G2G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C1 | sing | 1.40Å | 1.43Å | Aromatic |
| C3 | C7 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | N7 | doub | 1.32Å | 1.35Å | Aromatic |
| C2 | C10 | sing | 1.40Å | 1.42Å | Aromatic |
| C2 | N1 | sing | 1.40Å | 1.48Å | |
| N1 | C24 | sing | 1.35Å | 1.32Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C7 | C36 | sing | 1.38Å | 1.43Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C25 | sing | 1.38Å | 1.44Å | Aromatic |
| C8 | C30 | doub | 1.39Å | 1.41Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | C12 | doub | 1.35Å | 1.41Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C25 | N4 | sing | 1.39Å | 1.38Å | |
| C25 | C4 | doub | 1.41Å | 1.44Å | Aromatic |
| C26 | C27 | doub | 1.36Å | 1.43Å | Aromatic |
| C26 | C4 | sing | 1.40Å | 1.44Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | sing | 1.39Å | 1.43Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C9 | N3 | sing | 1.47Å | 1.50Å | |
| C9 | C33 | sing | 1.53Å | 1.55Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C12 | C14 | sing | 1.51Å | 1.54Å | |
| C12 | N8 | sing | 1.35Å | 1.37Å | Aromatic |
| C13 | C19 | sing | 1.40Å | 1.44Å | Aromatic |
| C13 | N7 | sing | 1.37Å | 1.42Å | Aromatic |
| C13 | C18 | doub | 1.39Å | 1.45Å | Aromatic |
| C14 | C17 | sing | 1.53Å | 1.54Å | |
| C14 | C16 | sing | 1.53Å | 1.54Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C18 | C21 | sing | 1.38Å | 1.44Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C20 | doub | 1.38Å | 1.43Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | C34 | sing | 1.38Å | 1.43Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | C34 | doub | 1.38Å | 1.44Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | C34 | sing | 1.51Å | 1.47Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| N7 | N8 | sing | 1.40Å | 1.40Å | Aromatic |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| C24 | O1 | doub | 1.22Å | 1.21Å | |
| C24 | N4 | sing | 1.35Å | 1.34Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C4 | C5 | sing | 1.42Å | 1.49Å | Aromatic |
| C5 | C29 | sing | 1.40Å | 1.45Å | Aromatic |
| C5 | C6 | doub | 1.42Å | 1.46Å | Aromatic |
| C6 | C30 | sing | 1.38Å | 1.44Å | Aromatic |
| C6 | C1 | sing | 1.48Å | 1.49Å | Aromatic |
| C28 | C29 | doub | 1.36Å | 1.43Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C37 | C1 | doub | 1.39Å | 1.42Å | Aromatic |
| C37 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C36 | N2 | doub | 1.32Å | 1.36Å | Aromatic |
| C36 | C23 | sing | 1.51Å | 1.52Å | |
| C23 | N3 | sing | 1.47Å | 1.51Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| N3 | C31 | sing | 1.47Å | 1.52Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | O2 | sing | 1.43Å | 1.43Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | O2 | sing | 1.43Å | 1.47Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C3 | C7 | 120.5° | 118.3° |
| C1 | C3 | H3 | 119.8° | 120.8° |
| C3 | C1 | C6 | 121.4° | 120.6° |
| C3 | C1 | C37 | 119.2° | 118.9° |
| C7 | C3 | H3 | 119.8° | 120.8° |
| C3 | C7 | C36 | 116.4° | 119.3° |
| C3 | C7 | H7 | 121.8° | 120.3° |
| N7 | C2 | C10 | 113.9° | 108.0° |
| N7 | C2 | N1 | 122.7° | 126.0° |
| C2 | N7 | C13 | 131.5° | 126.0° |
| C2 | N7 | N8 | 103.9° | 108.1° |
| C10 | C2 | N1 | 123.4° | 126.0° |
| C2 | C10 | C12 | 102.5° | 108.0° |
| C2 | C10 | H10 | 128.7° | 126.0° |
| C2 | N1 | C24 | 128.5° | 120.0° |
| C2 | N1 | HN1 | 115.8° | 119.9° |
| C24 | N1 | HN1 | 115.8° | 120.0° |
| N1 | C24 | O1 | 124.2° | 120.0° |
| N1 | C24 | N4 | 114.0° | 120.0° |
| C36 | C7 | H7 | 121.8° | 120.4° |
| C7 | C36 | N2 | 121.2° | 121.0° |
| C7 | C36 | C23 | 120.7° | 119.5° |
| C25 | C8 | C30 | 120.8° | 120.9° |
| C25 | C8 | H8 | 119.6° | 119.5° |
| C8 | C25 | N4 | 118.5° | 120.1° |
| C8 | C25 | C4 | 119.6° | 119.8° |
| C30 | C8 | H8 | 119.6° | 119.6° |
| C8 | C30 | C6 | 121.2° | 120.8° |
| C8 | C30 | H30 | 119.4° | 119.6° |
| C12 | C10 | H10 | 128.7° | 126.0° |
| C10 | C12 | C14 | 127.1° | 126.0° |
| C10 | C12 | N8 | 109.0° | 108.0° |
| N4 | C25 | C4 | 121.9° | 120.1° |
| C25 | N4 | C24 | 121.3° | 120.0° |
| C25 | N4 | HN4 | 119.4° | 120.0° |
| C25 | C4 | C26 | 120.5° | 121.1° |
| C25 | C4 | C5 | 120.4° | 119.5° |
| C27 | C26 | C4 | 120.5° | 119.6° |
| C27 | C26 | H26 | 119.7° | 120.2° |
| C26 | C27 | C28 | 120.7° | 121.0° |
| C26 | C27 | H27 | 119.6° | 119.5° |
| C4 | C26 | H26 | 119.8° | 120.2° |
| C26 | C4 | C5 | 119.1° | 119.4° |
| C28 | C27 | H27 | 119.7° | 119.5° |
| C27 | C28 | C29 | 120.3° | 120.9° |
| C27 | C28 | H28 | 119.8° | 119.6° |
| N3 | C9 | C33 | 108.9° | 109.2° |
| N3 | C9 | H91 | 109.7° | 109.5° |
| N3 | C9 | H92 | 109.8° | 109.5° |
| C9 | N3 | C23 | 108.3° | 111.0° |
| C9 | N3 | C31 | 109.5° | 110.8° |
| C33 | C9 | H91 | 109.6° | 109.5° |
| C33 | C9 | H92 | 109.8° | 109.5° |
| C9 | C33 | O2 | 109.9° | 109.3° |
| C9 | C33 | H331 | 109.3° | 109.5° |
| C9 | C33 | H332 | 109.2° | 109.5° |
| H91 | C9 | H92 | 109.0° | 109.6° |
| C14 | C12 | N8 | 123.8° | 126.0° |
| C12 | C14 | C17 | 110.2° | 109.5° |
| C12 | C14 | C16 | 109.8° | 109.5° |
| C12 | C14 | C15 | 108.3° | 109.5° |
| C12 | N8 | N7 | 110.7° | 108.0° |
| C12 | N8 | HN8 | 124.6° | 126.0° |
| C19 | C13 | N7 | 118.4° | 120.1° |
| C19 | C13 | C18 | 119.0° | 119.7° |
| C13 | C19 | C20 | 120.9° | 119.9° |
| C13 | C19 | H19 | 119.6° | 120.1° |
| N7 | C13 | C18 | 122.6° | 120.1° |
| C13 | N7 | N8 | 124.6° | 125.9° |
| C13 | C18 | C21 | 120.7° | 119.9° |
| C13 | C18 | H18 | 119.7° | 120.1° |
| C17 | C14 | C16 | 109.6° | 109.5° |
| C17 | C14 | C15 | 109.8° | 109.5° |
| C14 | C17 | H171 | 109.5° | 109.5° |
| C14 | C17 | H172 | 109.5° | 109.4° |
| C14 | C17 | H173 | 109.5° | 109.4° |
| C16 | C14 | C15 | 109.2° | 109.5° |
| C14 | C16 | H161 | 109.5° | 109.4° |
| C14 | C16 | H162 | 109.5° | 109.5° |
| C14 | C16 | H163 | 109.5° | 109.4° |
| C14 | C15 | H151 | 109.5° | 109.5° |
| C14 | C15 | H152 | 109.5° | 109.5° |
| C14 | C15 | H153 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H151 | C15 | H153 | 109.5° | 109.5° |
| H152 | C15 | H153 | 109.5° | 109.4° |
| H161 | C16 | H162 | 109.4° | 109.5° |
| H161 | C16 | H163 | 109.4° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H171 | C17 | H173 | 109.4° | 109.5° |
| H172 | C17 | H173 | 109.5° | 109.5° |
| C21 | C18 | H18 | 119.7° | 120.0° |
| C18 | C21 | C34 | 118.6° | 120.1° |
| C18 | C21 | H21 | 120.7° | 120.0° |
| C20 | C19 | H19 | 119.6° | 120.1° |
| C19 | C20 | C34 | 119.3° | 120.1° |
| C19 | C20 | H20 | 120.3° | 119.9° |
| C34 | C20 | H20 | 120.3° | 119.9° |
| C20 | C34 | C21 | 121.5° | 120.3° |
| C20 | C34 | C22 | 118.3° | 119.8° |
| C34 | C21 | H21 | 120.7° | 119.9° |
| C21 | C34 | C22 | 120.1° | 119.9° |
| C34 | C22 | H221 | 109.5° | 109.5° |
| C34 | C22 | H222 | 109.4° | 109.5° |
| C34 | C22 | H223 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H221 | C22 | H223 | 109.4° | 109.5° |
| H222 | C22 | H223 | 109.5° | 109.5° |
| N7 | N8 | HN8 | 124.7° | 126.0° |
| O1 | C24 | N4 | 121.8° | 120.0° |
| C24 | N4 | HN4 | 119.4° | 120.0° |
| C4 | C5 | C29 | 118.7° | 119.4° |
| C4 | C5 | C6 | 117.5° | 119.4° |
| C29 | C5 | C6 | 123.8° | 121.2° |
| C5 | C29 | C28 | 120.7° | 119.7° |
| C5 | C29 | H29 | 119.7° | 120.1° |
| C5 | C6 | C30 | 120.4° | 119.6° |
| C5 | C6 | C1 | 124.9° | 120.2° |
| C30 | C6 | C1 | 114.7° | 120.2° |
| C6 | C30 | H30 | 119.4° | 119.6° |
| C6 | C1 | C37 | 119.4° | 120.5° |
| C29 | C28 | H28 | 119.8° | 119.5° |
| C28 | C29 | H29 | 119.7° | 120.2° |
| C1 | C37 | N2 | 118.9° | 120.6° |
| C1 | C37 | H37 | 120.6° | 119.7° |
| N2 | C37 | H37 | 120.5° | 119.7° |
| C37 | N2 | C36 | 123.9° | 121.9° |
| N2 | C36 | C23 | 118.1° | 119.5° |
| C36 | C23 | N3 | 113.1° | 109.4° |
| C36 | C23 | H231 | 108.3° | 109.5° |
| C36 | C23 | H232 | 107.5° | 109.5° |
| N3 | C23 | H231 | 108.3° | 109.5° |
| N3 | C23 | H232 | 107.4° | 109.4° |
| C23 | N3 | C31 | 112.6° | 111.0° |
| H231 | C23 | H232 | 112.3° | 109.5° |
| N3 | C31 | C32 | 110.4° | 109.3° |
| N3 | C31 | H311 | 109.1° | 109.5° |
| N3 | C31 | H312 | 108.9° | 109.5° |
| C32 | C31 | H311 | 109.2° | 109.5° |
| C32 | C31 | H312 | 109.0° | 109.5° |
| C31 | C32 | O2 | 107.6° | 109.2° |
| C31 | C32 | H321 | 110.1° | 109.5° |
| C31 | C32 | H322 | 110.5° | 109.5° |
| H311 | C31 | H312 | 110.2° | 109.5° |
| O2 | C32 | H321 | 110.1° | 109.6° |
| O2 | C32 | H322 | 110.5° | 109.5° |
| C32 | O2 | C33 | 113.7° | 113.7° |
| H321 | C32 | H322 | 108.0° | 109.5° |
| O2 | C33 | H331 | 109.4° | 109.5° |
| O2 | C33 | H332 | 109.2° | 109.5° |
| H331 | C33 | H332 | 109.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C3 | C7 | H3 | 180.0° | 179.8° |
| C1 | C3 | C7 | C36 | 0.1° | 0.1° |
| C1 | C3 | C7 | H7 | 179.9° | 180.0° |
| C3 | C1 | C6 | C5 | 118.5° | 130.0° |
| C3 | C1 | C6 | C30 | 61.9° | 49.9° |
| C3 | C1 | C6 | C37 | 178.8° | 180.0° |
| C3 | C1 | C37 | N2 | 0.2° | 0.1° |
| C3 | C1 | C37 | H37 | 179.8° | 179.9° |
| C3 | C7 | C36 | H7 | 180.0° | 180.0° |
| C7 | C3 | C1 | C6 | 178.4° | 180.0° |
| C7 | C3 | C1 | C37 | 0.4° | 0.1° |
| C3 | C7 | C36 | N2 | 0.3° | 0.1° |
| C3 | C7 | C36 | C23 | 178.6° | 180.0° |
| H3 | C3 | C7 | C36 | 179.9° | 179.7° |
| H3 | C3 | C7 | H7 | 0.1° | 0.2° |
| H3 | C3 | C1 | C6 | 1.6° | 0.2° |
| H3 | C3 | C1 | C37 | 179.6° | 179.7° |
| N7 | C2 | C10 | N1 | 179.3° | 179.8° |
| N7 | C2 | N1 | C24 | 177.1° | 180.0° |
| N7 | C2 | N1 | HN1 | 2.9° | 0.0° |
| N7 | C2 | C10 | C12 | 0.0° | 0.0° |
| N7 | C2 | C10 | H10 | 180.0° | 180.0° |
| C2 | N7 | N8 | C12 | 0.1° | 0.0° |
| C2 | N7 | C13 | C19 | 141.2° | 135.0° |
| C2 | N7 | C13 | N8 | 178.8° | 180.0° |
| C2 | N7 | C13 | C18 | 39.6° | 44.7° |
| C2 | N7 | N8 | HN8 | 179.9° | 180.0° |
| C10 | C2 | N1 | C24 | 2.2° | 0.3° |
| C10 | C2 | N1 | HN1 | 177.8° | 179.7° |
| C2 | C10 | C12 | H10 | 180.0° | 180.0° |
| C2 | C10 | C12 | C14 | 179.1° | 180.0° |
| C2 | C10 | C12 | N8 | 0.0° | 0.0° |
| C10 | C2 | N7 | C13 | 179.1° | 180.0° |
| C10 | C2 | N7 | N8 | 0.1° | 0.0° |
| C2 | N1 | C24 | HN1 | 180.0° | 180.0° |
| N1 | C2 | C10 | C12 | 179.3° | 179.7° |
| N1 | C2 | C10 | H10 | 0.7° | 0.2° |
| N1 | C2 | N7 | C13 | 0.3° | 0.2° |
| N1 | C2 | N7 | N8 | 179.3° | 179.8° |
| C2 | N1 | C24 | O1 | 2.2° | 0.0° |
| C2 | N1 | C24 | N4 | 178.9° | 180.0° |
| N1 | C24 | N4 | C25 | 158.0° | 174.4° |
| N1 | C24 | O1 | N4 | 178.8° | 180.0° |
| N1 | C24 | N4 | HN4 | 22.0° | 5.6° |
| HN1 | N1 | C24 | O1 | 177.8° | 180.0° |
| HN1 | N1 | C24 | N4 | 1.0° | 0.0° |
| C7 | C36 | N2 | C37 | 0.5° | 0.0° |
| C7 | C36 | N2 | C23 | 178.9° | 179.9° |
| C7 | C36 | C23 | N3 | 84.7° | 95.0° |
| C7 | C36 | C23 | H231 | 35.3° | 145.0° |
| C7 | C36 | C23 | H232 | 156.9° | 24.9° |
| H7 | C7 | C36 | N2 | 179.7° | 180.0° |
| H7 | C7 | C36 | C23 | 1.5° | 0.1° |
| C25 | C8 | C30 | H8 | 180.0° | 179.8° |
| C8 | C25 | N4 | C4 | 179.8° | 180.0° |
| C8 | C25 | C4 | C26 | 179.9° | 180.0° |
| C8 | C25 | N4 | C24 | 64.7° | 24.9° |
| C8 | C25 | N4 | HN4 | 115.3° | 155.1° |
| C8 | C25 | C4 | C5 | 0.3° | 0.0° |
| C25 | C8 | C30 | C6 | 0.1° | 0.0° |
| C25 | C8 | C30 | H30 | 179.9° | 180.0° |
| C30 | C8 | C25 | N4 | 179.8° | 180.0° |
| C30 | C8 | C25 | C4 | 0.1° | 0.0° |
| C8 | C30 | C6 | C5 | 0.3° | 0.0° |
| C8 | C30 | C6 | H30 | 180.0° | 180.0° |
| C8 | C30 | C6 | C1 | 179.4° | 180.0° |
| H8 | C8 | C25 | N4 | 0.3° | 0.2° |
| H8 | C8 | C25 | C4 | 179.9° | 179.8° |
| H8 | C8 | C30 | C6 | 179.9° | 179.8° |
| H8 | C8 | C30 | H30 | 0.1° | 0.2° |
| C10 | C12 | C14 | N8 | 179.0° | 180.0° |
| C10 | C12 | C14 | C17 | 76.4° | 0.0° |
| C10 | C12 | C14 | C16 | 162.9° | 120.0° |
| C10 | C12 | C14 | C15 | 43.8° | 120.0° |
| C10 | C12 | N8 | N7 | 0.1° | 0.0° |
| C10 | C12 | N8 | HN8 | 179.9° | 180.0° |
| H10 | C10 | C12 | C14 | 0.9° | 0.0° |
| H10 | C10 | C12 | N8 | 180.0° | 180.0° |
| N4 | C25 | C4 | C26 | 0.3° | 0.0° |
| C25 | N4 | C24 | O1 | 20.9° | 5.6° |
| C25 | N4 | C24 | HN4 | 180.0° | 180.0° |
| N4 | C25 | C4 | C5 | 179.8° | 180.0° |
| C25 | C4 | C26 | C27 | 179.8° | 180.0° |
| C25 | C4 | C26 | C5 | 179.6° | 180.0° |
| C25 | C4 | C26 | H26 | 0.2° | 0.1° |
| C4 | C25 | N4 | C24 | 115.2° | 155.1° |
| C4 | C25 | N4 | HN4 | 64.8° | 24.9° |
| C25 | C4 | C5 | C29 | 179.8° | 180.0° |
| C25 | C4 | C5 | C6 | 0.7° | 0.0° |
| C27 | C26 | C4 | H26 | 180.0° | 179.9° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C27 | C26 | C4 | C5 | 0.3° | 0.0° |
| C26 | C27 | C28 | C29 | 0.2° | 0.0° |
| C26 | C27 | C28 | H28 | 179.8° | 180.0° |
| C4 | C26 | C27 | C28 | 0.3° | 0.0° |
| C4 | C26 | C27 | H27 | 179.7° | 180.0° |
| C26 | C4 | C5 | C29 | 0.2° | 0.0° |
| C26 | C4 | C5 | C6 | 179.7° | 180.0° |
| H26 | C26 | C27 | C28 | 179.7° | 180.0° |
| H26 | C26 | C27 | H27 | 0.3° | 0.0° |
| H26 | C26 | C4 | C5 | 179.7° | 180.0° |
| C27 | C28 | C29 | C5 | 0.2° | 0.0° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | H29 | 179.8° | 179.9° |
| H27 | C27 | C28 | C29 | 179.7° | 180.0° |
| H27 | C27 | C28 | H28 | 0.3° | 0.0° |
| N3 | C9 | C33 | H91 | 120.0° | 119.9° |
| N3 | C9 | C33 | H92 | 120.2° | 119.9° |
| N3 | C9 | H91 | H92 | 120.2° | 120.1° |
| C9 | N3 | C23 | C36 | 152.6° | 170.0° |
| C9 | N3 | C23 | C31 | 121.2° | 123.6° |
| C9 | N3 | C23 | H231 | 87.4° | 50.0° |
| C9 | N3 | C23 | H232 | 34.1° | 70.0° |
| C9 | N3 | C31 | C32 | 59.8° | 58.6° |
| C9 | N3 | C31 | H311 | 60.2° | 61.3° |
| C9 | N3 | C31 | H312 | 179.4° | 178.6° |
| N3 | C9 | C33 | O2 | 55.9° | 56.8° |
| N3 | C9 | C33 | H331 | 64.1° | 63.1° |
| N3 | C9 | C33 | H332 | 175.8° | 176.8° |
| C33 | C9 | H91 | H92 | 120.2° | 120.2° |
| C33 | C9 | N3 | C23 | 180.0° | 177.6° |
| C33 | C9 | N3 | C31 | 57.0° | 58.6° |
| C9 | C33 | O2 | C32 | 59.7° | 58.7° |
| C9 | C33 | O2 | H331 | 120.0° | 120.0° |
| C9 | C33 | O2 | H332 | 119.8° | 119.9° |
| C9 | C33 | H331 | H332 | 119.8° | 120.1° |
| H91 | C9 | N3 | C23 | 60.0° | 57.7° |
| H91 | C9 | N3 | C31 | 177.0° | 178.6° |
| H91 | C9 | C33 | O2 | 176.0° | 176.8° |
| H91 | C9 | C33 | H331 | 55.9° | 56.8° |
| H91 | C9 | C33 | H332 | 64.2° | 63.3° |
| H92 | C9 | N3 | C23 | 59.8° | 62.5° |
| H92 | C9 | N3 | C31 | 63.2° | 61.3° |
| H92 | C9 | C33 | O2 | 64.3° | 63.0° |
| H92 | C9 | C33 | H331 | 175.7° | 177.0° |
| H92 | C9 | C33 | H332 | 55.5° | 56.9° |
| C12 | C14 | C17 | C16 | 120.9° | 120.0° |
| C12 | C14 | C17 | C15 | 119.2° | 120.0° |
| C12 | C14 | C16 | C15 | 118.6° | 120.0° |
| C12 | C14 | C15 | H151 | 49.3° | 60.0° |
| C12 | C14 | C15 | H152 | 70.7° | 180.0° |
| C12 | C14 | C15 | H153 | 169.3° | 60.0° |
| C12 | C14 | C16 | H161 | 97.4° | 60.0° |
| C12 | C14 | C16 | H162 | 142.6° | 180.0° |
| C12 | C14 | C16 | H163 | 22.6° | 60.0° |
| C12 | C14 | C17 | H171 | 99.2° | 60.0° |
| C12 | C14 | C17 | H172 | 20.8° | 180.0° |
| C12 | C14 | C17 | H173 | 140.8° | 60.0° |
| C14 | C12 | N8 | N7 | 179.2° | 180.0° |
| C14 | C12 | N8 | HN8 | 0.8° | 0.0° |
| C12 | N8 | N7 | C13 | 179.2° | 180.0° |
| N8 | C12 | C14 | C17 | 104.7° | 180.0° |
| N8 | C12 | C14 | C16 | 16.1° | 60.0° |
| N8 | C12 | C14 | C15 | 135.2° | 60.0° |
| C12 | N8 | N7 | HN8 | 180.0° | 180.0° |
| C19 | C13 | N7 | C18 | 179.2° | 179.7° |
| C19 | C13 | C18 | C21 | 0.2° | 0.0° |
| C19 | C13 | C18 | H18 | 179.8° | 180.0° |
| C13 | C19 | C20 | H19 | 180.0° | 180.0° |
| C13 | C19 | C20 | C34 | 0.1° | 0.0° |
| C13 | C19 | C20 | H20 | 179.9° | 180.0° |
| C19 | C13 | N7 | N8 | 39.9° | 45.0° |
| N7 | C13 | C18 | C21 | 179.0° | 179.7° |
| N7 | C13 | C18 | H18 | 1.1° | 0.3° |
| N7 | C13 | C19 | C20 | 178.9° | 180.0° |
| N7 | C13 | C19 | H19 | 1.0° | 0.0° |
| C13 | N7 | N8 | HN8 | 0.8° | 0.0° |
| C13 | C18 | C21 | H18 | 180.0° | 180.0° |
| C18 | C13 | C19 | C20 | 0.2° | 0.3° |
| C18 | C13 | C19 | H19 | 179.8° | 179.7° |
| C13 | C18 | C21 | C34 | 0.0° | 0.6° |
| C13 | C18 | C21 | H21 | 180.0° | 180.0° |
| C18 | C13 | N7 | N8 | 139.2° | 135.3° |
| C17 | C14 | C16 | C15 | 120.3° | 120.0° |
| C17 | C14 | C15 | H151 | 169.6° | 180.0° |
| C17 | C14 | C15 | H152 | 49.7° | 60.0° |
| C17 | C14 | C15 | H153 | 70.4° | 59.9° |
| C17 | C14 | C16 | H161 | 141.5° | 60.0° |
| C17 | C14 | C16 | H162 | 21.5° | 60.0° |
| C17 | C14 | C16 | H163 | 98.5° | 180.0° |
| C14 | C17 | H171 | H172 | 120.0° | 120.0° |
| C14 | C17 | H171 | H173 | 120.0° | 120.0° |
| C14 | C17 | H172 | H173 | 120.0° | 119.9° |
| C16 | C14 | C15 | H151 | 70.2° | 60.0° |
| C16 | C14 | C15 | H152 | 169.8° | 60.0° |
| C16 | C14 | C15 | H153 | 49.8° | 180.0° |
| C14 | C16 | H161 | H162 | 120.0° | 120.0° |
| C14 | C16 | H161 | H163 | 120.0° | 119.9° |
| C14 | C16 | H162 | H163 | 120.0° | 119.9° |
| C16 | C14 | C17 | H171 | 139.9° | 180.0° |
| C16 | C14 | C17 | H172 | 100.1° | 60.0° |
| C16 | C14 | C17 | H173 | 19.9° | 60.0° |
| C14 | C15 | H151 | H152 | 120.0° | 120.0° |
| C14 | C15 | H151 | H153 | 120.0° | 120.0° |
| C14 | C15 | H152 | H153 | 120.0° | 120.0° |
| C15 | C14 | C16 | H161 | 21.2° | 180.0° |
| C15 | C14 | C16 | H162 | 98.8° | 60.0° |
| C15 | C14 | C16 | H163 | 141.2° | 60.0° |
| C15 | C14 | C17 | H171 | 20.0° | 60.0° |
| C15 | C14 | C17 | H172 | 139.9° | 60.1° |
| C15 | C14 | C17 | H173 | 100.0° | 180.0° |
| H151 | C15 | H152 | H153 | 120.0° | 120.0° |
| H161 | C16 | H162 | H163 | 119.9° | 120.1° |
| H171 | C17 | H172 | H173 | 120.0° | 120.1° |
| C18 | C21 | C34 | C20 | 0.2° | 0.8° |
| C18 | C21 | C34 | H21 | 180.0° | 179.5° |
| C18 | C21 | C34 | C22 | 179.8° | 179.8° |
| H18 | C18 | C21 | C34 | 180.0° | 179.4° |
| H18 | C18 | C21 | H21 | 0.0° | 0.0° |
| C19 | C20 | C34 | H20 | 180.0° | 179.9° |
| C19 | C20 | C34 | C21 | 0.2° | 0.5° |
| C19 | C20 | C34 | C22 | 179.8° | 179.9° |
| H19 | C19 | C20 | C34 | 179.9° | 180.0° |
| H19 | C19 | C20 | H20 | 0.1° | 0.1° |
| C20 | C34 | C21 | C22 | 180.0° | 179.4° |
| C20 | C34 | C21 | H21 | 179.8° | 179.7° |
| C20 | C34 | C22 | H221 | 14.5° | 90.0° |
| C20 | C34 | C22 | H222 | 134.5° | 150.0° |
| C20 | C34 | C22 | H223 | 105.5° | 30.0° |
| H20 | C20 | C34 | C21 | 179.8° | 179.4° |
| H20 | C20 | C34 | C22 | 0.2° | 0.0° |
| C21 | C34 | C22 | H221 | 165.5° | 90.5° |
| C21 | C34 | C22 | H222 | 45.5° | 29.4° |
| C21 | C34 | C22 | H223 | 74.5° | 149.4° |
| H21 | C21 | C34 | C22 | 0.2° | 0.3° |
| C34 | C22 | H221 | H222 | 120.0° | 120.0° |
| C34 | C22 | H221 | H223 | 120.0° | 120.1° |
| C34 | C22 | H222 | H223 | 120.0° | 120.1° |
| H221 | C22 | H222 | H223 | 120.0° | 120.0° |
| O1 | C24 | N4 | HN4 | 159.1° | 174.4° |
| C4 | C5 | C29 | C6 | 179.5° | 180.0° |
| C4 | C5 | C6 | C30 | 0.7° | 0.0° |
| C4 | C5 | C6 | C1 | 178.9° | 180.0° |
| C4 | C5 | C29 | C28 | 0.2° | 0.0° |
| C4 | C5 | C29 | H29 | 179.8° | 179.9° |
| C29 | C5 | C6 | C30 | 179.9° | 180.0° |
| C29 | C5 | C6 | C1 | 0.5° | 0.0° |
| C5 | C29 | C28 | H29 | 180.0° | 179.9° |
| C5 | C29 | C28 | H28 | 179.8° | 180.0° |
| C5 | C6 | C30 | C1 | 179.7° | 180.0° |
| C6 | C5 | C29 | C28 | 179.7° | 180.0° |
| C6 | C5 | C29 | H29 | 0.3° | 0.1° |
| C5 | C6 | C30 | H30 | 179.7° | 180.0° |
| C5 | C6 | C1 | C37 | 62.7° | 50.0° |
| C30 | C6 | C1 | C37 | 116.9° | 130.0° |
| C1 | C6 | C30 | H30 | 0.6° | 0.0° |
| C6 | C1 | C37 | N2 | 178.6° | 180.0° |
| C6 | C1 | C37 | H37 | 1.4° | 0.0° |
| H28 | C28 | C29 | H29 | 0.2° | 0.1° |
| C1 | C37 | N2 | H37 | 180.0° | 180.0° |
| C1 | C37 | N2 | C36 | 0.2° | 0.0° |
| C37 | N2 | C36 | C23 | 178.5° | 180.0° |
| H37 | C37 | N2 | C36 | 179.8° | 179.9° |
| N2 | C36 | C23 | N3 | 94.3° | 85.1° |
| N2 | C36 | C23 | H231 | 145.7° | 34.9° |
| N2 | C36 | C23 | H232 | 24.2° | 155.0° |
| C36 | C23 | N3 | H231 | 120.0° | 120.0° |
| C36 | C23 | N3 | H232 | 118.4° | 120.0° |
| C36 | C23 | H231 | H232 | 118.5° | 120.0° |
| C36 | C23 | N3 | C31 | 31.4° | 66.4° |
| N3 | C23 | H231 | H232 | 118.5° | 120.0° |
| C23 | N3 | C31 | C32 | 179.7° | 177.6° |
| C23 | N3 | C31 | H311 | 60.3° | 62.4° |
| C23 | N3 | C31 | H312 | 60.1° | 57.7° |
| H231 | C23 | N3 | C31 | 151.4° | 173.6° |
| H232 | C23 | N3 | C31 | 87.1° | 53.6° |
| N3 | C31 | C32 | H311 | 120.0° | 120.0° |
| N3 | C31 | C32 | H312 | 119.6° | 119.9° |
| N3 | C31 | H311 | H312 | 119.6° | 120.1° |
| N3 | C31 | C32 | O2 | 59.4° | 56.8° |
| N3 | C31 | C32 | H321 | 179.5° | 176.8° |
| N3 | C31 | C32 | H322 | 61.3° | 63.1° |
| C32 | C31 | H311 | H312 | 119.6° | 120.1° |
| C31 | C32 | O2 | H321 | 120.0° | 120.0° |
| C31 | C32 | O2 | H322 | 120.7° | 119.9° |
| C31 | C32 | H321 | H322 | 120.8° | 120.0° |
| C31 | C32 | O2 | C33 | 60.3° | 58.6° |
| H311 | C31 | C32 | O2 | 60.5° | 63.1° |
| H311 | C31 | C32 | H321 | 59.5° | 56.9° |
| H311 | C31 | C32 | H322 | 178.7° | 177.0° |
| H312 | C31 | C32 | O2 | 179.0° | 176.8° |
| H312 | C31 | C32 | H321 | 61.0° | 63.3° |
| H312 | C31 | C32 | H322 | 58.3° | 56.8° |
| O2 | C32 | H321 | H322 | 120.8° | 120.2° |
| C32 | O2 | C33 | H331 | 60.3° | 61.3° |
| C32 | O2 | C33 | H332 | 179.5° | 178.6° |
| H321 | C32 | O2 | C33 | 179.7° | 178.6° |
| H322 | C32 | O2 | C33 | 60.5° | 61.2° |
| O2 | C33 | H331 | H332 | 119.8° | 120.1° |
