L1G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.46Å | 1.46Å | Aromatic |
| C1 | C3 | sing | 1.48Å | 1.48Å | Aromatic |
| C1 | N1 | doub | 1.31Å | 1.30Å | Aromatic |
| C2 | C4 | doub | 1.41Å | 1.51Å | Aromatic |
| C2 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | C6 | doub | 1.39Å | 1.43Å | Aromatic |
| C3 | C7 | sing | 1.40Å | 1.41Å | Aromatic |
| N1 | N2 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | N2 | sing | 1.36Å | 1.36Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.35Å | Aromatic |
| C5 | N4 | doub | 1.33Å | 1.36Å | Aromatic |
| C5 | N5 | sing | 1.38Å | 1.38Å | |
| C6 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N2 | C10 | sing | 1.46Å | 1.47Å | |
| N3 | C11 | doub | 1.32Å | 1.33Å | Aromatic |
| N4 | C11 | sing | 1.32Å | 1.35Å | Aromatic |
| N5 | H5N1 | sing | 0.97Å | 1.00Å | |
| N5 | H5N2 | sing | 0.97Å | 1.00Å | |
| C8 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | O1 | sing | 1.36Å | 1.38Å | |
| C9 | C12 | sing | 1.39Å | 1.45Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C13 | sing | 1.53Å | 1.56Å | |
| C10 | C14 | sing | 1.53Å | 1.54Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | N6 | sing | 1.40Å | 1.41Å | |
| O1 | C15 | sing | 1.43Å | 1.44Å | |
| C13 | C16 | sing | 1.53Å | 1.54Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | C17 | sing | 1.53Å | 1.53Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| N6 | C18 | sing | 1.35Å | 1.36Å | |
| N6 | HA | sing | 0.97Å | 1.00Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C16 | C19 | sing | 1.53Å | 1.57Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | C19 | sing | 1.53Å | 1.58Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | C20 | sing | 1.47Å | 1.47Å | |
| C18 | O2 | doub | 1.22Å | 1.22Å | |
| C19 | N7 | sing | 1.47Å | 1.52Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | N8 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | doub | 1.36Å | 1.36Å | Aromatic |
| N7 | C22 | sing | 1.47Å | 1.49Å | |
| N7 | C23 | sing | 1.47Å | 1.50Å | |
| N8 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| N8 | C25 | sing | 1.47Å | 1.48Å | |
| C21 | C26 | sing | 1.42Å | 1.42Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C27 | sing | 1.53Å | 1.54Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | C28 | sing | 1.53Å | 1.55Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | C26 | doub | 1.41Å | 1.43Å | Aromatic |
| C24 | C29 | sing | 1.39Å | 1.43Å | Aromatic |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C26 | C30 | sing | 1.40Å | 1.43Å | Aromatic |
| C27 | N9 | sing | 1.47Å | 1.48Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | N9 | sing | 1.47Å | 1.49Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | C32 | doub | 1.37Å | 1.40Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| N9 | C33 | sing | 1.47Å | 1.48Å | |
| C31 | C32 | sing | 1.39Å | 1.41Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 129.1° | 126.3° |
| C2 | C1 | N1 | 107.2° | 107.4° |
| C1 | C2 | C4 | 104.8° | 106.4° |
| C1 | C2 | C5 | 138.3° | 135.0° |
| C3 | C1 | N1 | 123.7° | 126.3° |
| C1 | C3 | C6 | 119.1° | 120.1° |
| C1 | C3 | C7 | 120.6° | 120.0° |
| C1 | N1 | N2 | 112.9° | 109.9° |
| C4 | C2 | C5 | 116.9° | 118.6° |
| C2 | C4 | N2 | 105.1° | 106.9° |
| C2 | C4 | N3 | 119.0° | 118.6° |
| C2 | C5 | N4 | 118.1° | 118.3° |
| C2 | C5 | N5 | 121.8° | 120.9° |
| C6 | C3 | C7 | 120.3° | 119.9° |
| C3 | C6 | C8 | 120.8° | 119.9° |
| C3 | C6 | H6 | 119.6° | 120.0° |
| C3 | C7 | C9 | 119.4° | 120.0° |
| C3 | C7 | H7 | 120.3° | 120.0° |
| N1 | N2 | C4 | 109.9° | 109.4° |
| N1 | N2 | C10 | 123.0° | 125.3° |
| N2 | C4 | N3 | 135.9° | 134.5° |
| C4 | N2 | C10 | 127.1° | 125.3° |
| C4 | N3 | C11 | 120.5° | 120.7° |
| N4 | C5 | N5 | 120.1° | 120.8° |
| C5 | N4 | C11 | 123.0° | 121.1° |
| C5 | N5 | H5N1 | 109.5° | 120.0° |
| C5 | N5 | H5N2 | 109.5° | 120.0° |
| C8 | C6 | H6 | 119.6° | 120.1° |
| C6 | C8 | C12 | 118.8° | 120.0° |
| C6 | C8 | O1 | 123.5° | 120.0° |
| C9 | C7 | H7 | 120.3° | 120.0° |
| C7 | C9 | C12 | 120.6° | 120.1° |
| C7 | C9 | H9 | 119.7° | 119.9° |
| N2 | C10 | C13 | 109.7° | 109.5° |
| N2 | C10 | C14 | 108.1° | 109.5° |
| N2 | C10 | H10 | 110.7° | 109.4° |
| N3 | C11 | N4 | 122.6° | 122.7° |
| N3 | C11 | H11 | 118.7° | 118.7° |
| N4 | C11 | H11 | 118.7° | 118.7° |
| H5N1 | N5 | H5N2 | 109.4° | 120.0° |
| C12 | C8 | O1 | 117.7° | 120.0° |
| C8 | C12 | C9 | 120.1° | 120.0° |
| C8 | C12 | N6 | 118.8° | 120.0° |
| C8 | O1 | C15 | 112.9° | 106.8° |
| C12 | C9 | H9 | 119.7° | 119.9° |
| C9 | C12 | N6 | 121.2° | 120.0° |
| C13 | C10 | C14 | 110.8° | 109.5° |
| C13 | C10 | H10 | 108.0° | 109.5° |
| C10 | C13 | C16 | 109.8° | 109.5° |
| C10 | C13 | H131 | 109.3° | 109.5° |
| C10 | C13 | H132 | 109.3° | 109.5° |
| C14 | C10 | H10 | 109.6° | 109.5° |
| C10 | C14 | C17 | 110.8° | 109.5° |
| C10 | C14 | H141 | 108.7° | 109.5° |
| C10 | C14 | H142 | 109.0° | 109.5° |
| C12 | N6 | C18 | 124.6° | 120.0° |
| C12 | N6 | HA | 117.7° | 120.0° |
| O1 | C15 | H151 | 109.5° | 109.5° |
| O1 | C15 | H152 | 109.5° | 109.5° |
| O1 | C15 | H153 | 109.5° | 109.5° |
| C16 | C13 | H131 | 109.3° | 109.5° |
| C16 | C13 | H132 | 109.4° | 109.5° |
| C13 | C16 | C19 | 108.6° | 109.5° |
| C13 | C16 | H161 | 110.0° | 109.5° |
| C13 | C16 | H162 | 109.8° | 109.5° |
| H131 | C13 | H132 | 109.8° | 109.4° |
| C17 | C14 | H141 | 108.8° | 109.4° |
| C17 | C14 | H142 | 109.0° | 109.5° |
| C14 | C17 | C19 | 109.6° | 109.5° |
| C14 | C17 | H171 | 109.4° | 109.5° |
| C14 | C17 | H172 | 109.4° | 109.5° |
| H141 | C14 | H142 | 110.5° | 109.5° |
| C18 | N6 | HA | 117.7° | 120.0° |
| N6 | C18 | C20 | 119.3° | 120.0° |
| N6 | C18 | O2 | 121.3° | 120.0° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.4° | 109.5° |
| H152 | C15 | H153 | 109.5° | 109.4° |
| C19 | C16 | H161 | 110.0° | 109.5° |
| C19 | C16 | H162 | 109.8° | 109.4° |
| C16 | C19 | C17 | 109.8° | 109.4° |
| C16 | C19 | N7 | 112.8° | 109.5° |
| C16 | C19 | H19 | 106.5° | 109.5° |
| H161 | C16 | H162 | 108.7° | 109.4° |
| C19 | C17 | H171 | 109.4° | 109.5° |
| C19 | C17 | H172 | 109.4° | 109.5° |
| C17 | C19 | N7 | 107.9° | 109.5° |
| C17 | C19 | H19 | 111.5° | 109.5° |
| H171 | C17 | H172 | 109.6° | 109.5° |
| C20 | C18 | O2 | 119.4° | 120.0° |
| C18 | C20 | N8 | 126.3° | 125.4° |
| C18 | C20 | C21 | 124.1° | 125.4° |
| N7 | C19 | H19 | 108.4° | 109.5° |
| C19 | N7 | C22 | 111.7° | 106.7° |
| C19 | N7 | C23 | 109.4° | 106.7° |
| N8 | C20 | C21 | 109.5° | 109.1° |
| C20 | N8 | C24 | 108.5° | 108.8° |
| C20 | N8 | C25 | 126.0° | 125.6° |
| C20 | C21 | C26 | 108.1° | 107.7° |
| C20 | C21 | H21 | 126.0° | 126.1° |
| C22 | N7 | C23 | 110.1° | 106.9° |
| N7 | C22 | C27 | 109.4° | 109.6° |
| N7 | C22 | H221 | 109.5° | 109.5° |
| N7 | C22 | H222 | 109.5° | 109.4° |
| N7 | C23 | C28 | 109.4° | 109.7° |
| N7 | C23 | H231 | 109.5° | 109.4° |
| N7 | C23 | H232 | 109.5° | 109.4° |
| C24 | N8 | C25 | 125.6° | 125.5° |
| N8 | C24 | C26 | 107.3° | 107.3° |
| N8 | C24 | C29 | 133.4° | 133.2° |
| N8 | C25 | H251 | 109.5° | 109.5° |
| N8 | C25 | H252 | 109.4° | 109.4° |
| N8 | C25 | H253 | 109.5° | 109.5° |
| C26 | C21 | H21 | 125.9° | 126.2° |
| C21 | C26 | C24 | 106.6° | 107.0° |
| C21 | C26 | C30 | 133.5° | 133.4° |
| C27 | C22 | H221 | 109.5° | 109.5° |
| C27 | C22 | H222 | 109.5° | 109.4° |
| C22 | C27 | N9 | 109.6° | 109.6° |
| C22 | C27 | H271 | 109.4° | 109.4° |
| C22 | C27 | H272 | 109.4° | 109.5° |
| H221 | C22 | H222 | 109.4° | 109.4° |
| C28 | C23 | H231 | 109.5° | 109.5° |
| C28 | C23 | H232 | 109.5° | 109.5° |
| C23 | C28 | N9 | 110.6° | 109.7° |
| C23 | C28 | H281 | 108.9° | 109.4° |
| C23 | C28 | H282 | 109.1° | 109.5° |
| H231 | C23 | H232 | 109.4° | 109.4° |
| C26 | C24 | C29 | 119.3° | 119.5° |
| C24 | C26 | C30 | 119.8° | 119.6° |
| C24 | C29 | C31 | 120.0° | 119.8° |
| C24 | C29 | H29 | 120.0° | 120.1° |
| H251 | C25 | H252 | 109.5° | 109.4° |
| H251 | C25 | H253 | 109.5° | 109.5° |
| H252 | C25 | H253 | 109.4° | 109.5° |
| C26 | C30 | C32 | 119.7° | 119.8° |
| C26 | C30 | H30 | 120.2° | 120.1° |
| N9 | C27 | H271 | 109.4° | 109.4° |
| N9 | C27 | H272 | 109.4° | 109.4° |
| C27 | N9 | C28 | 109.6° | 106.9° |
| C27 | N9 | C33 | 109.7° | 106.7° |
| H271 | C27 | H272 | 109.6° | 109.4° |
| N9 | C28 | H281 | 108.8° | 109.4° |
| N9 | C28 | H282 | 109.1° | 109.4° |
| C28 | N9 | C33 | 109.6° | 106.7° |
| H281 | C28 | H282 | 110.4° | 109.4° |
| C31 | C29 | H29 | 120.0° | 120.1° |
| C29 | C31 | C32 | 120.5° | 120.6° |
| C29 | C31 | H31 | 119.8° | 119.7° |
| C32 | C30 | H30 | 120.2° | 120.1° |
| C30 | C32 | C31 | 120.8° | 120.6° |
| C30 | C32 | H32 | 119.6° | 119.7° |
| N9 | C33 | H331 | 109.4° | 109.4° |
| N9 | C33 | H332 | 109.5° | 109.5° |
| N9 | C33 | H333 | 109.5° | 109.4° |
| C32 | C31 | H31 | 119.8° | 119.7° |
| C31 | C32 | H32 | 119.6° | 119.7° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H331 | C33 | H333 | 109.5° | 109.4° |
| H332 | C33 | H333 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | N1 | 179.0° | 179.7° |
| C1 | C2 | C4 | C5 | 179.8° | 179.3° |
| C2 | C1 | C3 | C6 | 56.4° | 134.1° |
| C2 | C1 | C3 | C7 | 124.7° | 45.8° |
| C2 | C1 | N1 | N2 | 0.2° | 0.3° |
| C1 | C2 | C4 | N2 | 0.3° | 0.4° |
| C1 | C2 | C4 | N3 | 179.6° | 179.8° |
| C1 | C2 | C5 | N4 | 179.7° | 179.6° |
| C1 | C2 | C5 | N5 | 0.0° | 0.7° |
| C3 | C1 | C2 | C4 | 178.9° | 179.9° |
| C3 | C1 | C2 | C5 | 1.4° | 0.8° |
| C1 | C3 | C6 | C7 | 178.9° | 179.9° |
| C3 | C1 | N1 | N2 | 179.1° | 180.0° |
| C1 | C3 | C6 | C8 | 178.9° | 180.0° |
| C1 | C3 | C6 | H6 | 1.0° | 0.1° |
| C1 | C3 | C7 | C9 | 178.9° | 180.0° |
| C1 | C3 | C7 | H7 | 1.1° | 0.1° |
| N1 | C1 | C2 | C4 | 0.3° | 0.4° |
| N1 | C1 | C2 | C5 | 179.5° | 179.5° |
| N1 | C1 | C3 | C6 | 122.6° | 46.2° |
| N1 | C1 | C3 | C7 | 56.3° | 133.9° |
| C1 | N1 | N2 | C4 | 0.1° | 0.0° |
| C1 | N1 | N2 | C10 | 179.9° | 180.0° |
| C2 | C4 | N2 | N1 | 0.2° | 0.2° |
| C2 | C4 | N2 | N3 | 179.9° | 179.8° |
| C4 | C2 | C5 | N4 | 0.5° | 0.5° |
| C4 | C2 | C5 | N5 | 179.7° | 179.8° |
| C2 | C4 | N2 | C10 | 179.7° | 179.7° |
| C2 | C4 | N3 | C11 | 0.3° | 0.3° |
| C5 | C2 | C4 | N2 | 179.5° | 179.7° |
| C5 | C2 | C4 | N3 | 0.6° | 0.5° |
| C2 | C5 | N4 | N5 | 179.7° | 179.8° |
| C2 | C5 | N4 | C11 | 0.2° | 0.3° |
| C2 | C5 | N5 | H5N1 | 172.5° | 169.4° |
| C2 | C5 | N5 | H5N2 | 52.5° | 10.5° |
| C3 | C6 | C8 | H6 | 180.0° | 180.0° |
| C6 | C3 | C7 | C9 | 0.0° | 0.1° |
| C6 | C3 | C7 | H7 | 180.0° | 180.0° |
| C3 | C6 | C8 | C12 | 0.2° | 0.2° |
| C3 | C6 | C8 | O1 | 179.6° | 179.9° |
| C7 | C3 | C6 | C8 | 0.0° | 0.1° |
| C7 | C3 | C6 | H6 | 179.9° | 180.0° |
| C3 | C7 | C9 | H7 | 180.0° | 179.9° |
| C3 | C7 | C9 | C12 | 0.1° | 0.2° |
| C3 | C7 | C9 | H9 | 179.9° | 180.0° |
| N1 | N2 | C4 | C10 | 180.0° | 180.0° |
| N1 | N2 | C4 | N3 | 179.6° | 180.0° |
| N1 | N2 | C10 | C13 | 68.8° | 60.1° |
| N1 | N2 | C10 | C14 | 52.1° | 60.0° |
| N1 | N2 | C10 | H10 | 172.1° | 180.0° |
| N2 | C4 | N3 | C11 | 179.8° | 179.9° |
| C4 | N2 | C10 | C13 | 111.2° | 120.0° |
| C4 | N2 | C10 | C14 | 127.9° | 120.0° |
| C4 | N2 | C10 | H10 | 7.9° | 0.0° |
| N3 | C4 | N2 | C10 | 0.4° | 0.0° |
| C4 | N3 | C11 | N4 | 0.1° | 0.1° |
| C4 | N3 | C11 | H11 | 179.9° | 180.0° |
| C5 | N4 | C11 | N3 | 0.1° | 0.0° |
| N4 | C5 | N5 | H5N1 | 7.8° | 10.4° |
| N4 | C5 | N5 | H5N2 | 127.8° | 169.7° |
| C5 | N4 | C11 | H11 | 179.9° | 180.0° |
| N5 | C5 | N4 | C11 | 179.9° | 180.0° |
| C5 | N5 | H5N1 | H5N2 | 120.0° | 179.9° |
| C6 | C8 | C12 | O1 | 179.8° | 179.7° |
| C6 | C8 | C12 | C9 | 0.2° | 0.5° |
| C6 | C8 | C12 | N6 | 179.5° | 180.0° |
| C6 | C8 | O1 | C15 | 0.3° | 0.0° |
| H6 | C6 | C8 | C12 | 179.8° | 179.8° |
| H6 | C6 | C8 | O1 | 0.4° | 0.1° |
| C7 | C9 | C12 | C8 | 0.2° | 0.4° |
| C7 | C9 | C12 | H9 | 180.0° | 179.8° |
| C7 | C9 | C12 | N6 | 179.6° | 180.0° |
| H7 | C7 | C9 | C12 | 179.9° | 179.8° |
| H7 | C7 | C9 | H9 | 0.1° | 0.1° |
| N2 | C10 | C13 | C14 | 119.2° | 120.0° |
| N2 | C10 | C13 | H10 | 120.8° | 120.0° |
| N2 | C10 | C14 | H10 | 120.7° | 120.0° |
| N2 | C10 | C13 | C16 | 178.7° | 180.0° |
| N2 | C10 | C13 | H131 | 58.9° | 60.0° |
| N2 | C10 | C13 | H132 | 61.3° | 60.0° |
| N2 | C10 | C14 | C17 | 178.2° | 180.0° |
| N2 | C10 | C14 | H141 | 62.4° | 60.0° |
| N2 | C10 | C14 | H142 | 58.2° | 60.0° |
| N3 | C11 | N4 | H11 | 180.0° | 179.9° |
| C8 | C12 | C9 | N6 | 179.8° | 179.5° |
| C8 | C12 | C9 | H9 | 179.8° | 179.7° |
| C12 | C8 | O1 | C15 | 179.5° | 179.7° |
| C8 | C12 | N6 | C18 | 133.2° | 160.7° |
| C8 | C12 | N6 | HA | 46.9° | 19.3° |
| O1 | C8 | C12 | C9 | 179.6° | 179.8° |
| O1 | C8 | C12 | N6 | 0.7° | 0.3° |
| C8 | O1 | C15 | H151 | 26.8° | 60.0° |
| C8 | O1 | C15 | H152 | 93.3° | 60.0° |
| C8 | O1 | C15 | H153 | 146.7° | 180.0° |
| C9 | C12 | N6 | C18 | 47.1° | 19.8° |
| C9 | C12 | N6 | HA | 132.9° | 160.2° |
| H9 | C9 | C12 | N6 | 0.5° | 0.2° |
| C13 | C10 | C14 | H10 | 119.1° | 120.0° |
| C10 | C13 | C16 | H131 | 119.9° | 120.0° |
| C10 | C13 | C16 | H132 | 120.0° | 120.0° |
| C10 | C13 | H131 | H132 | 119.9° | 120.0° |
| C13 | C10 | C14 | C17 | 58.0° | 60.0° |
| C13 | C10 | C14 | H141 | 177.5° | 60.0° |
| C13 | C10 | C14 | H142 | 62.0° | 180.0° |
| C10 | C13 | C16 | C19 | 60.1° | 60.0° |
| C10 | C13 | C16 | H161 | 179.5° | 60.0° |
| C10 | C13 | C16 | H162 | 59.9° | 180.0° |
| C14 | C10 | C13 | C16 | 59.5° | 60.0° |
| C14 | C10 | C13 | H131 | 60.3° | 180.0° |
| C14 | C10 | C13 | H132 | 179.5° | 60.0° |
| C10 | C14 | C17 | H141 | 119.5° | 120.0° |
| C10 | C14 | C17 | H142 | 120.0° | 120.0° |
| C10 | C14 | H141 | H142 | 119.6° | 120.1° |
| C10 | C14 | C17 | C19 | 57.3° | 60.0° |
| C10 | C14 | C17 | H171 | 62.7° | 60.0° |
| C10 | C14 | C17 | H172 | 177.3° | 180.0° |
| H10 | C10 | C13 | C16 | 60.5° | 60.1° |
| H10 | C10 | C13 | H131 | 179.7° | 59.9° |
| H10 | C10 | C13 | H132 | 59.5° | 179.9° |
| H10 | C10 | C14 | C17 | 61.1° | 60.0° |
| H10 | C10 | C14 | H141 | 58.4° | 180.0° |
| H10 | C10 | C14 | H142 | 178.9° | 60.0° |
| C12 | N6 | C18 | HA | 180.0° | 180.0° |
| C12 | N6 | C18 | C20 | 178.5° | 173.5° |
| C12 | N6 | C18 | O2 | 0.1° | 6.5° |
| O1 | C15 | H151 | H152 | 120.0° | 120.0° |
| O1 | C15 | H151 | H153 | 120.0° | 120.0° |
| O1 | C15 | H152 | H153 | 120.0° | 120.0° |
| C16 | C13 | H131 | H132 | 119.9° | 120.0° |
| C13 | C16 | C19 | H161 | 120.4° | 120.1° |
| C13 | C16 | C19 | H162 | 120.0° | 120.1° |
| C13 | C16 | H161 | H162 | 120.2° | 120.0° |
| C13 | C16 | C19 | C17 | 60.0° | 60.0° |
| C13 | C16 | C19 | N7 | 179.6° | 180.0° |
| C13 | C16 | C19 | H19 | 60.8° | 60.0° |
| H131 | C13 | C16 | C19 | 59.7° | 180.0° |
| H131 | C13 | C16 | H161 | 60.6° | 60.0° |
| H131 | C13 | C16 | H162 | 179.8° | 60.0° |
| H132 | C13 | C16 | C19 | 179.9° | 60.0° |
| H132 | C13 | C16 | H161 | 59.5° | 179.9° |
| H132 | C13 | C16 | H162 | 60.1° | 60.0° |
| C17 | C14 | H141 | H142 | 119.6° | 120.0° |
| C14 | C17 | C19 | C16 | 58.6° | 60.0° |
| C14 | C17 | C19 | H171 | 119.9° | 120.0° |
| C14 | C17 | C19 | H172 | 120.0° | 120.0° |
| C14 | C17 | H171 | H172 | 120.0° | 120.0° |
| C14 | C17 | C19 | N7 | 178.1° | 180.0° |
| C14 | C17 | C19 | H19 | 59.1° | 60.0° |
| H141 | C14 | C17 | C19 | 176.7° | 60.0° |
| H141 | C14 | C17 | H171 | 56.8° | 179.9° |
| H141 | C14 | C17 | H172 | 63.3° | 60.0° |
| H142 | C14 | C17 | C19 | 62.7° | 180.0° |
| H142 | C14 | C17 | H171 | 177.3° | 60.1° |
| H142 | C14 | C17 | H172 | 57.3° | 60.0° |
| N6 | C18 | C20 | O2 | 178.6° | 179.9° |
| N6 | C18 | C20 | N8 | 147.1° | 7.4° |
| N6 | C18 | C20 | C21 | 33.3° | 172.3° |
| HA | N6 | C18 | C20 | 1.5° | 6.5° |
| HA | N6 | C18 | O2 | 179.9° | 173.5° |
| H151 | C15 | H152 | H153 | 119.9° | 120.0° |
| C19 | C16 | H161 | H162 | 120.3° | 119.9° |
| C16 | C19 | C17 | N7 | 123.3° | 120.0° |
| C16 | C19 | C17 | H19 | 117.8° | 120.0° |
| C16 | C19 | C17 | H171 | 61.3° | 60.0° |
| C16 | C19 | C17 | H172 | 178.6° | 180.0° |
| C16 | C19 | N7 | H19 | 117.7° | 120.0° |
| C16 | C19 | N7 | C22 | 62.7° | 175.0° |
| C16 | C19 | N7 | C23 | 59.5° | 61.0° |
| H161 | C16 | C19 | C17 | 179.6° | 60.1° |
| H161 | C16 | C19 | N7 | 59.2° | 59.9° |
| H161 | C16 | C19 | H19 | 59.6° | 180.0° |
| H162 | C16 | C19 | C17 | 60.0° | 180.0° |
| H162 | C16 | C19 | N7 | 60.4° | 60.0° |
| H162 | C16 | C19 | H19 | 179.2° | 60.1° |
| C19 | C17 | H171 | H172 | 120.0° | 120.0° |
| C17 | C19 | N7 | H19 | 120.9° | 120.0° |
| C17 | C19 | N7 | C22 | 58.8° | 65.0° |
| C17 | C19 | N7 | C23 | 179.0° | 179.0° |
| H171 | C17 | C19 | N7 | 62.0° | 60.0° |
| H171 | C17 | C19 | H19 | 179.1° | 180.0° |
| H172 | C17 | C19 | N7 | 58.1° | 60.0° |
| H172 | C17 | C19 | H19 | 60.9° | 60.0° |
| C18 | C20 | N8 | C21 | 179.6° | 179.7° |
| C18 | C20 | N8 | C24 | 179.4° | 179.8° |
| C18 | C20 | N8 | C25 | 0.3° | 0.1° |
| C18 | C20 | C21 | C26 | 179.5° | 180.0° |
| C18 | C20 | C21 | H21 | 0.5° | 0.1° |
| O2 | C18 | C20 | N8 | 34.3° | 172.7° |
| O2 | C18 | C20 | C21 | 145.3° | 7.7° |
| C19 | N7 | C22 | C23 | 121.8° | 113.9° |
| C19 | N7 | C22 | C27 | 178.6° | 175.1° |
| C19 | N7 | C22 | H221 | 61.3° | 55.0° |
| C19 | N7 | C22 | H222 | 58.6° | 64.9° |
| C19 | N7 | C23 | C28 | 178.8° | 175.1° |
| C19 | N7 | C23 | H231 | 58.8° | 64.9° |
| C19 | N7 | C23 | H232 | 61.2° | 55.0° |
| H19 | C19 | N7 | C22 | 179.6° | 55.0° |
| H19 | C19 | N7 | C23 | 58.2° | 59.0° |
| C20 | N8 | C24 | C25 | 179.7° | 179.9° |
| N8 | C20 | C21 | C26 | 0.2° | 0.3° |
| N8 | C20 | C21 | H21 | 179.8° | 179.8° |
| C20 | N8 | C24 | C26 | 0.3° | 0.4° |
| C20 | N8 | C24 | C29 | 179.8° | 179.8° |
| C20 | N8 | C25 | H251 | 84.6° | 84.1° |
| C20 | N8 | C25 | H252 | 155.4° | 35.9° |
| C20 | N8 | C25 | H253 | 35.4° | 155.9° |
| C21 | C20 | N8 | C24 | 0.3° | 0.5° |
| C21 | C20 | N8 | C25 | 180.0° | 179.6° |
| C20 | C21 | C26 | H21 | 180.0° | 179.9° |
| C20 | C21 | C26 | C24 | 0.0° | 0.1° |
| C20 | C21 | C26 | C30 | 179.9° | 180.0° |
| N7 | C22 | C27 | H221 | 120.0° | 120.1° |
| N7 | C22 | C27 | H222 | 120.0° | 120.0° |
| N7 | C22 | H221 | H222 | 120.0° | 119.9° |
| C22 | N7 | C23 | C28 | 58.0° | 61.3° |
| C22 | N7 | C23 | H231 | 178.1° | 178.7° |
| C22 | N7 | C23 | H232 | 62.0° | 58.8° |
| N7 | C22 | C27 | N9 | 60.6° | 63.0° |
| N7 | C22 | C27 | H271 | 179.4° | 177.0° |
| N7 | C22 | C27 | H272 | 59.4° | 57.1° |
| C23 | N7 | C22 | C27 | 59.6° | 61.2° |
| C23 | N7 | C22 | H221 | 60.4° | 58.8° |
| C23 | N7 | C22 | H222 | 179.6° | 178.7° |
| N7 | C23 | C28 | H231 | 120.0° | 120.0° |
| N7 | C23 | C28 | H232 | 120.0° | 120.1° |
| N7 | C23 | H231 | H232 | 120.1° | 119.9° |
| N7 | C23 | C28 | N9 | 57.7° | 63.0° |
| N7 | C23 | C28 | H281 | 61.8° | 177.0° |
| N7 | C23 | C28 | H282 | 177.7° | 57.1° |
| N8 | C24 | C26 | C21 | 0.2° | 0.2° |
| N8 | C24 | C26 | C29 | 179.9° | 179.8° |
| C24 | N8 | C25 | H251 | 95.0° | 96.1° |
| C24 | N8 | C25 | H252 | 25.0° | 144.0° |
| C24 | N8 | C25 | H253 | 145.0° | 24.0° |
| N8 | C24 | C26 | C30 | 179.9° | 179.7° |
| N8 | C24 | C29 | C31 | 180.0° | 179.6° |
| N8 | C24 | C29 | H29 | 0.0° | 0.3° |
| C25 | N8 | C24 | C26 | 180.0° | 179.7° |
| C25 | N8 | C24 | C29 | 0.1° | 0.0° |
| N8 | C25 | H251 | H252 | 120.0° | 119.9° |
| N8 | C25 | H251 | H253 | 120.0° | 120.1° |
| N8 | C25 | H252 | H253 | 120.0° | 120.0° |
| C21 | C26 | C24 | C30 | 179.9° | 180.0° |
| C21 | C26 | C24 | C29 | 179.9° | 180.0° |
| C21 | C26 | C30 | C32 | 179.8° | 179.9° |
| C21 | C26 | C30 | H30 | 0.2° | 0.0° |
| H21 | C21 | C26 | C24 | 180.0° | 179.9° |
| H21 | C21 | C26 | C30 | 0.1° | 0.1° |
| C27 | C22 | H221 | H222 | 120.0° | 119.9° |
| C22 | C27 | N9 | H271 | 119.9° | 120.0° |
| C22 | C27 | N9 | H272 | 120.0° | 120.1° |
| C22 | C27 | H271 | H272 | 120.0° | 120.0° |
| C22 | C27 | N9 | C28 | 60.1° | 61.2° |
| C22 | C27 | N9 | C33 | 179.5° | 175.1° |
| H221 | C22 | C27 | N9 | 59.4° | 57.1° |
| H221 | C22 | C27 | H271 | 60.5° | 62.9° |
| H221 | C22 | C27 | H272 | 179.4° | 177.2° |
| H222 | C22 | C27 | N9 | 179.4° | 177.0° |
| H222 | C22 | C27 | H271 | 59.4° | 57.0° |
| H222 | C22 | C27 | H272 | 60.6° | 62.9° |
| C28 | C23 | H231 | H232 | 120.0° | 119.9° |
| C23 | C28 | N9 | C27 | 59.1° | 61.2° |
| C23 | C28 | N9 | H281 | 119.5° | 120.1° |
| C23 | C28 | N9 | H282 | 120.0° | 120.1° |
| C23 | C28 | H281 | H282 | 119.7° | 120.0° |
| C23 | C28 | N9 | C33 | 179.6° | 175.1° |
| H231 | C23 | C28 | N9 | 177.7° | 177.0° |
| H231 | C23 | C28 | H281 | 58.2° | 57.0° |
| H231 | C23 | C28 | H282 | 62.3° | 63.0° |
| H232 | C23 | C28 | N9 | 62.3° | 57.1° |
| H232 | C23 | C28 | H281 | 178.2° | 62.9° |
| H232 | C23 | C28 | H282 | 57.7° | 177.2° |
| C26 | C24 | C29 | C31 | 0.0° | 0.1° |
| C26 | C24 | C29 | H29 | 180.0° | 180.0° |
| C24 | C26 | C30 | C32 | 0.0° | 0.0° |
| C24 | C26 | C30 | H30 | 179.9° | 180.0° |
| C29 | C24 | C26 | C30 | 0.0° | 0.0° |
| C24 | C29 | C31 | H29 | 180.0° | 179.9° |
| C24 | C29 | C31 | C32 | 0.1° | 0.1° |
| C24 | C29 | C31 | H31 | 179.9° | 180.0° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |
| C26 | C30 | C32 | H30 | 180.0° | 179.9° |
| C26 | C30 | C32 | C31 | 0.0° | 0.0° |
| C26 | C30 | C32 | H32 | 180.0° | 180.0° |
| N9 | C27 | H271 | H272 | 119.9° | 119.9° |
| C27 | N9 | C28 | C33 | 120.5° | 113.9° |
| C27 | N9 | C28 | H281 | 60.4° | 178.7° |
| C27 | N9 | C28 | H282 | 179.1° | 58.9° |
| C27 | N9 | C33 | H331 | 106.4° | 60.0° |
| C27 | N9 | C33 | H332 | 133.6° | 180.0° |
| C27 | N9 | C33 | H333 | 13.6° | 59.9° |
| H271 | C27 | N9 | C28 | 179.9° | 178.7° |
| H271 | C27 | N9 | C33 | 59.5° | 64.8° |
| H272 | C27 | N9 | C28 | 59.9° | 58.9° |
| H272 | C27 | N9 | C33 | 60.5° | 55.0° |
| N9 | C28 | H281 | H282 | 119.7° | 119.9° |
| C28 | N9 | C33 | H331 | 13.9° | 54.0° |
| C28 | N9 | C33 | H332 | 106.1° | 66.0° |
| C28 | N9 | C33 | H333 | 133.9° | 173.9° |
| H281 | C28 | N9 | C33 | 60.1° | 64.8° |
| H282 | C28 | N9 | C33 | 60.4° | 55.0° |
| C29 | C31 | C32 | C30 | 0.1° | 0.0° |
| C29 | C31 | C32 | H31 | 180.0° | 179.9° |
| C29 | C31 | C32 | H32 | 179.9° | 179.9° |
| H29 | C29 | C31 | C32 | 179.9° | 180.0° |
| H29 | C29 | C31 | H31 | 0.1° | 0.1° |
| C30 | C32 | C31 | H32 | 180.0° | 180.0° |
| C30 | C32 | C31 | H31 | 179.9° | 180.0° |
| H30 | C30 | C32 | C31 | 180.0° | 180.0° |
| H30 | C30 | C32 | H32 | 0.0° | 0.1° |
| N9 | C33 | H331 | H332 | 120.0° | 120.0° |
| N9 | C33 | H331 | H333 | 120.0° | 119.9° |
| N9 | C33 | H332 | H333 | 120.0° | 120.0° |
| H31 | C31 | C32 | H32 | 0.1° | 0.0° |
| H331 | C33 | H332 | H333 | 120.0° | 120.0° |
