OFW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | S | doub | 1.42Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | N | sing | 1.47Å | 1.47Å | |
| C2 | O2 | sing | 1.43Å | 1.44Å | |
| S | N | sing | 1.66Å | 1.63Å | |
| S | O1 | doub | 1.42Å | 1.43Å | |
| S | C17 | sing | 1.76Å | 1.76Å | |
| N | C | sing | 1.47Å | 1.47Å | |
| C25 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | N1 | sing | 1.47Å | 1.45Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| N1 | C4 | sing | 1.35Å | 1.33Å | |
| O2 | C1 | sing | 1.43Å | 1.44Å | |
| C24 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| N2 | C6 | sing | 1.47Å | 1.48Å | |
| C4 | O3 | doub | 1.21Å | 1.22Å | |
| C4 | C1 | sing | 1.51Å | 1.54Å | |
| O5 | C23 | doub | 1.21Å | 1.22Å | |
| C7 | C6 | sing | 1.53Å | 1.55Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C7 | C12 | sing | 1.53Å | 1.53Å | |
| C6 | C14 | sing | 1.53Å | 1.55Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| C1 | C16 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C18 | N3 | doub | 1.32Å | 1.34Å | Aromatic |
| C19 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| C19 | N4 | sing | 1.40Å | 1.44Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C23 | N4 | sing | 1.34Å | 1.40Å | |
| C23 | C22 | sing | 1.51Å | 1.50Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| N4 | C20 | sing | 1.34Å | 1.40Å | |
| C9 | C15 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.54Å | 1.52Å | |
| C11 | C13 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| C20 | O4 | doub | 1.21Å | 1.22Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C5 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.08Å | 1.08Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| N2 | H18 | sing | 1.01Å | 1.00Å | |
| N2 | H19 | sing | 1.01Å | 1.00Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C11 | H27 | sing | 1.09Å | 1.10Å | |
| C9 | H28 | sing | 1.09Å | 1.10Å | |
| C | H29 | sing | 1.09Å | 1.10Å | |
| C | H30 | sing | 1.09Å | 1.10Å | |
| C21 | H31 | sing | 1.09Å | 1.10Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.08Å | 1.08Å | |
| C25 | H34 | sing | 1.08Å | 1.08Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | S | N | 106.7° | 106.4° |
| O | S | O1 | 120.0° | 123.2° |
| O | S | C17 | 108.3° | 106.4° |
| C2 | C3 | N | 108.3° | 108.4° |
| C3 | C2 | O2 | 111.3° | 109.2° |
| C3 | C2 | H13 | 109.0° | 109.6° |
| C3 | C2 | H14 | 109.0° | 109.5° |
| C2 | C3 | H16 | 109.7° | 109.7° |
| C2 | C3 | H17 | 109.7° | 109.6° |
| C3 | N | S | 116.8° | 121.0° |
| C3 | N | C | 112.3° | 118.0° |
| N | C3 | H16 | 109.8° | 109.7° |
| N | C3 | H17 | 109.8° | 109.7° |
| C2 | O2 | C1 | 114.9° | 114.2° |
| O2 | C2 | H13 | 109.0° | 109.5° |
| O2 | C2 | H14 | 109.0° | 109.5° |
| N | S | O1 | 106.7° | 106.4° |
| N | S | C17 | 106.5° | 107.2° |
| S | N | C | 115.5° | 121.0° |
| O1 | S | C17 | 107.9° | 106.4° |
| S | C17 | C25 | 120.2° | 120.4° |
| S | C17 | C18 | 120.6° | 120.4° |
| N | C | C1 | 112.5° | 108.4° |
| N | C | H29 | 108.7° | 109.7° |
| N | C | H30 | 108.7° | 109.7° |
| C17 | C25 | C24 | 119.2° | 118.5° |
| C25 | C17 | C18 | 119.0° | 119.3° |
| C17 | C25 | H34 | 120.4° | 120.7° |
| C25 | C24 | C19 | 117.7° | 119.1° |
| C25 | C24 | H33 | 121.2° | 120.5° |
| C24 | C25 | H34 | 120.4° | 120.7° |
| N1 | C5 | C6 | 111.0° | 109.5° |
| C5 | N1 | C4 | 122.8° | 120.0° |
| C5 | N1 | H1 | 118.6° | 120.0° |
| N1 | C5 | H2 | 109.1° | 109.4° |
| N1 | C5 | H3 | 109.1° | 109.5° |
| C5 | C6 | N2 | 109.9° | 109.5° |
| C5 | C6 | C7 | 111.3° | 109.5° |
| C5 | C6 | C14 | 110.6° | 109.5° |
| C6 | C5 | H2 | 109.1° | 109.5° |
| C6 | C5 | H3 | 109.1° | 109.5° |
| C17 | C18 | N3 | 123.0° | 120.9° |
| C17 | C18 | H15 | 118.5° | 119.6° |
| N1 | C4 | O3 | 123.6° | 120.0° |
| N1 | C4 | C1 | 116.4° | 120.0° |
| C4 | N1 | H1 | 118.6° | 120.0° |
| O2 | C1 | C4 | 110.0° | 109.5° |
| O2 | C1 | C | 108.1° | 109.3° |
| O2 | C1 | C16 | 107.4° | 109.5° |
| C24 | C19 | N3 | 123.7° | 120.6° |
| C24 | C19 | N4 | 120.2° | 119.7° |
| C19 | C24 | H33 | 121.2° | 120.4° |
| N2 | C6 | C7 | 109.6° | 109.4° |
| N2 | C6 | C14 | 107.9° | 109.5° |
| C6 | N2 | H18 | 109.5° | 111.0° |
| C6 | N2 | H19 | 109.5° | 111.0° |
| O3 | C4 | C1 | 119.9° | 119.9° |
| C4 | C1 | C | 111.9° | 109.6° |
| C4 | C1 | C16 | 107.8° | 109.5° |
| O5 | C23 | N4 | 124.0° | 125.4° |
| O5 | C23 | C22 | 128.0° | 125.4° |
| C6 | C7 | C8 | 110.0° | 109.5° |
| C6 | C7 | C12 | 110.0° | 109.5° |
| C7 | C6 | C14 | 107.5° | 109.4° |
| C6 | C7 | H4 | 109.2° | 109.4° |
| C8 | C7 | C12 | 108.6° | 109.5° |
| C7 | C8 | C9 | 109.9° | 109.5° |
| C8 | C7 | H4 | 109.5° | 109.4° |
| C7 | C8 | H5 | 109.4° | 109.5° |
| C7 | C8 | H6 | 109.4° | 109.5° |
| C7 | C12 | C11 | 109.9° | 109.5° |
| C12 | C7 | H4 | 109.5° | 109.5° |
| C7 | C12 | H25 | 109.4° | 109.5° |
| C7 | C12 | H26 | 109.4° | 109.5° |
| C6 | C14 | C15 | 110.1° | 109.5° |
| C6 | C14 | C13 | 110.2° | 109.5° |
| C6 | C14 | H24 | 109.2° | 109.4° |
| C | C1 | C16 | 111.5° | 109.5° |
| C1 | C | H29 | 108.7° | 109.7° |
| C1 | C | H30 | 108.7° | 109.7° |
| C1 | C16 | H21 | 109.5° | 109.5° |
| C1 | C16 | H22 | 109.5° | 109.5° |
| C1 | C16 | H23 | 109.5° | 109.5° |
| C8 | C9 | C15 | 109.5° | 109.5° |
| C8 | C9 | C10 | 109.5° | 109.4° |
| C9 | C8 | H5 | 109.3° | 109.5° |
| C9 | C8 | H6 | 109.4° | 109.5° |
| C8 | C9 | H28 | 109.5° | 109.5° |
| C18 | N3 | C19 | 117.5° | 121.6° |
| N3 | C18 | H15 | 118.5° | 119.5° |
| N3 | C19 | N4 | 116.1° | 119.6° |
| C19 | N4 | C23 | 123.2° | 122.8° |
| C19 | N4 | C20 | 123.9° | 122.7° |
| C12 | C11 | C13 | 109.5° | 109.4° |
| C12 | C11 | C10 | 109.5° | 109.4° |
| C11 | C12 | H25 | 109.3° | 109.5° |
| C11 | C12 | H26 | 109.3° | 109.5° |
| C12 | C11 | H27 | 109.5° | 109.4° |
| N4 | C23 | C22 | 108.0° | 109.2° |
| C23 | N4 | C20 | 112.9° | 114.5° |
| C23 | C22 | C21 | 105.6° | 103.6° |
| C23 | C22 | H32 | 110.4° | 110.8° |
| C23 | C22 | H35 | 110.4° | 110.6° |
| C15 | C14 | C13 | 108.4° | 109.5° |
| C14 | C15 | C9 | 109.8° | 109.5° |
| C14 | C15 | H11 | 109.4° | 109.5° |
| C14 | C15 | H12 | 109.4° | 109.5° |
| C15 | C14 | H24 | 109.5° | 109.5° |
| C14 | C13 | C11 | 109.9° | 109.5° |
| C14 | C13 | H9 | 109.4° | 109.5° |
| C14 | C13 | H10 | 109.4° | 109.5° |
| C13 | C14 | H24 | 109.5° | 109.5° |
| N4 | C20 | C21 | 108.0° | 109.2° |
| N4 | C20 | O4 | 124.2° | 125.4° |
| C15 | C9 | C10 | 109.5° | 109.5° |
| C9 | C15 | H11 | 109.4° | 109.4° |
| C9 | C15 | H12 | 109.4° | 109.5° |
| C15 | C9 | H28 | 109.5° | 109.5° |
| C9 | C10 | C11 | 109.3° | 109.5° |
| C9 | C10 | H7 | 109.5° | 109.4° |
| C9 | C10 | H8 | 109.5° | 109.5° |
| C10 | C9 | H28 | 109.4° | 109.4° |
| C22 | C21 | C20 | 105.5° | 103.5° |
| C22 | C21 | H31 | 110.4° | 110.7° |
| C21 | C22 | H32 | 110.4° | 110.6° |
| C22 | C21 | H20 | 110.5° | 110.8° |
| C21 | C22 | H35 | 110.4° | 110.5° |
| C13 | C11 | C10 | 109.4° | 109.5° |
| C11 | C13 | H9 | 109.4° | 109.4° |
| C11 | C13 | H10 | 109.4° | 109.5° |
| C13 | C11 | H27 | 109.5° | 109.5° |
| C11 | C10 | H7 | 109.5° | 109.5° |
| C11 | C10 | H8 | 109.5° | 109.5° |
| C10 | C11 | H27 | 109.5° | 109.5° |
| C21 | C20 | O4 | 127.8° | 125.4° |
| C20 | C21 | H31 | 110.4° | 110.6° |
| C20 | C21 | H20 | 110.5° | 110.6° |
| H2 | C5 | H3 | 109.5° | 109.4° |
| H5 | C8 | H6 | 109.5° | 109.5° |
| H7 | C10 | H8 | 109.4° | 109.5° |
| H9 | C13 | H10 | 109.4° | 109.5° |
| H11 | C15 | H12 | 109.4° | 109.4° |
| H13 | C2 | H14 | 109.5° | 109.5° |
| H16 | C3 | H17 | 109.5° | 109.7° |
| H18 | N2 | H19 | 109.5° | 111.1° |
| H21 | C16 | H22 | 109.5° | 109.5° |
| H21 | C16 | H23 | 109.5° | 109.4° |
| H22 | C16 | H23 | 109.5° | 109.5° |
| H25 | C12 | H26 | 109.5° | 109.5° |
| H29 | C | H30 | 109.5° | 109.7° |
| H31 | C21 | H20 | 109.5° | 110.5° |
| H32 | C22 | H35 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | S | N | C3 | 38.1° | 23.5° |
| O | S | N | O1 | 129.4° | 132.9° |
| O | S | N | C17 | 115.5° | 113.6° |
| O | S | O1 | C17 | 124.6° | 123.0° |
| O | S | N | C | 173.4° | 156.4° |
| O | S | C17 | C25 | 32.0° | 23.5° |
| O | S | C17 | C18 | 152.1° | 156.4° |
| C2 | C3 | N | H16 | 119.8° | 119.7° |
| C2 | C3 | N | H17 | 119.8° | 119.7° |
| C3 | C2 | O2 | H13 | 120.3° | 120.0° |
| C3 | C2 | O2 | H14 | 120.3° | 119.9° |
| C2 | C3 | N | S | 167.7° | 129.5° |
| C2 | C3 | N | C | 55.7° | 50.5° |
| C3 | C2 | O2 | C1 | 58.5° | 62.5° |
| C3 | C2 | H13 | H14 | 119.2° | 120.1° |
| C2 | C3 | H16 | H17 | 120.5° | 120.5° |
| N | C3 | C2 | O2 | 56.0° | 52.3° |
| C3 | N | S | C | 135.2° | 180.0° |
| C3 | N | S | O1 | 167.5° | 156.5° |
| C3 | N | S | C17 | 77.4° | 90.0° |
| C3 | N | C | C1 | 55.6° | 50.5° |
| N | C3 | C2 | H13 | 176.3° | 172.2° |
| N | C3 | C2 | H14 | 64.2° | 67.6° |
| N | C3 | H16 | H17 | 120.5° | 120.6° |
| C3 | N | C | H29 | 176.0° | 170.3° |
| C3 | N | C | H30 | 64.8° | 69.2° |
| C2 | O2 | C1 | C4 | 68.0° | 177.5° |
| C2 | O2 | C1 | C | 54.5° | 62.5° |
| C2 | O2 | C1 | C16 | 175.0° | 57.4° |
| O2 | C2 | H13 | H14 | 119.2° | 120.1° |
| O2 | C2 | C3 | H16 | 175.9° | 67.5° |
| O2 | C2 | C3 | H17 | 63.8° | 172.0° |
| N | S | O1 | C17 | 114.1° | 114.0° |
| N | S | C17 | C25 | 82.4° | 90.1° |
| N | S | C17 | C18 | 93.4° | 90.0° |
| S | N | C | C1 | 167.2° | 129.5° |
| S | N | C3 | H16 | 47.9° | 110.8° |
| S | N | C3 | H17 | 72.5° | 9.8° |
| S | N | C | H29 | 46.7° | 9.8° |
| S | N | C | H30 | 72.4° | 110.8° |
| O1 | S | N | C | 57.2° | 23.5° |
| O1 | S | C17 | C25 | 163.3° | 156.5° |
| O1 | S | C17 | C18 | 20.8° | 23.5° |
| C17 | S | N | C | 57.8° | 90.0° |
| S | C17 | C25 | C18 | 175.9° | 179.9° |
| S | C17 | C25 | C24 | 175.1° | 180.0° |
| S | C17 | C18 | N3 | 174.9° | 179.9° |
| S | C17 | C18 | H15 | 5.1° | 0.0° |
| S | C17 | C25 | H34 | 4.9° | 0.0° |
| N | C | C1 | O2 | 52.1° | 52.3° |
| N | C | C1 | C4 | 69.2° | 172.3° |
| N | C | C1 | H29 | 120.4° | 119.7° |
| N | C | C1 | H30 | 120.5° | 119.7° |
| N | C | C1 | C16 | 169.9° | 67.6° |
| C | N | C3 | H16 | 175.5° | 69.2° |
| C | N | C3 | H17 | 64.1° | 170.3° |
| N | C | H29 | H30 | 118.6° | 120.5° |
| C17 | C25 | C24 | H34 | 180.0° | 180.0° |
| C17 | C25 | C24 | C19 | 0.3° | 0.0° |
| C25 | C17 | C18 | N3 | 1.0° | 0.0° |
| C25 | C17 | C18 | H15 | 178.9° | 180.0° |
| C17 | C25 | C24 | H33 | 179.7° | 179.9° |
| C24 | C25 | C17 | C18 | 0.9° | 0.0° |
| C25 | C24 | C19 | H33 | 180.0° | 179.9° |
| C25 | C24 | C19 | N3 | 0.1° | 0.0° |
| C25 | C24 | C19 | N4 | 178.7° | 180.0° |
| N1 | C5 | C6 | H2 | 120.2° | 120.0° |
| N1 | C5 | C6 | H3 | 120.2° | 120.0° |
| C5 | N1 | C4 | H1 | 180.0° | 179.7° |
| N1 | C5 | C6 | N2 | 66.1° | 55.0° |
| C5 | N1 | C4 | O3 | 8.4° | 0.3° |
| C5 | N1 | C4 | C1 | 168.6° | 179.8° |
| N1 | C5 | C6 | C7 | 172.4° | 65.0° |
| N1 | C5 | C6 | C14 | 52.9° | 175.0° |
| N1 | C5 | H2 | H3 | 119.3° | 120.0° |
| C6 | C5 | N1 | C4 | 112.1° | 180.0° |
| C5 | C6 | N2 | C7 | 122.6° | 120.0° |
| C5 | C6 | N2 | C14 | 120.7° | 120.1° |
| C5 | C6 | C7 | C14 | 121.3° | 120.0° |
| C5 | C6 | C7 | C8 | 61.5° | 60.0° |
| C5 | C6 | C7 | C12 | 178.9° | 180.0° |
| C5 | C6 | C14 | C15 | 61.9° | 60.0° |
| C5 | C6 | C14 | C13 | 178.6° | NaN° |
| C6 | C5 | N1 | H1 | 67.9° | 0.3° |
| C6 | C5 | H2 | H3 | 119.3° | 120.0° |
| C5 | C6 | C7 | H4 | 58.7° | 60.0° |
| C5 | C6 | N2 | H18 | 180.0° | 59.9° |
| C5 | C6 | N2 | H19 | 60.0° | 176.0° |
| C5 | C6 | C14 | H24 | 58.3° | 60.0° |
| C17 | C18 | N3 | H15 | 180.0° | 180.0° |
| C17 | C18 | N3 | C19 | 0.6° | 0.0° |
| C18 | C17 | C25 | H34 | 179.1° | 180.0° |
| N1 | C4 | C1 | O2 | 29.2° | 34.9° |
| N1 | C4 | O3 | C1 | 176.9° | 180.0° |
| N1 | C4 | C1 | C | 149.4° | 154.7° |
| N1 | C4 | C1 | C16 | 87.6° | 85.1° |
| C4 | N1 | C5 | H2 | 127.7° | 60.0° |
| C4 | N1 | C5 | H3 | 8.1° | 60.0° |
| O2 | C1 | C4 | O3 | 153.7° | 145.0° |
| O2 | C1 | C4 | C | 120.2° | 119.8° |
| O2 | C1 | C4 | C16 | 116.8° | 120.1° |
| O2 | C1 | C | C16 | 117.8° | 119.9° |
| C1 | O2 | C2 | H13 | 178.8° | 177.5° |
| C1 | O2 | C2 | H14 | 61.8° | 57.4° |
| O2 | C1 | C16 | H21 | 180.0° | 180.0° |
| O2 | C1 | C16 | H22 | 60.0° | 59.9° |
| O2 | C1 | C16 | H23 | 60.0° | 60.1° |
| O2 | C1 | C | H29 | 172.5° | 172.0° |
| O2 | C1 | C | H30 | 68.4° | 67.4° |
| C24 | C19 | N3 | C18 | 0.0° | 0.1° |
| C24 | C19 | N3 | N4 | 178.6° | 179.9° |
| C24 | C19 | N4 | C23 | 49.0° | 167.0° |
| C24 | C19 | N4 | C20 | 132.9° | 12.7° |
| C19 | C24 | C25 | H34 | 179.7° | 180.0° |
| N2 | C6 | C7 | C14 | 116.9° | 120.0° |
| N2 | C6 | C7 | C8 | 176.8° | 180.0° |
| N2 | C6 | C7 | C12 | 57.1° | 60.0° |
| N2 | C6 | C14 | C15 | 177.9° | 180.0° |
| N2 | C6 | C14 | C13 | 58.3° | 59.9° |
| N2 | C6 | C5 | H2 | 54.1° | 175.0° |
| N2 | C6 | C5 | H3 | 173.7° | 65.1° |
| N2 | C6 | C7 | H4 | 63.0° | 60.0° |
| C6 | N2 | H18 | H19 | 120.0° | 124.0° |
| N2 | C6 | C14 | H24 | 61.9° | 60.0° |
| O3 | C4 | C1 | C | 33.5° | 25.2° |
| O3 | C4 | C1 | C16 | 89.5° | 94.9° |
| O3 | C4 | N1 | H1 | 171.6° | 180.0° |
| C4 | C1 | C | C16 | 120.8° | 120.1° |
| C1 | C4 | N1 | H1 | 11.4° | 0.0° |
| C4 | C1 | C16 | H21 | 61.5° | 60.0° |
| C4 | C1 | C16 | H22 | 178.5° | 180.0° |
| C4 | C1 | C16 | H23 | 58.5° | 60.0° |
| C4 | C1 | C | H29 | 51.2° | 68.0° |
| C4 | C1 | C | H30 | 170.3° | 52.5° |
| O5 | C23 | N4 | C19 | 2.8° | 0.2° |
| O5 | C23 | N4 | C22 | 179.7° | 179.7° |
| O5 | C23 | N4 | C20 | 178.9° | 179.9° |
| O5 | C23 | C22 | C21 | 178.9° | 180.0° |
| O5 | C23 | C22 | H32 | 61.7° | 61.4° |
| O5 | C23 | C22 | H35 | 59.5° | 61.5° |
| C6 | C7 | C8 | C12 | 120.5° | 120.0° |
| C6 | C7 | C8 | H4 | 120.0° | 119.9° |
| C6 | C7 | C12 | H4 | 120.1° | 120.0° |
| C6 | C7 | C8 | C9 | 60.7° | 60.0° |
| C6 | C7 | C12 | C11 | 60.7° | 60.0° |
| C7 | C6 | C14 | C15 | 59.8° | 60.0° |
| C7 | C6 | C14 | C13 | 59.7° | 60.0° |
| C7 | C6 | C5 | H2 | 67.4° | 55.0° |
| C7 | C6 | C5 | H3 | 52.1° | 175.0° |
| C6 | C7 | C8 | H5 | 179.2° | 180.0° |
| C6 | C7 | C8 | H6 | 59.4° | 60.0° |
| C7 | C6 | N2 | H18 | 57.4° | 60.1° |
| C7 | C6 | N2 | H19 | 177.4° | 64.0° |
| C7 | C6 | C14 | H24 | 180.0° | 180.0° |
| C6 | C7 | C12 | H25 | 59.3° | 60.0° |
| C6 | C7 | C12 | H26 | 179.2° | 180.0° |
| C8 | C7 | C12 | H4 | 119.5° | 120.0° |
| C8 | C7 | C6 | C14 | 59.8° | 60.0° |
| C7 | C8 | C9 | H5 | 120.1° | 120.0° |
| C7 | C8 | C9 | H6 | 120.1° | 120.0° |
| C8 | C7 | C12 | C11 | 59.7° | 60.0° |
| C7 | C8 | C9 | C15 | 59.7° | 60.0° |
| C7 | C8 | C9 | C10 | 60.3° | 60.0° |
| C7 | C8 | H5 | H6 | 119.8° | 120.0° |
| C8 | C7 | C12 | H25 | 179.8° | 180.0° |
| C8 | C7 | C12 | H26 | 60.3° | 60.0° |
| C7 | C8 | C9 | H28 | 179.7° | 180.0° |
| C12 | C7 | C6 | C14 | 59.8° | 60.0° |
| C12 | C7 | C8 | C9 | 59.8° | 60.0° |
| C7 | C12 | C11 | H25 | 120.1° | 120.0° |
| C7 | C12 | C11 | H26 | 120.1° | 120.0° |
| C7 | C12 | C11 | C13 | 59.7° | 60.0° |
| C7 | C12 | C11 | C10 | 60.3° | 60.0° |
| C12 | C7 | C8 | H5 | 60.3° | 60.0° |
| C12 | C7 | C8 | H6 | 179.8° | 180.0° |
| C7 | C12 | H25 | H26 | 119.8° | 120.0° |
| C7 | C12 | C11 | H27 | 179.7° | 180.0° |
| C6 | C14 | C15 | C13 | 120.6° | 120.0° |
| C6 | C14 | C15 | H24 | 120.1° | 120.0° |
| C6 | C14 | C13 | H24 | 120.1° | 120.0° |
| C6 | C14 | C15 | C9 | 60.5° | 60.0° |
| C6 | C14 | C13 | C11 | 60.5° | 60.0° |
| C14 | C6 | C5 | H2 | 173.2° | 65.0° |
| C14 | C6 | C5 | H3 | 67.3° | 55.0° |
| C14 | C6 | C7 | H4 | 180.0° | 180.0° |
| C6 | C14 | C13 | H9 | 179.5° | 180.0° |
| C6 | C14 | C13 | H10 | 59.6° | 60.0° |
| C6 | C14 | C15 | H11 | 59.5° | 60.0° |
| C6 | C14 | C15 | H12 | 179.4° | 180.0° |
| C14 | C6 | N2 | H18 | 59.3° | 180.0° |
| C14 | C6 | N2 | H19 | 60.7° | 56.0° |
| C | C1 | C16 | H21 | 61.7° | 60.2° |
| C | C1 | C16 | H22 | 58.3° | 59.9° |
| C | C1 | C16 | H23 | 178.3° | 179.9° |
| C1 | C | H29 | H30 | 118.6° | 120.5° |
| C1 | C16 | H21 | H22 | 120.0° | 120.0° |
| C1 | C16 | H21 | H23 | 120.0° | 120.0° |
| C1 | C16 | H22 | H23 | 120.0° | 120.0° |
| C16 | C1 | C | H29 | 69.6° | 52.1° |
| C16 | C1 | C | H30 | 49.5° | 172.6° |
| C8 | C9 | C15 | C14 | 59.5° | 60.0° |
| C8 | C9 | C15 | C10 | 120.0° | 120.0° |
| C8 | C9 | C15 | H28 | 120.0° | 120.0° |
| C8 | C9 | C10 | H28 | 120.0° | 120.0° |
| C8 | C9 | C10 | C11 | 60.0° | 60.1° |
| C9 | C8 | C7 | H4 | 179.2° | 179.9° |
| C9 | C8 | H5 | H6 | 119.8° | 120.0° |
| C8 | C9 | C10 | H7 | 60.0° | 180.0° |
| C8 | C9 | C10 | H8 | 180.0° | 60.0° |
| C8 | C9 | C15 | H11 | 60.5° | 60.0° |
| C8 | C9 | C15 | H12 | 179.6° | 180.0° |
| C18 | N3 | C19 | N4 | 178.6° | 180.0° |
| N3 | C19 | N4 | C23 | 129.7° | 13.0° |
| N3 | C19 | N4 | C20 | 48.4° | 167.2° |
| C19 | N3 | C18 | H15 | 179.4° | 180.0° |
| N3 | C19 | C24 | H33 | 179.9° | 179.9° |
| C19 | N4 | C23 | C20 | 178.3° | 179.8° |
| C19 | N4 | C23 | C22 | 177.5° | 179.9° |
| C19 | N4 | C20 | C21 | 177.8° | 180.0° |
| C19 | N4 | C20 | O4 | 2.8° | 0.0° |
| N4 | C19 | C24 | H33 | 1.3° | 0.1° |
| C12 | C11 | C13 | C14 | 59.5° | 60.0° |
| C12 | C11 | C10 | C9 | 60.0° | 60.0° |
| C12 | C11 | C13 | C10 | 120.0° | 120.0° |
| C12 | C11 | C13 | H27 | 120.0° | 120.0° |
| C12 | C11 | C10 | H27 | 120.0° | 120.0° |
| C11 | C12 | C7 | H4 | 179.2° | 180.0° |
| C12 | C11 | C10 | H7 | 60.0° | 180.0° |
| C12 | C11 | C10 | H8 | 180.0° | 60.0° |
| C12 | C11 | C13 | H9 | 179.5° | 180.0° |
| C12 | C11 | C13 | H10 | 60.6° | 60.0° |
| C11 | C12 | H25 | H26 | 119.8° | 120.0° |
| N4 | C23 | C22 | C21 | 0.8° | 0.3° |
| C23 | N4 | C20 | C21 | 0.4° | 0.2° |
| C23 | N4 | C20 | O4 | 178.9° | 179.7° |
| N4 | C23 | C22 | H32 | 118.6° | 118.2° |
| N4 | C23 | C22 | H35 | 120.2° | 118.8° |
| C22 | C23 | N4 | C20 | 0.8° | 0.4° |
| C23 | C22 | C21 | H32 | 119.4° | 118.8° |
| C23 | C22 | C21 | H35 | 119.4° | 118.5° |
| C23 | C22 | C21 | C20 | 0.6° | 0.2° |
| C23 | C22 | C21 | H31 | 119.9° | 118.7° |
| C23 | C22 | H32 | H35 | 121.8° | 123.0° |
| C23 | C22 | C21 | H20 | 118.8° | 118.4° |
| C15 | C14 | C13 | H24 | 119.3° | 120.0° |
| C14 | C15 | C9 | H11 | 120.1° | 120.0° |
| C14 | C15 | C9 | H12 | 120.0° | 120.0° |
| C14 | C15 | C9 | C10 | 60.5° | 60.0° |
| C15 | C14 | C13 | C11 | 60.1° | 60.0° |
| C15 | C14 | C13 | H9 | 60.0° | 60.0° |
| C15 | C14 | C13 | H10 | 179.8° | 180.0° |
| C14 | C15 | H11 | H12 | 119.8° | 120.0° |
| C14 | C15 | C9 | H28 | 179.6° | 180.0° |
| C13 | C14 | C15 | C9 | 60.1° | 60.0° |
| C14 | C13 | C11 | H9 | 120.1° | 120.0° |
| C14 | C13 | C11 | H10 | 120.1° | 120.0° |
| C14 | C13 | C11 | C10 | 60.6° | 60.0° |
| C14 | C13 | H9 | H10 | 119.8° | 120.1° |
| C13 | C14 | C15 | H11 | 179.9° | 180.0° |
| C13 | C14 | C15 | H12 | 60.0° | 60.0° |
| C14 | C13 | C11 | H27 | 179.5° | 180.0° |
| N4 | C20 | C21 | C22 | 0.1° | 0.0° |
| N4 | C20 | C21 | O4 | 179.3° | 180.0° |
| N4 | C20 | C21 | H31 | 119.5° | 118.6° |
| N4 | C20 | C21 | H20 | 119.3° | 118.7° |
| C15 | C9 | C10 | H28 | 120.0° | 120.0° |
| C15 | C9 | C10 | C11 | 60.0° | 60.0° |
| C15 | C9 | C8 | H5 | 179.8° | 180.0° |
| C15 | C9 | C8 | H6 | 60.4° | 60.0° |
| C15 | C9 | C10 | H7 | 180.0° | 60.0° |
| C15 | C9 | C10 | H8 | 60.0° | 180.0° |
| C9 | C15 | H11 | H12 | 119.9° | 120.0° |
| C9 | C15 | C14 | H24 | 179.4° | 180.0° |
| C9 | C10 | C11 | C13 | 60.0° | 60.0° |
| C9 | C10 | C11 | H7 | 120.0° | 119.9° |
| C9 | C10 | C11 | H8 | 120.0° | 120.0° |
| C10 | C9 | C8 | H5 | 59.8° | 60.0° |
| C10 | C9 | C8 | H6 | 179.6° | 180.0° |
| C9 | C10 | H7 | H8 | 120.0° | 120.0° |
| C10 | C9 | C15 | H11 | 179.5° | 180.0° |
| C10 | C9 | C15 | H12 | 59.6° | 60.0° |
| C9 | C10 | C11 | H27 | 180.0° | 180.0° |
| C22 | C21 | C20 | H31 | 119.4° | 118.6° |
| C22 | C21 | C20 | H20 | 119.4° | 118.7° |
| C22 | C21 | C20 | O4 | 179.4° | 180.0° |
| C22 | C21 | H31 | H20 | 121.8° | 123.1° |
| C21 | C22 | H32 | H35 | 121.8° | 122.7° |
| C13 | C11 | C10 | H27 | 120.0° | 120.1° |
| C13 | C11 | C10 | H7 | 180.0° | 60.0° |
| C13 | C11 | C10 | H8 | 60.0° | 180.0° |
| C11 | C13 | H9 | H10 | 119.8° | 120.0° |
| C11 | C13 | C14 | H24 | 179.4° | 180.0° |
| C13 | C11 | C12 | H25 | 60.4° | 60.0° |
| C13 | C11 | C12 | H26 | 179.7° | 180.0° |
| C11 | C10 | H7 | H8 | 120.1° | 120.1° |
| C10 | C11 | C13 | H9 | 59.5° | 60.0° |
| C10 | C11 | C13 | H10 | 179.4° | 180.0° |
| C10 | C11 | C12 | H25 | 179.6° | 180.0° |
| C10 | C11 | C12 | H26 | 59.7° | 60.0° |
| C11 | C10 | C9 | H28 | 180.0° | 180.0° |
| C20 | C21 | H31 | H20 | 121.8° | 122.8° |
| C20 | C21 | C22 | H32 | 118.8° | 118.6° |
| C20 | C21 | C22 | H35 | 119.9° | 118.7° |
| O4 | C20 | C21 | H31 | 61.2° | 61.5° |
| O4 | C20 | C21 | H20 | 60.0° | 61.3° |
| H1 | N1 | C5 | H2 | 52.3° | 120.3° |
| H1 | N1 | C5 | H3 | 171.9° | 119.7° |
| H4 | C7 | C8 | H5 | 59.2° | 60.1° |
| H4 | C7 | C8 | H6 | 60.7° | 60.0° |
| H4 | C7 | C12 | H25 | 60.7° | 60.0° |
| H4 | C7 | C12 | H26 | 59.2° | 60.0° |
| H5 | C8 | C9 | H28 | 60.2° | 60.0° |
| H6 | C8 | C9 | H28 | 59.7° | 60.1° |
| H7 | C10 | C11 | H27 | 60.0° | 60.1° |
| H7 | C10 | C9 | H28 | 60.0° | 60.0° |
| H8 | C10 | C11 | H27 | 60.0° | 59.9° |
| H8 | C10 | C9 | H28 | 60.0° | 60.0° |
| H9 | C13 | C14 | H24 | 59.4° | 60.0° |
| H9 | C13 | C11 | H27 | 60.4° | 60.1° |
| H10 | C13 | C14 | H24 | 60.5° | 60.0° |
| H10 | C13 | C11 | H27 | 59.4° | 60.0° |
| H11 | C15 | C14 | H24 | 60.5° | 60.0° |
| H11 | C15 | C9 | H28 | 59.5° | 60.0° |
| H12 | C15 | C14 | H24 | 59.3° | 60.0° |
| H12 | C15 | C9 | H28 | 60.4° | 59.9° |
| H13 | C2 | C3 | H16 | 63.8° | 52.5° |
| H13 | C2 | C3 | H17 | 56.5° | 68.0° |
| H14 | C2 | C3 | H16 | 55.6° | 172.6° |
| H14 | C2 | C3 | H17 | 176.0° | 52.2° |
| H21 | C16 | H22 | H23 | 120.0° | 120.0° |
| H25 | C12 | C11 | H27 | 59.6° | 60.0° |
| H26 | C12 | C11 | H27 | 60.3° | 60.0° |
| H31 | C21 | C22 | H32 | 0.6° | 0.1° |
| H31 | C21 | C22 | H35 | 120.7° | 122.8° |
| H32 | C22 | C21 | H20 | 121.8° | 122.9° |
| H33 | C24 | C25 | H34 | 0.3° | 0.1° |
| H20 | C21 | C22 | H35 | 0.5° | 0.1° |
