OZB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C8 | trip | 1.14Å | 1.28Å | |
| C8 | C2 | sing | 1.47Å | 1.52Å | |
| C12 | C13 | sing | 1.55Å | 1.44Å | |
| C12 | S1 | sing | 1.83Å | 1.80Å | |
| C13 | S2 | sing | 1.82Å | 1.81Å | |
| C2 | N1 | sing | 1.46Å | 1.46Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| S2 | C11 | sing | 1.81Å | 1.85Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | sing | 1.55Å | 1.54Å | |
| N1 | C1 | sing | 1.35Å | 1.35Å | |
| C11 | S1 | sing | 1.82Å | 1.85Å | |
| C11 | C14 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C1 | C9 | sing | 1.51Å | 1.53Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| C9 | N4 | sing | 1.47Å | 1.46Å | |
| C14 | N4 | sing | 1.48Å | 1.47Å | |
| C4 | C5 | sing | 1.55Å | 1.52Å | |
| C4 | C7 | sing | 1.51Å | 1.52Å | |
| N4 | C15 | sing | 1.35Å | 1.35Å | |
| C5 | C6 | sing | 1.54Å | 1.52Å | |
| O2 | C7 | doub | 1.21Å | 1.23Å | |
| C7 | N2 | sing | 1.34Å | 1.33Å | |
| C15 | O4 | doub | 1.21Å | 1.23Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C6 | N2 | sing | 1.47Å | 1.46Å | |
| C24 | C21 | sing | 1.53Å | 1.53Å | |
| C16 | C21 | sing | 1.53Å | 1.55Å | |
| C16 | N5 | sing | 1.47Å | 1.46Å | |
| C21 | C23 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| N5 | C17 | sing | 1.35Å | 1.34Å | |
| O3 | C17 | doub | 1.21Å | 1.23Å | |
| C17 | C18 | sing | 1.51Å | 1.49Å | |
| C20 | C18 | sing | 1.53Å | 1.49Å | |
| C20 | C19 | sing | 1.53Å | 1.49Å | |
| C18 | F1 | sing | 1.40Å | 1.37Å | |
| C18 | C19 | sing | 1.53Å | 1.49Å | |
| 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 | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C24 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.09Å | 1.10Å | |
| C24 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| C12 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C2 | H28 | sing | 1.09Å | 1.10Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| C9 | H34 | sing | 1.09Å | 1.10Å | |
| N2 | H35 | sing | 0.97Å | 1.00Å | |
| N5 | H36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C8 | C2 | 123.8° | 180.0° |
| C8 | C2 | N1 | 110.8° | 109.5° |
| C8 | C2 | C3 | 108.4° | 109.5° |
| C8 | C2 | H28 | 108.4° | 109.4° |
| C13 | C12 | S1 | 106.2° | 105.1° |
| C12 | C13 | S2 | 111.3° | 107.0° |
| C12 | C13 | H11 | 109.0° | 109.9° |
| C12 | C13 | H12 | 109.0° | 110.1° |
| C13 | C12 | H21 | 110.3° | 110.3° |
| C13 | C12 | H22 | 110.3° | 110.3° |
| C12 | S1 | C11 | 91.8° | 99.4° |
| S1 | C12 | H21 | 110.3° | 110.3° |
| S1 | C12 | H22 | 110.3° | 110.3° |
| C13 | S2 | C11 | 95.3° | 101.8° |
| S2 | C13 | H11 | 109.0° | 110.0° |
| S2 | C13 | H12 | 109.0° | 109.9° |
| N1 | C2 | C3 | 111.7° | 109.5° |
| C2 | N1 | C1 | 122.1° | 120.0° |
| C2 | N1 | H1 | 118.9° | 120.0° |
| N1 | C2 | H28 | 109.2° | 109.5° |
| C2 | C3 | C4 | 113.8° | 109.5° |
| C3 | C2 | H28 | 108.2° | 109.4° |
| C2 | C3 | H32 | 108.4° | 109.5° |
| C2 | C3 | H33 | 108.4° | 109.4° |
| S2 | C11 | C10 | 109.5° | 111.9° |
| S2 | C11 | S1 | 107.3° | 106.1° |
| S2 | C11 | C14 | 111.2° | 112.0° |
| C11 | C10 | C9 | 105.0° | 102.7° |
| C10 | C11 | S1 | 112.1° | 111.6° |
| C10 | C11 | C14 | 100.6° | 103.7° |
| C11 | C10 | H9 | 110.6° | 110.8° |
| C11 | C10 | H10 | 110.6° | 110.8° |
| C10 | C9 | C1 | 111.3° | 109.9° |
| C10 | C9 | N4 | 102.5° | 107.4° |
| C9 | C10 | H9 | 110.6° | 110.8° |
| C9 | C10 | H10 | 110.6° | 110.8° |
| C10 | C9 | H34 | 110.4° | 109.9° |
| N1 | C1 | C9 | 116.6° | 120.0° |
| N1 | C1 | O1 | 123.1° | 120.0° |
| C1 | N1 | H1 | 119.0° | 120.0° |
| S1 | C11 | C14 | 116.0° | 111.7° |
| C11 | C14 | N4 | 102.1° | 104.6° |
| C11 | C14 | H23 | 111.3° | 110.4° |
| C11 | C14 | H24 | 111.3° | 110.4° |
| C3 | C4 | C5 | 116.5° | 110.5° |
| C3 | C4 | C7 | 110.0° | 110.5° |
| C3 | C4 | H3 | 109.0° | 110.6° |
| C4 | C3 | H32 | 108.4° | 109.5° |
| C4 | C3 | H33 | 108.4° | 109.5° |
| C9 | C1 | O1 | 120.3° | 120.0° |
| C1 | C9 | N4 | 110.4° | 109.8° |
| C1 | C9 | H34 | 110.5° | 109.8° |
| C9 | N4 | C14 | 111.3° | 108.8° |
| C9 | N4 | C15 | 120.9° | 125.6° |
| N4 | C9 | H34 | 111.5° | 110.0° |
| C14 | N4 | C15 | 127.8° | 125.5° |
| N4 | C14 | H23 | 111.3° | 110.4° |
| N4 | C14 | H24 | 111.3° | 110.4° |
| C5 | C4 | C7 | 102.8° | 104.2° |
| C4 | C5 | C6 | 103.5° | 101.8° |
| C5 | C4 | H3 | 109.1° | 110.5° |
| C4 | C5 | H4 | 111.0° | 111.0° |
| C4 | C5 | H5 | 110.9° | 111.0° |
| C4 | C7 | O2 | 125.1° | 124.9° |
| C4 | C7 | N2 | 108.8° | 110.1° |
| C7 | C4 | H3 | 109.2° | 110.4° |
| N4 | C15 | O4 | 120.9° | 119.9° |
| N4 | C15 | C16 | 118.5° | 120.0° |
| C5 | C6 | N2 | 102.3° | 105.5° |
| C6 | C5 | H4 | 110.9° | 111.0° |
| C6 | C5 | H5 | 111.0° | 111.0° |
| C5 | C6 | H6 | 111.3° | 110.2° |
| C5 | C6 | H7 | 111.2° | 110.2° |
| O2 | C7 | N2 | 126.0° | 125.0° |
| C7 | N2 | C6 | 112.7° | 111.3° |
| C7 | N2 | H35 | 123.7° | 124.4° |
| O4 | C15 | C16 | 120.7° | 120.1° |
| C15 | C16 | C21 | 112.0° | 109.5° |
| C15 | C16 | N5 | 109.5° | 109.5° |
| C15 | C16 | H25 | 106.9° | 109.5° |
| N2 | C6 | H6 | 111.2° | 110.3° |
| N2 | C6 | H7 | 111.3° | 110.3° |
| C6 | N2 | H35 | 123.7° | 124.3° |
| C24 | C21 | C16 | 110.0° | 109.5° |
| C24 | C21 | C23 | 107.8° | 109.4° |
| C24 | C21 | C22 | 108.6° | 109.5° |
| C21 | C24 | H18 | 109.5° | 109.5° |
| C21 | C24 | H19 | 109.5° | 109.4° |
| C21 | C24 | H20 | 109.5° | 109.5° |
| C21 | C16 | N5 | 113.7° | 109.4° |
| C16 | C21 | C23 | 112.0° | 109.4° |
| C16 | C21 | C22 | 110.5° | 109.5° |
| C21 | C16 | H25 | 106.7° | 109.5° |
| C16 | N5 | C17 | 120.9° | 120.0° |
| N5 | C16 | H25 | 107.7° | 109.5° |
| C16 | N5 | H36 | 119.5° | 120.0° |
| C23 | C21 | C22 | 107.9° | 109.5° |
| C21 | C23 | H29 | 109.5° | 109.4° |
| C21 | C23 | H30 | 109.5° | 109.5° |
| C21 | C23 | H31 | 109.5° | 109.4° |
| C21 | C22 | H15 | 109.5° | 109.5° |
| C21 | C22 | H16 | 109.5° | 109.5° |
| C21 | C22 | H17 | 109.4° | 109.5° |
| N5 | C17 | O3 | 122.8° | 120.0° |
| N5 | C17 | C18 | 116.2° | 120.0° |
| C17 | N5 | H36 | 119.6° | 120.0° |
| O3 | C17 | C18 | 121.0° | 120.0° |
| C17 | C18 | C20 | 116.3° | 117.5° |
| C17 | C18 | F1 | 115.3° | 115.6° |
| C17 | C18 | C19 | 117.3° | 117.5° |
| C18 | C20 | C19 | 60.1° | 60.0° |
| C20 | C18 | F1 | 118.8° | 117.5° |
| C20 | C18 | C19 | 59.8° | 60.0° |
| C18 | C20 | H13 | 120.0° | 117.5° |
| C18 | C20 | H14 | 120.0° | 117.4° |
| C20 | C19 | C18 | 60.1° | 60.0° |
| C19 | C20 | H13 | 120.0° | 117.5° |
| C19 | C20 | H14 | 120.0° | 117.5° |
| C20 | C19 | H26 | 120.0° | 117.5° |
| C20 | C19 | H27 | 120.0° | 117.5° |
| F1 | C18 | C19 | 118.2° | 117.5° |
| C18 | C19 | H26 | 120.0° | 117.6° |
| C18 | C19 | H27 | 120.0° | 117.5° |
| H4 | C5 | H5 | 109.5° | 110.8° |
| H6 | C6 | H7 | 109.5° | 110.3° |
| H9 | C10 | H10 | 109.4° | 110.8° |
| H11 | C13 | H12 | 109.5° | 109.9° |
| H13 | C20 | H14 | 109.5° | 115.6° |
| H15 | C22 | H16 | 109.5° | 109.5° |
| H15 | C22 | H17 | 109.5° | 109.4° |
| H16 | C22 | H17 | 109.5° | 109.5° |
| H18 | C24 | H19 | 109.5° | 109.4° |
| H18 | C24 | H20 | 109.5° | 109.5° |
| H19 | C24 | H20 | 109.5° | 109.4° |
| H21 | C12 | H22 | 109.4° | 110.3° |
| H23 | C14 | H24 | 109.5° | 110.5° |
| H26 | C19 | H27 | 109.5° | 115.5° |
| H29 | C23 | H30 | 109.5° | 109.5° |
| H29 | C23 | H31 | 109.4° | 109.4° |
| H30 | C23 | H31 | 109.5° | 109.5° |
| H32 | C3 | H33 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C8 | C2 | N1 | 131.7° | 21.3° |
| N3 | C8 | C2 | C3 | 105.3° | 98.7° |
| N3 | C8 | C2 | H28 | 11.9° | 141.4° |
| C8 | C2 | N1 | C3 | 121.1° | 120.0° |
| C8 | C2 | N1 | H28 | 119.3° | 120.0° |
| C8 | C2 | C3 | H28 | 117.3° | 120.0° |
| C8 | C2 | N1 | C1 | 130.4° | 87.6° |
| C8 | C2 | C3 | C4 | 168.8° | 175.1° |
| C8 | C2 | N1 | H1 | 49.6° | 92.8° |
| C8 | C2 | C3 | H32 | 70.5° | 55.1° |
| C8 | C2 | C3 | H33 | 48.2° | 64.8° |
| C13 | C12 | S1 | H21 | 119.5° | 119.0° |
| C13 | C12 | S1 | H22 | 119.5° | 118.9° |
| C12 | C13 | S2 | H11 | 120.3° | 119.4° |
| C12 | C13 | S2 | H12 | 120.3° | 119.5° |
| C12 | C13 | S2 | C11 | 21.8° | 28.7° |
| C13 | C12 | S1 | C11 | 52.3° | 43.4° |
| C12 | C13 | H11 | H12 | 119.2° | 121.3° |
| C13 | C12 | H21 | H22 | 121.5° | 122.1° |
| S1 | C12 | C13 | S2 | 50.4° | 45.7° |
| C12 | S1 | C11 | S2 | 35.9° | 23.4° |
| C12 | S1 | C11 | C10 | 84.4° | 98.6° |
| C12 | S1 | C11 | C14 | 160.9° | 145.8° |
| S1 | C12 | C13 | H11 | 170.6° | 165.1° |
| S1 | C12 | C13 | H12 | 69.9° | 73.7° |
| S1 | C12 | H21 | H22 | 121.5° | 122.1° |
| C13 | S2 | C11 | C10 | 108.4° | 121.7° |
| C13 | S2 | C11 | S1 | 13.5° | 0.2° |
| C13 | S2 | C11 | C14 | 141.3° | 122.4° |
| S2 | C13 | H11 | H12 | 119.2° | 121.1° |
| S2 | C13 | C12 | H21 | 169.9° | 164.6° |
| S2 | C13 | C12 | H22 | 69.1° | 73.2° |
| N1 | C2 | C3 | H28 | 120.2° | 120.0° |
| C2 | N1 | C1 | H1 | 180.0° | 179.7° |
| N1 | C2 | C3 | C4 | 68.7° | 64.9° |
| C2 | N1 | C1 | C9 | 171.8° | 179.8° |
| C2 | N1 | C1 | O1 | 7.0° | 0.3° |
| N1 | C2 | C3 | H32 | 51.9° | 175.1° |
| N1 | C2 | C3 | H33 | 170.6° | 55.2° |
| C3 | C2 | N1 | C1 | 108.6° | 152.4° |
| C2 | C3 | C4 | H32 | 120.7° | 120.0° |
| C2 | C3 | C4 | H33 | 120.7° | 120.0° |
| C2 | C3 | C4 | C5 | 62.4° | 64.6° |
| C2 | C3 | C4 | C7 | 178.8° | 179.3° |
| C3 | C2 | N1 | H1 | 71.4° | 27.2° |
| C2 | C3 | C4 | H3 | 61.5° | 58.1° |
| C2 | C3 | H32 | H33 | 118.0° | 119.9° |
| S2 | C11 | C10 | S1 | 119.0° | 118.7° |
| S2 | C11 | C10 | C14 | 117.2° | 120.9° |
| S2 | C11 | C10 | C9 | 157.2° | 154.3° |
| S2 | C11 | S1 | C14 | 125.0° | 122.4° |
| S2 | C11 | C14 | N4 | 156.9° | 155.5° |
| S2 | C11 | C10 | H9 | 83.5° | 87.4° |
| S2 | C11 | C10 | H10 | 37.9° | 36.0° |
| C11 | S2 | C13 | H11 | 142.1° | 148.1° |
| C11 | S2 | C13 | H12 | 98.4° | 90.8° |
| S2 | C11 | C14 | H23 | 38.1° | 36.8° |
| S2 | C11 | C14 | H24 | 84.3° | 85.6° |
| C11 | C10 | C9 | H9 | 119.3° | 118.3° |
| C11 | C10 | C9 | H10 | 119.3° | 118.3° |
| C10 | C11 | S1 | C14 | 114.7° | 115.6° |
| C11 | C10 | C9 | C1 | 141.1° | 140.0° |
| C11 | C10 | C9 | N4 | 23.0° | 20.6° |
| C10 | C11 | C14 | N4 | 41.0° | 34.8° |
| C11 | C10 | H9 | H10 | 122.1° | 123.4° |
| C10 | C11 | C14 | H23 | 77.8° | 84.0° |
| C10 | C11 | C14 | H24 | 159.8° | 153.6° |
| C11 | C10 | C9 | H34 | 95.8° | 99.0° |
| C10 | C9 | C1 | N1 | 105.8° | 80.0° |
| C9 | C10 | C11 | S1 | 83.8° | 87.0° |
| C9 | C10 | C11 | C14 | 40.0° | 33.4° |
| C10 | C9 | C1 | N4 | 113.2° | 117.9° |
| C10 | C9 | C1 | H34 | 123.0° | 121.0° |
| C10 | C9 | C1 | O1 | 73.0° | 100.0° |
| C10 | C9 | N4 | H34 | 118.1° | 119.6° |
| C10 | C9 | N4 | C14 | 3.6° | 0.9° |
| C10 | C9 | N4 | C15 | 177.2° | 179.1° |
| C9 | C10 | H9 | H10 | 122.1° | 123.3° |
| N1 | C1 | C9 | O1 | 178.8° | 179.9° |
| N1 | C1 | C9 | N4 | 141.0° | 162.1° |
| C1 | N1 | C2 | H28 | 11.1° | 32.4° |
| N1 | C1 | C9 | H34 | 17.2° | 41.1° |
| S1 | C11 | C14 | N4 | 80.1° | 85.5° |
| S1 | C11 | C10 | H9 | 35.5° | 31.4° |
| S1 | C11 | C10 | H10 | 156.9° | 154.7° |
| C11 | S1 | C12 | H21 | 171.8° | 162.4° |
| C11 | S1 | C12 | H22 | 67.2° | 75.5° |
| S1 | C11 | C14 | H23 | 161.1° | 155.7° |
| S1 | C11 | C14 | H24 | 38.7° | 33.3° |
| C11 | C14 | N4 | C9 | 28.6° | 22.2° |
| C11 | C14 | N4 | H23 | 118.8° | 118.8° |
| C11 | C14 | N4 | H24 | 118.8° | 118.8° |
| C11 | C14 | N4 | C15 | 152.2° | 157.8° |
| C14 | C11 | C10 | H9 | 159.3° | 151.8° |
| C14 | C11 | C10 | H10 | 79.3° | 84.9° |
| C11 | C14 | H23 | H24 | 123.5° | 122.4° |
| C3 | C4 | C5 | C7 | 120.3° | 118.7° |
| C3 | C4 | C5 | H3 | 123.9° | 122.7° |
| C3 | C4 | C7 | H3 | 119.6° | 122.6° |
| C3 | C4 | C5 | C6 | 148.4° | 143.5° |
| C3 | C4 | C7 | O2 | 39.6° | 45.1° |
| C3 | C4 | C7 | N2 | 139.6° | 134.9° |
| C3 | C4 | C5 | H4 | 29.4° | 25.3° |
| C3 | C4 | C5 | H5 | 92.5° | 98.4° |
| C4 | C3 | C2 | H28 | 51.5° | 55.2° |
| C4 | C3 | H32 | H33 | 118.0° | 120.0° |
| C1 | C9 | N4 | H34 | 123.2° | 121.0° |
| C1 | C9 | N4 | C14 | 115.1° | 118.6° |
| C1 | C9 | N4 | C15 | 64.1° | 61.4° |
| C9 | C1 | N1 | H1 | 8.2° | 0.1° |
| C1 | C9 | C10 | H9 | 99.6° | 101.7° |
| C1 | C9 | C10 | H10 | 21.8° | 21.7° |
| O1 | C1 | C9 | N4 | 40.2° | 17.9° |
| O1 | C1 | N1 | H1 | 173.0° | 180.0° |
| O1 | C1 | C9 | H34 | 164.0° | 139.0° |
| C9 | N4 | C14 | C15 | 179.2° | 180.0° |
| C9 | N4 | C15 | O4 | 3.0° | 5.0° |
| C9 | N4 | C15 | C16 | 176.8° | 175.0° |
| N4 | C9 | C10 | H9 | 142.3° | 138.9° |
| N4 | C9 | C10 | H10 | 96.2° | 97.7° |
| C9 | N4 | C14 | H23 | 90.2° | 96.6° |
| C9 | N4 | C14 | H24 | 147.5° | 141.0° |
| C14 | N4 | C15 | O4 | 177.9° | 175.0° |
| C14 | N4 | C15 | C16 | 2.3° | 5.0° |
| N4 | C14 | H23 | H24 | 123.4° | 122.4° |
| C14 | N4 | C9 | H34 | 121.7° | 120.4° |
| C5 | C4 | C7 | H3 | 115.7° | 118.7° |
| C4 | C5 | C6 | H4 | 119.0° | 118.2° |
| C4 | C5 | C6 | H5 | 119.0° | 118.1° |
| C5 | C4 | C7 | O2 | 164.3° | 163.8° |
| C5 | C4 | C7 | N2 | 14.9° | 16.2° |
| C4 | C5 | C6 | N2 | 30.9° | 25.4° |
| C4 | C5 | H4 | H5 | 122.8° | 123.8° |
| C4 | C5 | C6 | H6 | 149.7° | 144.5° |
| C4 | C5 | C6 | H7 | 87.9° | 93.6° |
| C5 | C4 | C3 | H32 | 176.9° | 55.5° |
| C5 | C4 | C3 | H33 | 58.2° | 175.4° |
| C7 | C4 | C5 | C6 | 28.1° | 24.8° |
| C4 | C7 | O2 | N2 | 179.1° | 180.0° |
| C4 | C7 | N2 | C6 | 5.4° | 0.5° |
| C7 | C4 | C5 | H4 | 91.0° | 93.4° |
| C7 | C4 | C5 | H5 | 147.1° | 142.9° |
| C7 | C4 | C3 | H32 | 60.5° | 59.3° |
| C7 | C4 | C3 | H33 | 58.1° | 60.7° |
| C4 | C7 | N2 | H35 | 174.6° | 179.6° |
| N4 | C15 | O4 | C16 | 179.7° | 180.0° |
| N4 | C15 | C16 | C21 | 102.5° | 92.7° |
| N4 | C15 | C16 | N5 | 130.4° | 147.4° |
| C15 | N4 | C14 | H23 | 89.0° | 83.4° |
| C15 | N4 | C14 | H24 | 33.4° | 39.0° |
| N4 | C15 | C16 | H25 | 13.9° | 27.4° |
| C15 | N4 | C9 | H34 | 59.1° | 59.6° |
| C5 | C6 | N2 | C7 | 23.4° | 17.1° |
| C5 | C6 | N2 | H6 | 118.8° | 119.0° |
| C5 | C6 | N2 | H7 | 118.8° | 119.0° |
| C6 | C5 | C4 | H3 | 87.7° | 93.8° |
| C6 | C5 | H4 | H5 | 122.8° | 123.8° |
| C5 | C6 | H6 | H7 | 123.3° | 122.0° |
| C5 | C6 | N2 | H35 | 156.6° | 163.0° |
| O2 | C7 | N2 | C6 | 175.4° | 179.6° |
| O2 | C7 | C4 | H3 | 80.0° | 77.6° |
| O2 | C7 | N2 | H35 | 4.6° | 0.3° |
| C7 | N2 | C6 | H35 | 180.0° | 179.9° |
| N2 | C7 | C4 | H3 | 100.8° | 102.5° |
| C7 | N2 | C6 | H6 | 142.2° | 136.1° |
| C7 | N2 | C6 | H7 | 95.4° | 101.9° |
| O4 | C15 | C16 | C21 | 77.2° | 87.4° |
| O4 | C15 | C16 | N5 | 49.9° | 32.6° |
| O4 | C15 | C16 | H25 | 166.3° | 152.6° |
| C15 | C16 | C21 | C24 | 59.1° | 59.6° |
| C15 | C16 | C21 | N5 | 124.8° | 120.0° |
| C15 | C16 | C21 | H25 | 116.6° | 120.0° |
| C15 | C16 | N5 | H25 | 115.9° | 120.0° |
| C15 | C16 | C21 | C23 | 60.7° | 60.3° |
| C15 | C16 | C21 | C22 | 178.9° | 179.7° |
| C15 | C16 | N5 | C17 | 116.3° | 155.0° |
| C15 | C16 | N5 | H36 | 63.7° | 25.0° |
| N2 | C6 | C5 | H4 | 88.1° | 92.7° |
| N2 | C6 | C5 | H5 | 149.9° | 143.6° |
| N2 | C6 | H6 | H7 | 123.4° | 122.0° |
| C24 | C21 | C16 | C23 | 119.8° | 119.9° |
| C24 | C21 | C16 | C22 | 119.8° | 120.0° |
| C24 | C21 | C16 | N5 | 176.1° | 60.4° |
| C24 | C21 | C23 | C22 | 117.1° | 120.0° |
| C24 | C21 | C22 | H15 | 180.0° | 180.0° |
| C24 | C21 | C22 | H16 | 60.0° | 60.0° |
| C24 | C21 | C22 | H17 | 60.0° | 60.0° |
| C21 | C24 | H18 | H19 | 120.0° | 120.0° |
| C21 | C24 | H18 | H20 | 120.0° | 120.1° |
| C21 | C24 | H19 | H20 | 120.0° | 120.0° |
| C24 | C21 | C16 | H25 | 57.5° | 179.7° |
| C24 | C21 | C23 | H29 | 180.0° | 55.7° |
| C24 | C21 | C23 | H30 | 60.0° | 64.4° |
| C24 | C21 | C23 | H31 | 60.0° | 175.6° |
| C21 | C16 | N5 | H25 | 118.0° | 120.0° |
| C16 | C21 | C23 | C22 | 121.8° | 120.0° |
| C21 | C16 | N5 | C17 | 117.6° | 85.0° |
| C16 | C21 | C22 | H15 | 59.3° | 60.0° |
| C16 | C21 | C22 | H16 | 179.4° | 60.0° |
| C16 | C21 | C22 | H17 | 60.7° | 180.0° |
| C16 | C21 | C24 | H18 | 180.0° | 180.0° |
| C16 | C21 | C24 | H19 | 60.0° | 60.0° |
| C16 | C21 | C24 | H20 | 60.0° | 59.9° |
| C16 | C21 | C23 | H29 | 58.9° | 175.6° |
| C16 | C21 | C23 | H30 | 61.1° | 55.6° |
| C16 | C21 | C23 | H31 | 178.9° | 64.5° |
| C21 | C16 | N5 | H36 | 62.4° | 95.0° |
| N5 | C16 | C21 | C23 | 64.1° | 179.7° |
| N5 | C16 | C21 | C22 | 56.3° | 59.7° |
| C16 | N5 | C17 | H36 | 180.0° | 180.0° |
| C16 | N5 | C17 | O3 | 3.7° | 0.0° |
| C16 | N5 | C17 | C18 | 176.2° | 180.0° |
| C23 | C21 | C22 | H15 | 63.4° | 60.0° |
| C23 | C21 | C22 | H16 | 56.6° | 180.0° |
| C23 | C21 | C22 | H17 | 176.6° | 60.0° |
| C23 | C21 | C24 | H18 | 57.7° | 60.0° |
| C23 | C21 | C24 | H19 | 62.4° | 180.0° |
| C23 | C21 | C24 | H20 | 177.7° | 60.0° |
| C23 | C21 | C16 | H25 | 177.3° | 59.7° |
| C21 | C23 | H29 | H30 | 120.0° | 120.1° |
| C21 | C23 | H29 | H31 | 120.0° | 119.9° |
| C21 | C23 | H30 | H31 | 120.0° | 120.0° |
| C21 | C22 | H15 | H16 | 120.0° | 120.0° |
| C21 | C22 | H15 | H17 | 120.0° | 120.0° |
| C21 | C22 | H16 | H17 | 120.0° | 120.0° |
| C22 | C21 | C24 | H18 | 59.0° | 60.0° |
| C22 | C21 | C24 | H19 | 179.0° | 60.0° |
| C22 | C21 | C24 | H20 | 61.0° | 179.9° |
| C22 | C21 | C16 | H25 | 62.3° | 60.3° |
| C22 | C21 | C23 | H29 | 62.9° | 64.4° |
| C22 | C21 | C23 | H30 | 177.0° | 175.6° |
| C22 | C21 | C23 | H31 | 57.1° | 55.6° |
| N5 | C17 | O3 | C18 | 179.9° | 180.0° |
| N5 | C17 | C18 | C20 | 23.6° | 180.0° |
| N5 | C17 | C18 | F1 | 169.4° | 34.3° |
| N5 | C17 | C18 | C19 | 44.3° | 111.3° |
| C17 | N5 | C16 | H25 | 0.3° | 35.0° |
| O3 | C17 | C18 | C20 | 156.2° | 0.0° |
| O3 | C17 | C18 | F1 | 10.4° | 145.7° |
| O3 | C17 | C18 | C19 | 135.8° | 68.6° |
| O3 | C17 | N5 | H36 | 176.3° | 180.0° |
| C17 | C18 | C20 | F1 | 144.6° | 145.0° |
| C17 | C18 | C20 | C19 | 107.8° | 107.5° |
| C17 | C18 | F1 | C19 | 146.0° | 145.7° |
| C17 | C18 | C20 | H13 | 142.7° | 145.0° |
| C17 | C18 | C20 | H14 | 1.7° | 0.0° |
| C17 | C18 | C19 | H26 | 144.5° | 145.0° |
| C17 | C18 | C19 | H27 | 3.4° | 0.1° |
| C18 | C17 | N5 | H36 | 3.8° | 0.0° |
| C18 | C20 | C19 | H13 | 109.5° | 107.5° |
| C18 | C20 | C19 | H14 | 109.5° | 107.4° |
| C20 | C18 | F1 | C19 | 69.1° | 68.6° |
| C18 | C20 | H13 | H14 | 144.7° | 145.7° |
| C18 | C20 | C19 | H26 | 109.5° | 107.6° |
| C18 | C20 | C19 | H27 | 109.5° | 107.5° |
| C19 | C20 | H13 | H14 | 144.7° | 145.7° |
| C20 | C19 | H26 | H27 | 144.7° | 145.6° |
| F1 | C18 | C20 | H13 | 1.8° | 0.0° |
| F1 | C18 | C20 | H14 | 142.8° | 145.0° |
| F1 | C18 | C19 | H26 | 0.8° | 0.0° |
| F1 | C18 | C19 | H27 | 141.8° | 145.1° |
| C18 | C19 | H26 | H27 | 144.7° | 145.7° |
| H1 | N1 | C2 | H28 | 168.9° | 147.2° |
| H3 | C4 | C5 | H4 | 153.3° | 148.0° |
| H3 | C4 | C5 | H5 | 31.4° | 24.3° |
| H3 | C4 | C3 | H32 | 59.1° | 178.1° |
| H3 | C4 | C3 | H33 | 177.8° | 61.9° |
| H4 | C5 | C6 | H6 | 30.7° | 26.3° |
| H4 | C5 | C6 | H7 | 153.0° | 148.3° |
| H5 | C5 | C6 | H6 | 91.2° | 97.4° |
| H5 | C5 | C6 | H7 | 31.1° | 24.5° |
| H6 | C6 | N2 | H35 | 37.8° | 44.0° |
| H7 | C6 | N2 | H35 | 84.5° | 78.0° |
| H9 | C10 | C9 | H34 | 23.5° | 19.3° |
| H10 | C10 | C9 | H34 | 144.9° | 142.7° |
| H11 | C13 | C12 | H21 | 69.8° | 76.0° |
| H11 | C13 | C12 | H22 | 51.1° | 46.2° |
| H12 | C13 | C12 | H21 | 49.6° | 45.3° |
| H12 | C13 | C12 | H22 | 170.6° | 167.4° |
| H13 | C20 | C19 | H26 | 0.0° | 0.0° |
| H13 | C20 | C19 | H27 | 141.0° | 145.0° |
| H14 | C20 | C19 | H26 | 141.0° | 145.0° |
| H14 | C20 | C19 | H27 | 0.0° | 0.1° |
| H15 | C22 | H16 | H17 | 120.0° | 119.9° |
| H18 | C24 | H19 | H20 | 120.0° | 120.0° |
| H25 | C16 | N5 | H36 | 179.7° | 145.0° |
| H28 | C2 | C3 | H32 | 172.1° | 64.8° |
| H28 | C2 | C3 | H33 | 69.2° | 175.2° |
| H29 | C23 | H30 | H31 | 120.0° | 120.0° |
