | C19 | C20 | H15 | 178.2° | 63.9° |
| C22 | C19 | C21 | H16 | 180.0° | 60.0° |
| C22 | C19 | C21 | H17 | 60.0° | 180.0° |
| C22 | C19 | C21 | H18 | 60.0° | 60.1° |
| C19 | C22 | H19 | H20 | 120.0° | 120.0° |
| C19 | C22 | H19 | H21 | 120.0° | 120.0° |
| C19 | C22 | H20 | H21 | 119.9° | 120.0° |
| C22 | C19 | C16 | H29 | 70.0° | 52.6° |
| C13 | S2 | C11 | C14 | 108.7° | 98.9° |
| S2 | C13 | C12 | H11 | 120.0° | 118.9° |
| S2 | C13 | C12 | H12 | 120.0° | 119.0° |
| C13 | S2 | C11 | C10 | 136.4° | 145.5° |
| C13 | S2 | C11 | S1 | 15.7° | 23.4° |
| S2 | C13 | C12 | S1 | 50.0° | 45.7° |
| S2 | C13 | H11 | H12 | 119.9° | 122.2° |
| S2 | C13 | C12 | H25 | 69.9° | 165.1° |
| S2 | C13 | C12 | H26 | 169.8° | 73.6° |
| S2 | C11 | C14 | C10 | 121.0° | 120.3° |
| S2 | C11 | C14 | S1 | 121.9° | 118.9° |
| S2 | C11 | C14 | N4 | 161.0° | 155.1° |
| C11 | S2 | C13 | C12 | 19.4° | 43.4° |
| S2 | C11 | C10 | S1 | 119.2° | 118.7° |
| S2 | C11 | S1 | C12 | 37.1° | 0.2° |
| S2 | C11 | C10 | C9 | 163.4° | 153.9° |
| S2 | C11 | C10 | H9 | 77.5° | 87.8° |
| S2 | C11 | C10 | H10 | 44.2° | 35.5° |
| C11 | S2 | C13 | H11 | 139.4° | 162.4° |
| C11 | S2 | C13 | H12 | 100.6° | 75.5° |
| S2 | C11 | C14 | H27 | 42.3° | 36.4° |
| S2 | C11 | C14 | H28 | 80.4° | 86.1° |
| C19 | C16 | N5 | C15 | 129.1° | 120.0° |
| C19 | C16 | N5 | H29 | 116.0° | 120.0° |
| C19 | C16 | C15 | H29 | 116.7° | 120.0° |
| C19 | C16 | N5 | C17 | 130.5° | 85.0° |
| C19 | C16 | C15 | N4 | 114.9° | 93.3° |
| C19 | C16 | C15 | O4 | 66.4° | 86.7° |
| C16 | C19 | C20 | H13 | 58.9° | 56.0° |
| C16 | C19 | C20 | H14 | 178.9° | 64.0° |
| C16 | C19 | C20 | H15 | 61.1° | 176.1° |
| C16 | C19 | C21 | H16 | 59.7° | 59.9° |
| C16 | C19 | C21 | H17 | 179.7° | 60.0° |
| C16 | C19 | C21 | H18 | 60.3° | 180.0° |
| C16 | C19 | C22 | H19 | 59.5° | 180.0° |
| C16 | C19 | C22 | H20 | 60.5° | 60.0° |
| C16 | C19 | C22 | H21 | 179.6° | 60.0° |
| C19 | C16 | N5 | H41 | 49.6° | 94.9° |
| C20 | C19 | C16 | N5 | 53.6° | 172.5° |
| C20 | C19 | C16 | C15 | 73.2° | 52.5° |
| C19 | C20 | H13 | H14 | 120.0° | 120.0° |
| C19 | C20 | H13 | H15 | 120.0° | 120.0° |
| C19 | C20 | H14 | H15 | 120.0° | 120.0° |
| C20 | C19 | C21 | H16 | 62.2° | 180.0° |
| C20 | C19 | C21 | H17 | 57.8° | 60.0° |
| C20 | C19 | C21 | H18 | 177.8° | 59.9° |
| C20 | C19 | C22 | H19 | 62.0° | 60.0° |
| C20 | C19 | C22 | H20 | 178.0° | 60.0° |
| C20 | C19 | C22 | H21 | 58.0° | 180.0° |
| C20 | C19 | C16 | H29 | 170.1° | 67.4° |
| C11 | C14 | N4 | H27 | 118.7° | 118.8° |
| C11 | C14 | N4 | H28 | 118.6° | 118.8° |
| C14 | C11 | C10 | S1 | 118.4° | 120.8° |
| C14 | C11 | S1 | C12 | 88.8° | 122.0° |
| C11 | C14 | N4 | C15 | 151.3° | 157.8° |
| C11 | C14 | N4 | C9 | 26.0° | 22.2° |
| C14 | C11 | C10 | C9 | 41.0° | 33.5° |
| C14 | C11 | C10 | H9 | 160.1° | 151.8° |
| C14 | C11 | C10 | H10 | 78.2° | 84.9° |
| C11 | C14 | H27 | H28 | 123.9° | 122.4° |
| C14 | N4 | C15 | C16 | 10.8° | 4.5° |
| N4 | C14 | C11 | C10 | 40.0° | 34.8° |
| N4 | C14 | C11 | S1 | 77.1° | 86.0° |
| C14 | N4 | C15 | C9 | 177.1° | 180.0° |
| C14 | N4 | C9 | C10 | 0.7° | 0.9° |
| C14 | N4 | C15 | O4 | 167.9° | 175.5° |
| C14 | N4 | C9 | C1 | 116.3° | 118.6° |
| N4 | C14 | H27 | H28 | 123.9° | 122.4° |
| C14 | N4 | C9 | H39 | 119.3° | 120.4° |
| C13 | C12 | S1 | C11 | 53.5° | 28.7° |
| C13 | C12 | S1 | H25 | 119.9° | 119.4° |
| C13 | C12 | S1 | H26 | 119.9° | 119.3° |
| C12 | C13 | H11 | H12 | 119.9° | 122.1° |
| C13 | C12 | H25 | H26 | 120.4° | 121.2° |
| O3 | C17 | N5 | C16 | 7.9° | 0.0° |
| O3 | C17 | N5 | N6 | 179.9° | 180.0° |
| O3 | C17 | N6 | C18 | 7.3° | 0.0° |
| O3 | C17 | N5 | H41 | 172.1° | 180.0° |
| O3 | C17 | N6 | H42 | 172.8° | 180.0° |
| N5 | C16 | C15 | H29 | 115.5° | 120.0° |
| C16 | N5 | C17 | H41 | 180.0° | 179.9° |
| C16 | N5 | C17 | N6 | 172.2° | 179.9° |
| N5 | C16 | C15 | N4 | 117.2° | 146.6° |
| N5 | C16 | C15 | O4 | 61.4° | 33.3° |
| C15 | C16 | N5 | C17 | 100.4° | 155.0° |
| C16 | C15 | N4 | O4 | 178.7° | 180.0° |
| C16 | C15 | N4 | C9 | 172.1° | 175.5° |
| C15 | C16 | N5 | H41 | 79.5° | 25.1° |
| C10 | C11 | S1 | C12 | 159.3° | 122.1° |
| C11 | C10 | C9 | N4 | 25.0° | 20.6° |
| C11 | C10 | C9 | H9 | 119.1° | 118.3° |
| C11 | C10 | C9 | H10 | 119.1° | 118.5° |
| C11 | C10 | C9 | C1 | 143.0° | 140.0° |
| C11 | C10 | H9 | H10 | 122.5° | 123.5° |
| C10 | C11 | C14 | H27 | 78.7° | 84.0° |
| C10 | C11 | C14 | H28 | 158.6° | 153.6° |
| C11 | C10 | C9 | H39 | 94.3° | 99.1° |
| S1 | C11 | C10 | C9 | 77.4° | 87.4° |
| S1 | C11 | C10 | H9 | 41.7° | 30.9° |
| S1 | C11 | C10 | H10 | 163.5° | 154.2° |
| C11 | S1 | C12 | H25 | 66.3° | 148.1° |
| C11 | S1 | C12 | H26 | 173.4° | 90.6° |
| S1 | C11 | C14 | H27 | 164.3° | 155.2° |
| S1 | C11 | C14 | H28 | 41.6° | 32.8° |
| O1 | C1 | C9 | N4 | 97.0° | 17.9° |
| O1 | C1 | C9 | C10 | 15.4° | 100.0° |
| O1 | C1 | C9 | N1 | 179.9° | 179.9° |
| O1 | C1 | N1 | C2 | 7.1° | 0.3° |
| O1 | C1 | N1 | H1 | 172.9° | 180.0° |
| O1 | C1 | C9 | H39 | 138.0° | 139.0° |
| C23 | C18 | N6 | C17 | 81.4° | 60.1° |
| C23 | C18 | N6 | C24 | 120.2° | 120.0° |
| C23 | C18 | N6 | C25 | 120.2° | 120.0° |
| C23 | C18 | C24 | C25 | 120.0° | 120.0° |
| C23 | C18 | C24 | H22 | 180.0° | 60.0° |
| C23 | C18 | C24 | H23 | 60.0° | 60.0° |
| C23 | C18 | C24 | H24 | 60.0° | 180.0° |
| C18 | C23 | H31 | H32 | 120.0° | 120.0° |
| C18 | C23 | H31 | H33 | 120.0° | 119.9° |
| C18 | C23 | H32 | H33 | 120.0° | 120.0° |
| C23 | C18 | C25 | H34 | 180.0° | 180.0° |
| C23 | C18 | C25 | H35 | 60.0° | 60.0° |
| C23 | C18 | C25 | H36 | 60.0° | 60.0° |
| C23 | C18 | N6 | H42 | 98.7° | 120.0° |
| S1 | C12 | C13 | H11 | 170.0° | 164.7° |
| S1 | C12 | C13 | H12 | 70.1° | 73.3° |
| S1 | C12 | H25 | H26 | 120.4° | 121.2° |
| N5 | C17 | N6 | C18 | 172.9° | 180.0° |
| C17 | N5 | C16 | H29 | 14.5° | 35.0° |
| N5 | C17 | N6 | H42 | 7.1° | 0.0° |
| C17 | N6 | C18 | H42 | 180.0° | 180.0° |
| C17 | N6 | C18 | C24 | 38.9° | 60.0° |
| C17 | N6 | C18 | C25 | 158.4° | 179.9° |
| N6 | C17 | N5 | H41 | 7.7° | 0.0° |
| C15 | N4 | C9 | C10 | 176.8° | 179.1° |
| C15 | N4 | C9 | C1 | 66.1° | 61.4° |
| C15 | N4 | C14 | H27 | 90.1° | 83.5° |
| C15 | N4 | C14 | H28 | 32.6° | 39.0° |
| N4 | C15 | C16 | H29 | 1.7° | 26.6° |
| C15 | N4 | C9 | H39 | 58.3° | 59.5° |
| N4 | C9 | C10 | C1 | 118.0° | 119.5° |
| N4 | C9 | C10 | H39 | 119.3° | 119.6° |
| C9 | N4 | C15 | O4 | 9.2° | 4.5° |
| N4 | C9 | C1 | H39 | 124.9° | 121.1° |
| N4 | C9 | C1 | N1 | 83.0° | 162.1° |
| N4 | C9 | C10 | H9 | 144.2° | 138.9° |
| N4 | C9 | C10 | H10 | 94.1° | 97.9° |
| C9 | N4 | C14 | H27 | 92.7° | 96.6° |
| C9 | N4 | C14 | H28 | 144.6° | 141.0° |
| C10 | C9 | C1 | H39 | 122.6° | 121.0° |
| C10 | C9 | C1 | N1 | 164.6° | 79.9° |
| C9 | C10 | H9 | H10 | 122.5° | 123.2° |
| O4 | C15 | C16 | H29 | 176.9° | 153.3° |
| C6 | C5 | C4 | H4 | 119.1° | 118.1° |
| C6 | C5 | C4 | H5 | 119.2° | 118.1° |
| C5 | C6 | N2 | H6 | 119.0° | 119.0° |
| C5 | C6 | N2 | H7 | 119.0° | 119.0° |
| C6 | C5 | C4 | C3 | 141.9° | 93.9° |
| C6 | C5 | C4 | C7 | 25.3° | 24.8° |
| C5 | C6 | N2 | C7 | 13.3° | 17.0° |
| C6 | C5 | C4 | H3 | 93.3° | 143.5° |
| C6 | C5 | H4 | H5 | 122.5° | 123.8° |
| C5 | C6 | H6 | H7 | 122.8° | 122.0° |
| C5 | C6 | N2 | H40 | 166.7° | 163.0° |
| C4 | C5 | C6 | N2 | 23.7° | 25.4° |
| C5 | C4 | C3 | C2 | 92.2° | 178.8° |
| C5 | C4 | C3 | C7 | 113.1° | 114.8° |
| C5 | C4 | C3 | H3 | 124.7° | 122.7° |
| C5 | C4 | C7 | H3 | 118.6° | 118.8° |
| C5 | C4 | C7 | N2 | 18.3° | 16.3° |
| C5 | C4 | C7 | O2 | 161.4° | 163.8° |
| C4 | C5 | H4 | H5 | 122.5° | 123.8° |
| C4 | C5 | C6 | H6 | 142.7° | 93.6° |
| C4 | C5 | C6 | H7 | 95.3° | 144.4° |
| C5 | C4 | C3 | H37 | 146.9° | 58.7° |
| C5 | C4 | C3 | H38 | 28.6° | 61.3° |
| C9 | C1 | N1 | C2 | 172.8° | 179.8° |
| C9 | C1 | N1 | H1 | 7.2° | 0.1° |
| C1 | C9 | C10 | H9 | 97.9° | 101.7° |
| C1 | C9 | C10 | H10 | 23.9° | 21.5° |
| C1 | N1 | C2 | H1 | 180.0° | 179.7° |
| C1 | N1 | C2 | C8 | 58.4° | 85.3° |
| C1 | N1 | C2 | C3 | 175.7° | 154.7° |
| C1 | N1 | C2 | H30 | 57.1° | 34.7° |
| N1 | C1 | C9 | H39 | 41.9° | 41.0° |
| N6 | C18 | C24 | C25 | 120.3° | 119.9° |
| N6 | C18 | C24 | H22 | 60.3° | 180.0° |
| N6 | C18 | C24 | H23 | 179.7° | 60.0° |
| N6 | C18 | C24 | H24 | 59.7° | 60.0° |
| N6 | C18 | C23 | H31 | 180.0° | 180.0° |
| N6 | C18 | C23 | H32 | 60.0° | 60.0° |
| N6 | C18 | C23 | H33 | 60.0° | 60.1° |
| N6 | C18 | C25 | H34 | 60.2° | 60.0° |
| N6 | C18 | C25 | H35 | 59.8° | 60.0° |
| N6 | C18 | C25 | H36 | 179.8° | 180.0° |
| C18 | C24 | H22 | H23 | 120.0° | 120.0° |
| C18 | C24 | H22 | H24 | 120.0° | 120.0° |
| C18 | C24 | H23 | H24 | 120.0° | 120.0° |
| C24 | C18 | C23 | H31 | 59.9° | 60.0° |
| C24 | C18 | C23 | H32 | 180.0° | 180.0° |
| C24 | C18 | C23 | H33 | 60.1° | 60.0° |
| C24 | C18 | C25 | H34 | 59.8° | 60.0° |
| C24 | C18 | C25 | H35 | 179.9° | 180.0° |
| C24 | C18 | C25 | H36 | 60.2° | 60.1° |
| C24 | C18 | N6 | H42 | 141.1° | 120.0° |
| C6 | N2 | C7 | C4 | 3.2° | 0.4° |
| C6 | N2 | C7 | H40 | 180.0° | 180.0° |
| C6 | N2 | C7 | O2 | 176.4° | 179.6° |
| N2 | C6 | C5 | H4 | 142.8° | 143.5° |
| N2 | C6 | C5 | H5 | 95.5° | 92.7° |
| N2 | C6 | H6 | H7 | 122.8° | 121.9° |
| C25 | C18 | C24 | H22 | 60.0° | 60.0° |
| C25 | C18 | C24 | H23 | 60.0° | 180.0° |
| C25 | C18 | C24 | H24 | 180.0° | 60.0° |
| C25 | C18 | C23 | H31 | 59.6° | 60.0° |
| C25 | C18 | C23 | H32 | 60.4° | 60.0° |
| C25 | C18 | C23 | H33 | 179.6° | 180.0° |
| C18 | C25 | H34 | H35 | 120.0° | 120.0° |
| C18 | C25 | H34 | H36 | 120.0° | 120.0° |
| C18 | C25 | H35 | H36 | 120.0° | 120.0° |
| C25 | C18 | N6 | H42 | 21.5° | 0.0° |
| N1 | C2 | C8 | C3 | 125.4° | 120.0° |
| N1 | C2 | C8 | H30 | 116.1° | 120.0° |
| N1 | C2 | C3 | H30 | 119.2° | 120.0° |
| N1 | C2 | C8 | N3 | 178.3° | 24.2° |
| N1 | C2 | C3 | C4 | 51.9° | 65.0° |
| N1 | C2 | C3 | H37 | 69.0° | 175.0° |
| N1 | C2 | C3 | H38 | 172.7° | 55.0° |
| C8 | C2 | C3 | H30 | 118.6° | 120.0° |
| C8 | C2 | C3 | C4 | 174.0° | 175.0° |
| C8 | C2 | N1 | H1 | 121.6° | 95.0° |
| C8 | C2 | C3 | H37 | 53.1° | 54.9° |
| C8 | C2 | C3 | H38 | 65.2° | 65.0° |
| C3 | C2 | C8 | N3 | 56.3° | 95.9° |
| C2 | C3 | C4 | H37 | 120.9° | 120.1° |
| C2 | C3 | C4 | H38 | 120.9° | 120.0° |
| C2 | C3 | C4 | C7 | 154.7° | 66.4° |
| C3 | C2 | N1 | H1 | 4.3° | 25.0° |
| C2 | C3 | C4 | H3 | 32.5° | 56.1° |
| C2 | C3 | H37 | H38 | 117.3° | 119.9° |
| N3 | C8 | C2 | H30 | 62.3° | 144.2° |
| C3 | C4 | C7 | H3 | 122.3° | 122.5° |
| C3 | C4 | C7 | N2 | 137.4° | 102.4° |
| C3 | C4 | C7 | O2 | 42.2° | 77.5° |
| C3 | C4 | C5 | H4 | 98.9° | 24.2° |
| C3 | C4 | C5 | H5 | 22.8° | 148.0° |
| C4 | C3 | C2 | H30 | 67.4° | 55.0° |
| C4 | C3 | H37 | H38 | 117.3° | 120.0° |
| C4 | C7 | N2 | O2 | 179.6° | 179.9° |
| C7 | C4 | C5 | H4 | 144.4° | 142.9° |
| C7 | C4 | C5 | H5 | 93.9° | 93.3° |
| C7 | C4 | C3 | H37 | 33.8° | 173.5° |
| C7 | C4 | C3 | H38 | 84.4° | 53.6° |
| C4 | C7 | N2 | H40 | 176.8° | 179.7° |
| N2 | C7 | C4 | H3 | 100.3° | 135.1° |
| C7 | N2 | C6 | H6 | 132.4° | 102.0° |
| C7 | N2 | C6 | H7 | 105.7° | 136.0° |
| O2 | C7 | C4 | H3 | 80.1° | 45.0° |
| O2 | C7 | N2 | H40 | 3.6° | 0.4° |
| H1 | N1 | C2 | H30 | 122.9° | 145.0° |
| H3 | C4 | C5 | H4 | 25.8° | 98.4° |
| H3 | C4 | C5 | H5 | 147.5° | 25.4° |
| H3 | C4 | C3 | H37 | 88.4° | 64.0° |
| H3 | C4 | C3 | H38 | 153.4° | 176.0° |
| H4 | C5 | C6 | H6 | 98.1° | 24.5° |
| H4 | C5 | C6 | H7 | 23.8° | 97.5° |
| H5 | C5 | C6 | H6 | 23.6° | 148.3° |
| H5 | C5 | C6 | H7 | 145.5° | 26.3° |
| H6 | C6 | N2 | H40 | 47.7° | 77.9° |
| H7 | C6 | N2 | H40 | 74.3° | 44.0° |
| H9 | C10 | C9 | H39 | 24.9° | 19.2° |
| H10 | C10 | C9 | H39 | 146.6° | 142.4° |
| H11 | C13 | C12 | H25 | 50.1° | 76.0° |
| H11 | C13 | C12 | H26 | 70.1° | 45.3° |
| H12 | C13 | C12 | H25 | 170.1° | 46.1° |
| H12 | C13 | C12 | H26 | 49.8° | 167.4° |
| H13 | C20 | H14 | H15 | 120.0° | 120.0° |
| H16 | C21 | H17 | H18 | 120.0° | 120.0° |
| H19 | C22 | H20 | H21 | 120.0° | 120.0° |
| H22 | C24 | H23 | H24 | 120.0° | 120.1° |
| H29 | C16 | N5 | H41 | 165.5° | 145.1° |
| H30 | C2 | C3 | H37 | 171.7° | 65.1° |
| H30 | C2 | C3 | H38 | 53.5° | 175.0° |
| H31 | C23 | H32 | H33 | 120.0° | 120.0° |
| H34 | C25 | H35 | H36 | 120.0° | 120.0° |
