6GN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.47Å | 1.46Å | |
| C1 | C | sing | 1.53Å | 1.57Å | |
| C1 | O | sing | 1.43Å | 1.43Å | |
| O | C2 | sing | 1.43Å | 1.43Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C3 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C4 | sing | 1.43Å | 1.42Å | |
| C4 | C5 | sing | 1.53Å | 1.50Å | |
| C5 | N1 | sing | 1.47Å | 1.46Å | |
| O2 | C6 | doub | 1.21Å | 1.23Å | |
| N1 | C6 | sing | 1.35Å | 1.34Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C9 | O3 | doub | 1.21Å | 1.23Å | |
| C9 | N2 | sing | 1.35Å | 1.34Å | |
| C30 | C29 | doub | 1.39Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.36Å | 1.37Å | Aromatic |
| N2 | C10 | sing | 1.47Å | 1.46Å | |
| C29 | C28 | sing | 1.36Å | 1.35Å | Aromatic |
| C31 | C32 | doub | 1.41Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C28 | C27 | doub | 1.40Å | 1.42Å | Aromatic |
| C32 | C27 | sing | 1.42Å | 1.42Å | Aromatic |
| C32 | N3 | sing | 1.34Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C12 | N3 | sing | 1.46Å | 1.48Å | |
| O6 | S | doub | 1.42Å | 1.46Å | |
| C27 | C15 | sing | 1.41Å | 1.42Å | Aromatic |
| O5 | S | doub | 1.42Å | 1.46Å | |
| N3 | C13 | doub | 1.31Å | 1.33Å | Aromatic |
| O4 | S | sing | 1.52Å | 1.46Å | |
| S | C20 | sing | 1.81Å | 1.78Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C15 | C14 | doub | 1.37Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.39Å | 1.37Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.49Å | |
| C20 | C19 | sing | 1.53Å | 1.44Å | |
| C19 | C18 | sing | 1.53Å | 1.51Å | |
| C17 | N4 | doub | 1.28Å | 1.37Å | Aromatic |
| C17 | S1 | sing | 1.71Å | 1.73Å | Aromatic |
| C18 | N4 | sing | 1.46Å | 1.48Å | |
| N4 | C21 | sing | 1.35Å | 1.40Å | Aromatic |
| S1 | C26 | sing | 1.76Å | 1.75Å | Aromatic |
| C21 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| C21 | C22 | sing | 1.41Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.36Å | 1.38Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| N | H4 | sing | 1.01Å | 1.00Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C4 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C5 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C7 | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C10 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å | |
| C12 | H23 | sing | 1.09Å | 1.10Å | |
| C12 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C19 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H29 | sing | 1.09Å | 1.10Å | |
| C18 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.08Å | 1.08Å | |
| C24 | H32 | sing | 1.08Å | 1.08Å | |
| C23 | H33 | sing | 1.08Å | 1.08Å | |
| C22 | H34 | sing | 1.08Å | 1.08Å | |
| C16 | H35 | sing | 1.09Å | 1.10Å | |
| C16 | H36 | sing | 1.09Å | 1.10Å | |
| C14 | H37 | sing | 1.08Å | 1.08Å | |
| C13 | H38 | sing | 1.08Å | 1.08Å | |
| C31 | H39 | sing | 1.08Å | 1.08Å | |
| C30 | H40 | sing | 1.08Å | 1.08Å | |
| C29 | H41 | sing | 1.08Å | 1.08Å | |
| C28 | H42 | sing | 1.08Å | 1.08Å | |
| N1 | H43 | sing | 0.97Å | 1.00Å | |
| C1 | H44 | sing | 1.09Å | 1.10Å | |
| C1 | H45 | sing | 1.09Å | 1.10Å | |
| O4 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C | C1 | 115.0° | 109.5° |
| N | C | H1 | 108.1° | 109.4° |
| N | C | H2 | 108.0° | 109.5° |
| C | N | H3 | 109.5° | 110.9° |
| C | N | H4 | 109.5° | 111.0° |
| C | C1 | O | 110.6° | 109.5° |
| C1 | C | H1 | 108.1° | 109.4° |
| C1 | C | H2 | 108.1° | 109.5° |
| C | C1 | H44 | 109.2° | 109.4° |
| C | C1 | H45 | 109.2° | 109.4° |
| C1 | O | C2 | 117.5° | 114.0° |
| O | C1 | H44 | 109.2° | 109.5° |
| O | C1 | H45 | 109.2° | 109.5° |
| O | C2 | C3 | 109.6° | 109.5° |
| O | C2 | H6 | 109.4° | 109.5° |
| O | C2 | H7 | 109.4° | 109.4° |
| C2 | C3 | O1 | 111.2° | 109.5° |
| C3 | C2 | H6 | 109.5° | 109.5° |
| C3 | C2 | H7 | 109.4° | 109.5° |
| C2 | C3 | H9 | 109.0° | 109.5° |
| C2 | C3 | H10 | 109.1° | 109.4° |
| C3 | O1 | C4 | 115.7° | 114.0° |
| O1 | C3 | H9 | 109.0° | 109.5° |
| O1 | C3 | H10 | 109.0° | 109.5° |
| O1 | C4 | C5 | 109.7° | 109.4° |
| O1 | C4 | H11 | 109.4° | 109.5° |
| O1 | C4 | H12 | 109.4° | 109.5° |
| C4 | C5 | N1 | 111.1° | 109.5° |
| C5 | C4 | H11 | 109.4° | 109.5° |
| C5 | C4 | H12 | 109.4° | 109.4° |
| C4 | C5 | H13 | 109.0° | 109.5° |
| C4 | C5 | H14 | 109.1° | 109.5° |
| C5 | N1 | C6 | 124.4° | 120.0° |
| N1 | C5 | H13 | 109.1° | 109.4° |
| N1 | C5 | H14 | 109.0° | 109.5° |
| C5 | N1 | H43 | 117.8° | 120.0° |
| O2 | C6 | N1 | 122.3° | 120.0° |
| O2 | C6 | C7 | 122.1° | 120.0° |
| N1 | C6 | C7 | 115.5° | 120.0° |
| C6 | N1 | H43 | 117.8° | 120.0° |
| C6 | C7 | C8 | 114.1° | 109.4° |
| C6 | C7 | H15 | 108.3° | 109.5° |
| C6 | C7 | H16 | 108.3° | 109.5° |
| C7 | C8 | C9 | 113.2° | 109.4° |
| C8 | C7 | H15 | 108.3° | 109.4° |
| C8 | C7 | H16 | 108.3° | 109.5° |
| C7 | C8 | H17 | 108.5° | 109.5° |
| C7 | C8 | H18 | 108.5° | 109.5° |
| C8 | C9 | O3 | 120.8° | 120.0° |
| C8 | C9 | N2 | 116.9° | 120.0° |
| C9 | C8 | H17 | 108.6° | 109.4° |
| C9 | C8 | H18 | 108.5° | 109.4° |
| O3 | C9 | N2 | 122.2° | 120.0° |
| C9 | N2 | C10 | 123.6° | 120.0° |
| C9 | N2 | H8 | 118.2° | 120.0° |
| C29 | C30 | C31 | 120.9° | 121.1° |
| C30 | C29 | C28 | 120.6° | 120.8° |
| C29 | C30 | H40 | 119.6° | 119.5° |
| C30 | C29 | H41 | 119.7° | 119.6° |
| C30 | C31 | C32 | 120.2° | 119.7° |
| C30 | C31 | H39 | 119.9° | 120.1° |
| C31 | C30 | H40 | 119.6° | 119.4° |
| N2 | C10 | C11 | 112.4° | 109.5° |
| C10 | N2 | H8 | 118.2° | 120.0° |
| N2 | C10 | H19 | 108.7° | 109.5° |
| N2 | C10 | H20 | 108.7° | 109.4° |
| C29 | C28 | C27 | 121.0° | 119.6° |
| C28 | C29 | H41 | 119.7° | 119.6° |
| C29 | C28 | H42 | 119.5° | 120.2° |
| C31 | C32 | C27 | 119.2° | 119.1° |
| C31 | C32 | N3 | 122.0° | 121.1° |
| C32 | C31 | H39 | 119.9° | 120.1° |
| C10 | C11 | C12 | 114.6° | 109.5° |
| C11 | C10 | H19 | 108.7° | 109.5° |
| C11 | C10 | H20 | 108.7° | 109.5° |
| C10 | C11 | H21 | 108.2° | 109.5° |
| C10 | C11 | H22 | 108.2° | 109.4° |
| C28 | C27 | C32 | 118.2° | 119.6° |
| C28 | C27 | C15 | 123.0° | 121.4° |
| C27 | C28 | H42 | 119.5° | 120.2° |
| C27 | C32 | N3 | 118.8° | 119.8° |
| C32 | C27 | C15 | 118.8° | 119.0° |
| C32 | N3 | C12 | 122.2° | 119.3° |
| C32 | N3 | C13 | 121.0° | 121.3° |
| C11 | C12 | N3 | 110.4° | 109.5° |
| C12 | C11 | H21 | 108.2° | 109.5° |
| C12 | C11 | H22 | 108.2° | 109.5° |
| C11 | C12 | H23 | 109.3° | 109.4° |
| C11 | C12 | H24 | 109.2° | 109.5° |
| C12 | N3 | C13 | 116.7° | 119.4° |
| N3 | C12 | H23 | 109.2° | 109.5° |
| N3 | C12 | H24 | 109.2° | 109.5° |
| O6 | S | O5 | 112.5° | 121.1° |
| O6 | S | O4 | 112.9° | 104.3° |
| O6 | S | C20 | 106.0° | 110.5° |
| C27 | C15 | C16 | 119.5° | 121.0° |
| C27 | C15 | C14 | 118.8° | 118.1° |
| O5 | S | O4 | 112.5° | 104.3° |
| O5 | S | C20 | 105.9° | 110.5° |
| N3 | C13 | C14 | 121.6° | 121.8° |
| N3 | C13 | H38 | 119.2° | 119.1° |
| O4 | S | C20 | 106.3° | 104.5° |
| S | O4 | H5 | 109.5° | 114.0° |
| S | C20 | C19 | 111.5° | 109.5° |
| S | C20 | H25 | 108.9° | 109.5° |
| S | C20 | H26 | 109.0° | 109.5° |
| C16 | C15 | C14 | 121.6° | 120.9° |
| C15 | C16 | C17 | 129.5° | 109.5° |
| C15 | C16 | H35 | 104.2° | 109.5° |
| C15 | C16 | H36 | 104.3° | 109.5° |
| C15 | C14 | C13 | 120.9° | 119.9° |
| C15 | C14 | H37 | 119.6° | 120.0° |
| C13 | C14 | H37 | 119.6° | 120.1° |
| C14 | C13 | H38 | 119.2° | 119.1° |
| C16 | C17 | N4 | 127.6° | 124.2° |
| C16 | C17 | S1 | 120.6° | 124.3° |
| C17 | C16 | H35 | 104.2° | 109.5° |
| C17 | C16 | H36 | 104.2° | 109.4° |
| C20 | C19 | C18 | 118.8° | 109.5° |
| C19 | C20 | H25 | 108.9° | 109.5° |
| C19 | C20 | H26 | 108.9° | 109.5° |
| C20 | C19 | H27 | 107.1° | 109.5° |
| C20 | C19 | H28 | 107.1° | 109.5° |
| C19 | C18 | N4 | 114.5° | 109.5° |
| C18 | C19 | H27 | 107.1° | 109.4° |
| C18 | C19 | H28 | 107.1° | 109.4° |
| C19 | C18 | H29 | 108.2° | 109.5° |
| C19 | C18 | H30 | 108.2° | 109.4° |
| N4 | C17 | S1 | 111.8° | 111.5° |
| C17 | N4 | C18 | 126.5° | 121.1° |
| C17 | N4 | C21 | 114.0° | 117.9° |
| C17 | S1 | C26 | 91.0° | 90.8° |
| C18 | N4 | C21 | 119.5° | 121.1° |
| N4 | C18 | H29 | 108.2° | 109.5° |
| N4 | C18 | H30 | 108.2° | 109.5° |
| N4 | C21 | C26 | 111.9° | 111.8° |
| N4 | C21 | C22 | 128.1° | 129.7° |
| S1 | C26 | C21 | 111.3° | 108.0° |
| S1 | C26 | C25 | 128.3° | 131.7° |
| C26 | C21 | C22 | 120.0° | 118.5° |
| C21 | C26 | C25 | 120.4° | 120.3° |
| C21 | C22 | C23 | 119.3° | 120.4° |
| C21 | C22 | H34 | 120.4° | 119.9° |
| C26 | C25 | C24 | 119.1° | 120.0° |
| C26 | C25 | H31 | 120.5° | 120.0° |
| C22 | C23 | C24 | 120.6° | 120.8° |
| C22 | C23 | H33 | 119.7° | 119.6° |
| C23 | C22 | H34 | 120.3° | 119.7° |
| C25 | C24 | C23 | 120.6° | 120.0° |
| C24 | C25 | H31 | 120.4° | 120.0° |
| C25 | C24 | H32 | 119.7° | 120.0° |
| C23 | C24 | H32 | 119.7° | 120.0° |
| C24 | C23 | H33 | 119.7° | 119.6° |
| H1 | C | H2 | 109.5° | 109.5° |
| H3 | N | H4 | 109.5° | 111.0° |
| H6 | C2 | H7 | 109.5° | 109.5° |
| H9 | C3 | H10 | 109.4° | 109.4° |
| H11 | C4 | H12 | 109.5° | 109.5° |
| H13 | C5 | H14 | 109.5° | 109.5° |
| H15 | C7 | H16 | 109.5° | 109.5° |
| H17 | C8 | H18 | 109.5° | 109.5° |
| H19 | C10 | H20 | 109.5° | 109.5° |
| H21 | C11 | H22 | 109.5° | 109.5° |
| H23 | C12 | H24 | 109.5° | 109.5° |
| H25 | C20 | H26 | 109.5° | 109.4° |
| H27 | C19 | H28 | 109.4° | 109.4° |
| H29 | C18 | H30 | 109.5° | 109.5° |
| H35 | C16 | H36 | 109.5° | 109.4° |
| H44 | C1 | H45 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C | C1 | H1 | 120.8° | 119.9° |
| N | C | C1 | H2 | 120.8° | 120.1° |
| N | C | C1 | O | 136.9° | 64.9° |
| N | C | H1 | H2 | 117.5° | 120.0° |
| C | N | H3 | H4 | 120.0° | 123.9° |
| N | C | C1 | H44 | 102.9° | 175.0° |
| N | C | C1 | H45 | 16.8° | 55.0° |
| C | C1 | O | H44 | 120.2° | 120.0° |
| C | C1 | O | H45 | 120.2° | 119.9° |
| C | C1 | O | C2 | 59.3° | 180.0° |
| C1 | C | H1 | H2 | 117.5° | 120.0° |
| C1 | C | N | H3 | 180.0° | 56.1° |
| C1 | C | N | H4 | 60.0° | 180.0° |
| C | C1 | H44 | H45 | 119.5° | 119.9° |
| C1 | O | C2 | C3 | 122.8° | 180.0° |
| O | C1 | C | H1 | 16.1° | 55.0° |
| O | C1 | C | H2 | 102.3° | 175.0° |
| C1 | O | C2 | H6 | 2.8° | 60.0° |
| C1 | O | C2 | H7 | 117.2° | 60.0° |
| O | C1 | H44 | H45 | 119.5° | 120.1° |
| O | C2 | C3 | H6 | 120.0° | 120.0° |
| O | C2 | C3 | H7 | 120.0° | 120.0° |
| O | C2 | C3 | O1 | 157.6° | 65.0° |
| O | C2 | H6 | H7 | 119.9° | 120.0° |
| O | C2 | C3 | H9 | 82.1° | 174.9° |
| O | C2 | C3 | H10 | 37.4° | 55.0° |
| C2 | O | C1 | H44 | 60.8° | 60.0° |
| C2 | O | C1 | H45 | 179.5° | 60.1° |
| C2 | C3 | O1 | H9 | 120.3° | 120.0° |
| C2 | C3 | O1 | H10 | 120.3° | 120.0° |
| C2 | C3 | O1 | C4 | 108.1° | 180.0° |
| C3 | C2 | H6 | H7 | 120.0° | 120.0° |
| C2 | C3 | H9 | H10 | 119.2° | 119.9° |
| C3 | O1 | C4 | C5 | 74.1° | 180.0° |
| O1 | C3 | C2 | H6 | 37.6° | 55.0° |
| O1 | C3 | C2 | H7 | 82.3° | 175.0° |
| O1 | C3 | H9 | H10 | 119.2° | 120.0° |
| C3 | O1 | C4 | H11 | 45.9° | 60.0° |
| C3 | O1 | C4 | H12 | 165.8° | 60.0° |
| O1 | C4 | C5 | H11 | 120.0° | 120.0° |
| O1 | C4 | C5 | H12 | 120.1° | 119.9° |
| O1 | C4 | C5 | N1 | 143.4° | 65.0° |
| C4 | O1 | C3 | H9 | 12.2° | 60.0° |
| C4 | O1 | C3 | H10 | 131.6° | 60.0° |
| O1 | C4 | H11 | H12 | 119.9° | 120.0° |
| O1 | C4 | C5 | H13 | 23.1° | 175.0° |
| O1 | C4 | C5 | H14 | 96.4° | 55.0° |
| C4 | C5 | N1 | H13 | 120.2° | 120.0° |
| C4 | C5 | N1 | H14 | 120.2° | 120.1° |
| C4 | C5 | N1 | C6 | 102.8° | 180.0° |
| C5 | C4 | H11 | H12 | 119.9° | 120.0° |
| C4 | C5 | H13 | H14 | 119.3° | 120.0° |
| C4 | C5 | N1 | H43 | 77.2° | 0.0° |
| C5 | N1 | C6 | O2 | 36.0° | 0.1° |
| C5 | N1 | C6 | H43 | 180.0° | 180.0° |
| C5 | N1 | C6 | C7 | 147.4° | 180.0° |
| N1 | C5 | C4 | H11 | 96.6° | 175.0° |
| N1 | C5 | C4 | H12 | 23.4° | 54.9° |
| N1 | C5 | H13 | H14 | 119.2° | 120.0° |
| O2 | C6 | N1 | C7 | 176.6° | 179.9° |
| O2 | C6 | C7 | C8 | 11.9° | 0.1° |
| O2 | C6 | C7 | H15 | 108.7° | 120.0° |
| O2 | C6 | C7 | H16 | 132.6° | 119.9° |
| O2 | C6 | N1 | H43 | 144.0° | 180.0° |
| N1 | C6 | C7 | C8 | 171.5° | 180.0° |
| C6 | N1 | C5 | H13 | 137.0° | 60.0° |
| C6 | N1 | C5 | H14 | 17.5° | 59.9° |
| N1 | C6 | C7 | H15 | 67.9° | 60.1° |
| N1 | C6 | C7 | H16 | 50.8° | 60.0° |
| C6 | C7 | C8 | H15 | 120.7° | 120.0° |
| C6 | C7 | C8 | H16 | 120.7° | 120.1° |
| C6 | C7 | C8 | C9 | 134.2° | 180.0° |
| C6 | C7 | H15 | H16 | 117.9° | 120.1° |
| C6 | C7 | C8 | H17 | 105.2° | 60.1° |
| C6 | C7 | C8 | H18 | 13.6° | 60.0° |
| C7 | C6 | N1 | H43 | 32.6° | 0.1° |
| C7 | C8 | C9 | H17 | 120.6° | 120.0° |
| C7 | C8 | C9 | H18 | 120.5° | 120.0° |
| C7 | C8 | C9 | O3 | 143.7° | 0.0° |
| C7 | C8 | C9 | N2 | 38.1° | 180.0° |
| C8 | C7 | H15 | H16 | 117.9° | 120.0° |
| C7 | C8 | H17 | H18 | 118.3° | 120.1° |
| C8 | C9 | O3 | N2 | 178.1° | 180.0° |
| C8 | C9 | N2 | C10 | 178.3° | 180.0° |
| C8 | C9 | N2 | H8 | 1.7° | 0.0° |
| C9 | C8 | C7 | H15 | 13.5° | 60.0° |
| C9 | C8 | C7 | H16 | 105.2° | 60.0° |
| C9 | C8 | H17 | H18 | 118.3° | 120.0° |
| O3 | C9 | N2 | C10 | 3.5° | 0.1° |
| O3 | C9 | N2 | H8 | 176.5° | 180.0° |
| O3 | C9 | C8 | H17 | 95.8° | 120.0° |
| O3 | C9 | C8 | H18 | 23.1° | 120.0° |
| C9 | N2 | C10 | H8 | 180.0° | 179.9° |
| C9 | N2 | C10 | C11 | 91.6° | 180.0° |
| N2 | C9 | C8 | H17 | 82.5° | 60.0° |
| N2 | C9 | C8 | H18 | 158.6° | 60.0° |
| C9 | N2 | C10 | H19 | 28.9° | 59.9° |
| C9 | N2 | C10 | H20 | 148.0° | 60.0° |
| C29 | C30 | C31 | H40 | 180.0° | 179.9° |
| C30 | C29 | C28 | H41 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.0° | 0.1° |
| C30 | C29 | C28 | C27 | 0.5° | 0.0° |
| C29 | C30 | C31 | H39 | 180.0° | 179.9° |
| C30 | C29 | C28 | H42 | 179.5° | 179.9° |
| C31 | C30 | C29 | C28 | 0.2° | 0.1° |
| C30 | C31 | C32 | H39 | 180.0° | 180.0° |
| C30 | C31 | C32 | C27 | 0.0° | 0.1° |
| C30 | C31 | C32 | N3 | 179.3° | 180.0° |
| C31 | C30 | C29 | H41 | 179.8° | 180.0° |
| N2 | C10 | C11 | H19 | 120.4° | 120.0° |
| N2 | C10 | C11 | H20 | 120.5° | 120.0° |
| N2 | C10 | C11 | C12 | 41.5° | 180.0° |
| N2 | C10 | H19 | H20 | 118.7° | 119.9° |
| N2 | C10 | C11 | H21 | 79.3° | 59.9° |
| N2 | C10 | C11 | H22 | 162.2° | 60.0° |
| C29 | C28 | C27 | H42 | 180.0° | 179.9° |
| C29 | C28 | C27 | C32 | 0.5° | 0.0° |
| C29 | C28 | C27 | C15 | 179.4° | 179.5° |
| C28 | C29 | C30 | H40 | 179.8° | 180.0° |
| C31 | C32 | C27 | C28 | 0.3° | 0.0° |
| C31 | C32 | C27 | N3 | 179.4° | 179.9° |
| C31 | C32 | N3 | C12 | 0.7° | 0.2° |
| C31 | C32 | C27 | C15 | 179.2° | 179.5° |
| C31 | C32 | N3 | C13 | 179.5° | 180.0° |
| C32 | C31 | C30 | H40 | 180.0° | 180.0° |
| C10 | C11 | C12 | H21 | 120.8° | 120.0° |
| C10 | C11 | C12 | H22 | 120.7° | 120.0° |
| C10 | C11 | C12 | N3 | 160.7° | 180.0° |
| C11 | C10 | N2 | H8 | 88.5° | 0.0° |
| C11 | C10 | H19 | H20 | 118.6° | 120.0° |
| C10 | C11 | H21 | H22 | 117.7° | 119.9° |
| C10 | C11 | C12 | H23 | 79.1° | 60.0° |
| C10 | C11 | C12 | H24 | 40.6° | 59.9° |
| C28 | C27 | C32 | C15 | 178.9° | 179.5° |
| C28 | C27 | C32 | N3 | 179.1° | 179.9° |
| C28 | C27 | C15 | C16 | 2.1° | 0.4° |
| C28 | C27 | C15 | C14 | 179.5° | 179.7° |
| C27 | C28 | C29 | H41 | 179.5° | 180.0° |
| C27 | C32 | N3 | C12 | 180.0° | 179.7° |
| C27 | C32 | N3 | C13 | 1.1° | 0.1° |
| C32 | C27 | C15 | C16 | 179.0° | 179.2° |
| C32 | C27 | C15 | C14 | 1.6° | 0.8° |
| C27 | C32 | C31 | H39 | 180.0° | 179.9° |
| C32 | C27 | C28 | H42 | 179.5° | 180.0° |
| C32 | N3 | C12 | C11 | 86.2° | 84.8° |
| C32 | N3 | C12 | C13 | 178.9° | 179.8° |
| N3 | C32 | C27 | C15 | 0.2° | 0.6° |
| C32 | N3 | C13 | C14 | 1.0° | 0.2° |
| C32 | N3 | C12 | H23 | 153.6° | 155.3° |
| C32 | N3 | C12 | H24 | 33.9° | 35.2° |
| C32 | N3 | C13 | H38 | 179.0° | 179.8° |
| N3 | C32 | C31 | H39 | 0.7° | 0.0° |
| C11 | C12 | N3 | H23 | 120.2° | 119.9° |
| C11 | C12 | N3 | H24 | 120.1° | 120.0° |
| C11 | C12 | N3 | C13 | 92.7° | 95.0° |
| C12 | C11 | C10 | H19 | 161.9° | 60.0° |
| C12 | C11 | C10 | H20 | 79.0° | 60.0° |
| C12 | C11 | H21 | H22 | 117.7° | 120.0° |
| C11 | C12 | H23 | H24 | 119.6° | 120.0° |
| C12 | N3 | C13 | C14 | 179.9° | 180.0° |
| N3 | C12 | C11 | H21 | 40.0° | 60.0° |
| N3 | C12 | C11 | H22 | 78.5° | 60.1° |
| N3 | C12 | H23 | H24 | 119.6° | 120.1° |
| C12 | N3 | C13 | H38 | 0.1° | 0.0° |
| O6 | S | O5 | O4 | 128.9° | 116.7° |
| O6 | S | O5 | C20 | 115.3° | 131.5° |
| O6 | S | O4 | C20 | 115.8° | 116.0° |
| O6 | S | C20 | C19 | 65.7° | 68.4° |
| O6 | S | C20 | H25 | 174.0° | 171.6° |
| O6 | S | C20 | H26 | 54.6° | 51.6° |
| O6 | S | O4 | H5 | 128.7° | 64.0° |
| C27 | C15 | C16 | C14 | 177.3° | 180.0° |
| C27 | C15 | C14 | C13 | 1.8° | 0.5° |
| C27 | C15 | C16 | C17 | 169.6° | 84.3° |
| C27 | C15 | C16 | H35 | 47.0° | 35.7° |
| C27 | C15 | C16 | H36 | 67.8° | 155.7° |
| C27 | C15 | C14 | H37 | 178.1° | 180.0° |
| C15 | C27 | C28 | H42 | 0.6° | 0.4° |
| O5 | S | O4 | C20 | 115.5° | 116.1° |
| O5 | S | C20 | C19 | 54.0° | 68.4° |
| O5 | S | C20 | H25 | 66.3° | 51.7° |
| O5 | S | C20 | H26 | 174.3° | 171.6° |
| O5 | S | O4 | H5 | 0.0° | 63.9° |
| N3 | C13 | C14 | C15 | 0.5° | 0.0° |
| N3 | C13 | C14 | H38 | 180.0° | 180.0° |
| C13 | N3 | C12 | H23 | 27.5° | 25.0° |
| C13 | N3 | C12 | H24 | 147.2° | 145.0° |
| N3 | C13 | C14 | H37 | 179.4° | 179.5° |
| O4 | S | C20 | C19 | 173.9° | 180.0° |
| O4 | S | C20 | H25 | 53.6° | 60.0° |
| O4 | S | C20 | H26 | 65.8° | 60.0° |
| S | C20 | C19 | H25 | 120.3° | 120.0° |
| S | C20 | C19 | H26 | 120.3° | 120.0° |
| S | C20 | C19 | C18 | 117.9° | 180.0° |
| S | C20 | H25 | H26 | 119.1° | 120.0° |
| S | C20 | C19 | H27 | 120.7° | 60.0° |
| S | C20 | C19 | H28 | 3.4° | 60.0° |
| C20 | S | O4 | H5 | 115.5° | 180.0° |
| C16 | C15 | C14 | C13 | 179.2° | 179.4° |
| C15 | C16 | C17 | H35 | 122.6° | 120.0° |
| C15 | C16 | C17 | H36 | 122.6° | 120.1° |
| C15 | C16 | C17 | N4 | 169.3° | 97.8° |
| C15 | C16 | C17 | S1 | 11.5° | 81.8° |
| C15 | C16 | H35 | H36 | 111.1° | 120.1° |
| C16 | C15 | C14 | H37 | 0.8° | 0.0° |
| C15 | C14 | C13 | H37 | 180.0° | 179.5° |
| C14 | C15 | C16 | C17 | 13.1° | 95.7° |
| C14 | C15 | C16 | H35 | 135.7° | 144.3° |
| C14 | C15 | C16 | H36 | 109.5° | 24.3° |
| C15 | C14 | C13 | H38 | 179.4° | 180.0° |
| C16 | C17 | N4 | S1 | 179.3° | 179.6° |
| C16 | C17 | N4 | C18 | 0.7° | 0.3° |
| C16 | C17 | N4 | C21 | 179.1° | 180.0° |
| C16 | C17 | S1 | C26 | 179.7° | 179.9° |
| C17 | C16 | H35 | H36 | 111.0° | 120.0° |
| C20 | C19 | C18 | H27 | 121.3° | 120.1° |
| C20 | C19 | C18 | H28 | 121.4° | 120.0° |
| C20 | C19 | C18 | N4 | 175.7° | 178.2° |
| C19 | C20 | H25 | H26 | 119.1° | 120.0° |
| C20 | C19 | H27 | H28 | 115.8° | 120.0° |
| C20 | C19 | C18 | H29 | 63.5° | 58.1° |
| C20 | C19 | C18 | H30 | 55.0° | 61.9° |
| C19 | C18 | N4 | C17 | 30.3° | 96.1° |
| C19 | C18 | N4 | H29 | 120.7° | 120.0° |
| C19 | C18 | N4 | H30 | 120.8° | 119.9° |
| C19 | C18 | N4 | C21 | 149.9° | 84.1° |
| C18 | C19 | C20 | H25 | 2.3° | 60.0° |
| C18 | C19 | C20 | H26 | 121.7° | 60.0° |
| C18 | C19 | H27 | H28 | 115.7° | 119.9° |
| C19 | C18 | H29 | H30 | 117.7° | 119.9° |
| C17 | N4 | C18 | C21 | 179.8° | 179.7° |
| N4 | C17 | S1 | C26 | 0.3° | 0.4° |
| C17 | N4 | C21 | C26 | 0.7° | 0.3° |
| C17 | N4 | C21 | C22 | 179.0° | 179.7° |
| C17 | N4 | C18 | H29 | 90.5° | 23.9° |
| C17 | N4 | C18 | H30 | 151.0° | 143.9° |
| N4 | C17 | C16 | H35 | 68.1° | 142.3° |
| N4 | C17 | C16 | H36 | 46.7° | 22.3° |
| S1 | C17 | N4 | C18 | 180.0° | 179.8° |
| S1 | C17 | N4 | C21 | 0.2° | 0.4° |
| C17 | S1 | C26 | C21 | 0.8° | 0.2° |
| C17 | S1 | C26 | C25 | 179.9° | 179.8° |
| S1 | C17 | C16 | H35 | 111.1° | 38.2° |
| S1 | C17 | C16 | H36 | 134.1° | 158.2° |
| C18 | N4 | C21 | C26 | 179.4° | 180.0° |
| C18 | N4 | C21 | C22 | 0.9° | 0.0° |
| N4 | C18 | C19 | H27 | 54.4° | 58.1° |
| N4 | C18 | C19 | H28 | 62.9° | 61.8° |
| N4 | C18 | H29 | H30 | 117.7° | 120.0° |
| N4 | C21 | C26 | S1 | 1.0° | 0.0° |
| N4 | C21 | C26 | C22 | 179.7° | 180.0° |
| N4 | C21 | C26 | C25 | 179.6° | 180.0° |
| N4 | C21 | C22 | C23 | 179.0° | 179.9° |
| C21 | N4 | C18 | H29 | 89.3° | 155.8° |
| C21 | N4 | C18 | H30 | 29.2° | 35.8° |
| N4 | C21 | C22 | H34 | 1.0° | 0.1° |
| S1 | C26 | C21 | C25 | 179.4° | 180.0° |
| S1 | C26 | C21 | C22 | 178.7° | 180.0° |
| S1 | C26 | C25 | C24 | 179.2° | 180.0° |
| S1 | C26 | C25 | H31 | 0.8° | 0.0° |
| C26 | C21 | C22 | C23 | 1.4° | 0.0° |
| C21 | C26 | C25 | C24 | 0.1° | 0.0° |
| C21 | C26 | C25 | H31 | 179.9° | 180.0° |
| C26 | C21 | C22 | H34 | 178.6° | 180.0° |
| C22 | C21 | C26 | C25 | 0.7° | 0.0° |
| C21 | C22 | C23 | H34 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 1.4° | 0.1° |
| C21 | C22 | C23 | H33 | 178.6° | 180.0° |
| C26 | C25 | C24 | H31 | 180.0° | 180.0° |
| C26 | C25 | C24 | C23 | 0.2° | 0.0° |
| C26 | C25 | C24 | H32 | 179.8° | 180.0° |
| C22 | C23 | C24 | C25 | 0.9° | 0.1° |
| C22 | C23 | C24 | H33 | 180.0° | 180.0° |
| C22 | C23 | C24 | H32 | 179.2° | 179.9° |
| C25 | C24 | C23 | H32 | 180.0° | 180.0° |
| C25 | C24 | C23 | H33 | 179.1° | 180.0° |
| C23 | C24 | C25 | H31 | 179.8° | 180.0° |
| C24 | C23 | C22 | H34 | 178.6° | 179.9° |
| H1 | C | N | H3 | 59.2° | 176.0° |
| H1 | C | N | H4 | 60.9° | 60.0° |
| H1 | C | C1 | H44 | 136.2° | 65.0° |
| H1 | C | C1 | H45 | 104.1° | 175.0° |
| H2 | C | N | H3 | 59.2° | 64.0° |
| H2 | C | N | H4 | 179.2° | 59.9° |
| H2 | C | C1 | H44 | 17.8° | 54.9° |
| H2 | C | C1 | H45 | 137.5° | 65.0° |
| H6 | C2 | C3 | H9 | 157.9° | 65.0° |
| H6 | C2 | C3 | H10 | 82.6° | 175.0° |
| H7 | C2 | C3 | H9 | 37.9° | 55.0° |
| H7 | C2 | C3 | H10 | 157.4° | 65.0° |
| H8 | N2 | C10 | H19 | 151.1° | 120.0° |
| H8 | N2 | C10 | H20 | 32.0° | 120.0° |
| H11 | C4 | C5 | H13 | 143.2° | 55.0° |
| H11 | C4 | C5 | H14 | 23.6° | 65.0° |
| H12 | C4 | C5 | H13 | 96.9° | 65.0° |
| H12 | C4 | C5 | H14 | 143.6° | 175.0° |
| H13 | C5 | N1 | H43 | 43.0° | 120.0° |
| H14 | C5 | N1 | H43 | 162.5° | 120.0° |
| H15 | C7 | C8 | H17 | 134.1° | 180.0° |
| H15 | C7 | C8 | H18 | 107.0° | 59.9° |
| H16 | C7 | C8 | H17 | 15.4° | 60.0° |
| H16 | C7 | C8 | H18 | 134.3° | 179.9° |
| H19 | C10 | C11 | H21 | 41.2° | 180.0° |
| H19 | C10 | C11 | H22 | 77.3° | 60.0° |
| H20 | C10 | C11 | H21 | 160.3° | 60.0° |
| H20 | C10 | C11 | H22 | 41.8° | 180.0° |
| H21 | C11 | C12 | H23 | 160.1° | 60.0° |
| H21 | C11 | C12 | H24 | 80.2° | 180.0° |
| H22 | C11 | C12 | H23 | 41.6° | 180.0° |
| H22 | C11 | C12 | H24 | 161.3° | 60.0° |
| H25 | C20 | C19 | H27 | 119.0° | 180.0° |
| H25 | C20 | C19 | H28 | 123.7° | 60.0° |
| H26 | C20 | C19 | H27 | 0.4° | 60.0° |
| H26 | C20 | C19 | H28 | 116.9° | 180.0° |
| H27 | C19 | C18 | H29 | 175.2° | 62.0° |
| H27 | C19 | C18 | H30 | 66.3° | 178.1° |
| H28 | C19 | C18 | H29 | 57.9° | 178.1° |
| H28 | C19 | C18 | H30 | 176.4° | 58.2° |
| H31 | C25 | C24 | H32 | 0.2° | 0.0° |
| H32 | C24 | C23 | H33 | 0.8° | 0.0° |
| H33 | C23 | C22 | H34 | 1.4° | 0.0° |
| H37 | C14 | C13 | H38 | 0.6° | 0.5° |
| H39 | C31 | C30 | H40 | 0.0° | 0.0° |
| H40 | C30 | C29 | H41 | 0.2° | 0.1° |
| H41 | C29 | C28 | H42 | 0.5° | 0.0° |
