515
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.41Å | 1.45Å | Aromatic |
| C1 | C6 | sing | 1.42Å | 1.46Å | Aromatic |
| C1 | C16 | sing | 1.40Å | 1.44Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.45Å | Aromatic |
| C2 | N4 | sing | 1.40Å | 1.41Å | |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | H31 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.36Å | 1.42Å | Aromatic |
| C4 | H41 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.40Å | 1.47Å | Aromatic |
| C5 | C7 | sing | 1.51Å | 1.53Å | |
| C6 | C19 | sing | 1.41Å | 1.44Å | Aromatic |
| N4 | C8 | sing | 1.35Å | 1.43Å | |
| N4 | C26 | sing | 1.39Å | 1.45Å | |
| C9 | N1 | sing | 1.46Å | 1.47Å | |
| C9 | C11 | sing | 1.51Å | 1.56Å | |
| C9 | C7 | sing | 1.53Å | 1.57Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| N1 | C10 | sing | 1.35Å | 1.36Å | |
| N1 | H1 | sing | 0.97Å | 1.02Å | |
| C10 | O4 | doub | 1.21Å | 1.23Å | |
| C10 | C23 | sing | 1.51Å | 1.53Å | |
| C11 | N2 | sing | 1.35Å | 1.37Å | |
| C11 | O8 | doub | 1.21Å | 1.23Å | |
| N2 | C12 | sing | 1.46Å | 1.48Å | |
| N2 | H2 | sing | 0.97Å | 1.02Å | |
| C12 | C13 | sing | 1.53Å | 1.57Å | |
| C12 | H121 | sing | 1.09Å | 1.12Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| C13 | H131 | sing | 1.09Å | 1.12Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C14 | O1 | sing | 1.43Å | 1.45Å | |
| C14 | C20 | sing | 1.53Å | 1.55Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C15 | C20 | sing | 1.53Å | 1.57Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| O1 | C32 | sing | 1.36Å | 1.44Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C23 | H233 | sing | 1.09Å | 1.11Å | |
| C8 | O5 | doub | 1.21Å | 1.23Å | |
| C8 | C24 | sing | 1.49Å | 1.54Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C24 | O6 | doub | 1.21Å | 1.21Å | |
| C24 | O2 | sing | 1.35Å | 1.34Å | |
| C25 | C26 | doub | 1.40Å | 1.47Å | Aromatic |
| C25 | C30 | sing | 1.40Å | 1.43Å | Aromatic |
| C25 | C31 | sing | 1.47Å | 1.49Å | |
| C26 | C27 | sing | 1.39Å | 1.44Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | H271 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | H281 | sing | 1.08Å | 1.10Å | |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | H291 | sing | 1.08Å | 1.10Å | |
| C30 | H301 | sing | 1.08Å | 1.10Å | |
| O9 | C31 | doub | 1.21Å | 1.20Å | |
| O10 | C31 | sing | 1.35Å | 1.35Å | |
| O10 | H10 | sing | 0.97Å | 0.95Å | |
| C32 | C33 | doub | 1.36Å | 1.44Å | Aromatic |
| C32 | C37 | sing | 1.41Å | 1.45Å | Aromatic |
| C33 | C34 | sing | 1.40Å | 1.42Å | Aromatic |
| C33 | H331 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | doub | 1.42Å | 1.45Å | Aromatic |
| C34 | C41 | sing | 1.41Å | 1.43Å | Aromatic |
| C35 | C36 | sing | 1.40Å | 1.43Å | Aromatic |
| C35 | C44 | sing | 1.41Å | 1.44Å | Aromatic |
| C36 | C37 | doub | 1.39Å | 1.44Å | Aromatic |
| C36 | H361 | sing | 1.08Å | 1.10Å | |
| C37 | C38 | sing | 1.47Å | 1.46Å | |
| C38 | O11 | sing | 1.35Å | 1.34Å | |
| C38 | O12 | doub | 1.21Å | 1.19Å | |
| O11 | H11 | sing | 0.97Å | 0.95Å | |
| C16 | C17 | doub | 1.36Å | 1.43Å | Aromatic |
| C16 | H161 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | sing | 1.39Å | 1.42Å | Aromatic |
| C17 | H171 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | doub | 1.36Å | 1.43Å | Aromatic |
| C18 | H181 | sing | 1.08Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| O2 | H21 | sing | 0.97Å | 0.95Å | |
| C41 | C42 | doub | 1.36Å | 1.43Å | Aromatic |
| C41 | H411 | sing | 1.08Å | 1.10Å | |
| C42 | C43 | sing | 1.39Å | 1.43Å | Aromatic |
| C42 | H421 | sing | 1.08Å | 1.10Å | |
| C43 | C44 | doub | 1.36Å | 1.43Å | Aromatic |
| C43 | H431 | sing | 1.08Å | 1.10Å | |
| C44 | H441 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.5° | 119.3° |
| C2 | C1 | C16 | 120.8° | 121.3° |
| C1 | C2 | C3 | 118.3° | 119.4° |
| C1 | C2 | N4 | 125.2° | 120.3° |
| C6 | C1 | C16 | 119.7° | 119.4° |
| C1 | C6 | C5 | 119.9° | 119.5° |
| C1 | C6 | C19 | 118.3° | 119.3° |
| C1 | C16 | C17 | 120.4° | 119.7° |
| C1 | C16 | H161 | 120.3° | 120.2° |
| C3 | C2 | N4 | 116.4° | 120.3° |
| C2 | C3 | C4 | 122.4° | 120.7° |
| C2 | C3 | H31 | 120.7° | 119.6° |
| C2 | N4 | C8 | 119.3° | 120.0° |
| C2 | N4 | C26 | 118.2° | 120.0° |
| C4 | C3 | H31 | 116.9° | 119.6° |
| C3 | C4 | C5 | 120.9° | 121.1° |
| C3 | C4 | H41 | 118.8° | 119.4° |
| C5 | C4 | H41 | 120.3° | 119.5° |
| C4 | C5 | C6 | 119.0° | 119.9° |
| C4 | C5 | C7 | 117.7° | 120.0° |
| C6 | C5 | C7 | 123.3° | 120.1° |
| C5 | C6 | C19 | 121.8° | 121.1° |
| C5 | C7 | C9 | 112.5° | 109.5° |
| C5 | C7 | H71 | 111.1° | 109.5° |
| C5 | C7 | H72 | 111.1° | 109.5° |
| C6 | C19 | C18 | 121.1° | 119.6° |
| C6 | C19 | H191 | 120.0° | 120.2° |
| C8 | N4 | C26 | 122.3° | 120.0° |
| N4 | C8 | O5 | 123.4° | 120.0° |
| N4 | C8 | C24 | 121.9° | 120.0° |
| N4 | C26 | C25 | 127.5° | 120.2° |
| N4 | C26 | C27 | 117.0° | 120.2° |
| N1 | C9 | C11 | 112.9° | 109.5° |
| N1 | C9 | C7 | 108.7° | 109.5° |
| N1 | C9 | H91 | 108.5° | 109.5° |
| C9 | N1 | C10 | 120.3° | 120.0° |
| C9 | N1 | H1 | 123.6° | 120.0° |
| C11 | C9 | C7 | 111.8° | 109.5° |
| C11 | C9 | H91 | 105.1° | 109.5° |
| C9 | C11 | N2 | 116.7° | 120.0° |
| C9 | C11 | O8 | 119.1° | 120.0° |
| C7 | C9 | H91 | 109.7° | 109.5° |
| C9 | C7 | H71 | 111.0° | 109.5° |
| C9 | C7 | H72 | 111.1° | 109.5° |
| C10 | N1 | H1 | 116.1° | 120.0° |
| N1 | C10 | O4 | 125.5° | 120.0° |
| N1 | C10 | C23 | 113.5° | 120.0° |
| O4 | C10 | C23 | 121.0° | 120.0° |
| C10 | C23 | H231 | 113.5° | 109.5° |
| C10 | C23 | H232 | 110.7° | 109.5° |
| C10 | C23 | H233 | 110.7° | 109.5° |
| N2 | C11 | O8 | 124.2° | 120.0° |
| C11 | N2 | C12 | 121.5° | 120.0° |
| C11 | N2 | H2 | 115.3° | 120.0° |
| C12 | N2 | H2 | 123.1° | 120.0° |
| N2 | C12 | C13 | 116.2° | 109.5° |
| N2 | C12 | H121 | 109.8° | 109.5° |
| N2 | C12 | H122 | 109.8° | 109.5° |
| C13 | C12 | H121 | 109.7° | 109.5° |
| C13 | C12 | H122 | 109.8° | 109.5° |
| C12 | C13 | C15 | 117.4° | 109.5° |
| C12 | C13 | H131 | 109.3° | 109.4° |
| C12 | C13 | H132 | 109.3° | 109.5° |
| H121 | C12 | H122 | 100.4° | 109.4° |
| C15 | C13 | H131 | 109.4° | 109.5° |
| C15 | C13 | H132 | 109.4° | 109.5° |
| C13 | C15 | C20 | 120.3° | 109.5° |
| C13 | C15 | H151 | 108.3° | 109.5° |
| C13 | C15 | H152 | 108.3° | 109.4° |
| H131 | C13 | H132 | 100.7° | 109.5° |
| O1 | C14 | C20 | 115.0° | 109.5° |
| O1 | C14 | H141 | 110.1° | 109.5° |
| O1 | C14 | H142 | 110.2° | 109.4° |
| C14 | O1 | C32 | 119.9° | 106.8° |
| C20 | C14 | H141 | 110.2° | 109.5° |
| C20 | C14 | H142 | 110.2° | 109.5° |
| C14 | C20 | C15 | 123.9° | 109.5° |
| C14 | C20 | H201 | 107.1° | 109.5° |
| C14 | C20 | H202 | 107.1° | 109.5° |
| H141 | C14 | H142 | 100.1° | 109.5° |
| C20 | C15 | H151 | 108.4° | 109.5° |
| C20 | C15 | H152 | 108.4° | 109.5° |
| C15 | C20 | H201 | 107.1° | 109.5° |
| C15 | C20 | H202 | 107.1° | 109.6° |
| H151 | C15 | H152 | 101.6° | 109.5° |
| O1 | C32 | C33 | 122.2° | 119.6° |
| O1 | C32 | C37 | 120.6° | 119.6° |
| H231 | C23 | H232 | 110.7° | 109.5° |
| H231 | C23 | H233 | 110.7° | 109.5° |
| H232 | C23 | H233 | 99.6° | 109.4° |
| O5 | C8 | C24 | 114.7° | 120.0° |
| C8 | C24 | O6 | 122.8° | 120.0° |
| C8 | C24 | O2 | 114.7° | 120.0° |
| H71 | C7 | H72 | 99.3° | 109.4° |
| O6 | C24 | O2 | 122.4° | 120.0° |
| C24 | O2 | H21 | 114.8° | 120.0° |
| C26 | C25 | C30 | 119.3° | 119.6° |
| C26 | C25 | C31 | 127.4° | 120.2° |
| C25 | C26 | C27 | 115.5° | 119.6° |
| C30 | C25 | C31 | 113.4° | 120.2° |
| C25 | C30 | C29 | 122.3° | 119.9° |
| C25 | C30 | H301 | 120.0° | 120.0° |
| C25 | C31 | O9 | 119.8° | 120.0° |
| C25 | C31 | O10 | 119.9° | 120.0° |
| C26 | C27 | C28 | 123.4° | 120.1° |
| C26 | C27 | H271 | 119.9° | 119.9° |
| C28 | C27 | H271 | 116.8° | 120.0° |
| C27 | C28 | C29 | 120.1° | 120.4° |
| C27 | C28 | H281 | 120.1° | 119.7° |
| C29 | C28 | H281 | 119.8° | 119.9° |
| C28 | C29 | C30 | 119.5° | 120.4° |
| C28 | C29 | H291 | 120.2° | 119.8° |
| C30 | C29 | H291 | 120.3° | 119.8° |
| C29 | C30 | H301 | 117.7° | 120.1° |
| O9 | C31 | O10 | 120.3° | 120.0° |
| C31 | O10 | H10 | 119.8° | 120.0° |
| C33 | C32 | C37 | 117.2° | 120.7° |
| C32 | C33 | C34 | 121.8° | 120.0° |
| C32 | C33 | H331 | 119.9° | 120.0° |
| C32 | C37 | C36 | 121.4° | 120.4° |
| C32 | C37 | C38 | 121.3° | 119.8° |
| C34 | C33 | H331 | 118.3° | 120.0° |
| C33 | C34 | C35 | 120.4° | 119.7° |
| C33 | C34 | C41 | 119.1° | 121.0° |
| C35 | C34 | C41 | 120.5° | 119.3° |
| C34 | C35 | C36 | 119.0° | 119.7° |
| C34 | C35 | C44 | 119.2° | 119.3° |
| C34 | C41 | C42 | 119.7° | 119.7° |
| C34 | C41 | H411 | 120.4° | 120.1° |
| C36 | C35 | C44 | 121.8° | 121.0° |
| C35 | C36 | C37 | 120.3° | 119.5° |
| C35 | C36 | H361 | 119.7° | 120.2° |
| C35 | C44 | C43 | 119.6° | 119.7° |
| C35 | C44 | H441 | 120.6° | 120.1° |
| C37 | C36 | H361 | 120.0° | 120.3° |
| C36 | C37 | C38 | 117.2° | 119.8° |
| C37 | C38 | O11 | 116.1° | 120.0° |
| C37 | C38 | O12 | 122.0° | 120.0° |
| O11 | C38 | O12 | 122.0° | 120.0° |
| C38 | O11 | H11 | 116.1° | 120.0° |
| C17 | C16 | H161 | 119.3° | 120.1° |
| C16 | C17 | C18 | 120.2° | 120.9° |
| C16 | C17 | H171 | 120.0° | 119.6° |
| C18 | C17 | H171 | 119.8° | 119.5° |
| C17 | C18 | C19 | 120.2° | 121.0° |
| C17 | C18 | H181 | 119.8° | 119.5° |
| C19 | C18 | H181 | 120.0° | 119.5° |
| C18 | C19 | H191 | 118.9° | 120.2° |
| H201 | C20 | H202 | 102.7° | 109.4° |
| C42 | C41 | H411 | 120.0° | 120.2° |
| C41 | C42 | C43 | 120.4° | 121.0° |
| C41 | C42 | H421 | 119.8° | 119.5° |
| C43 | C42 | H421 | 119.9° | 119.5° |
| C42 | C43 | C44 | 120.7° | 121.0° |
| C42 | C43 | H431 | 119.6° | 119.5° |
| C44 | C43 | H431 | 119.7° | 119.5° |
| C43 | C44 | H441 | 119.8° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C16 | 179.7° | 179.7° |
| C1 | C2 | C3 | N4 | 179.7° | 179.9° |
| C1 | C2 | C3 | C4 | 0.2° | 0.1° |
| C1 | C2 | C3 | H31 | 179.9° | 179.9° |
| C2 | C1 | C6 | C5 | 0.0° | 0.5° |
| C2 | C1 | C6 | C19 | 179.8° | 179.7° |
| C1 | C2 | N4 | C8 | 106.7° | 84.1° |
| C1 | C2 | N4 | C26 | 78.5° | 95.9° |
| C2 | C1 | C16 | C17 | 179.9° | 180.0° |
| C2 | C1 | C16 | H161 | 0.0° | 0.1° |
| C6 | C1 | C2 | C3 | 0.2° | 0.2° |
| C6 | C1 | C2 | N4 | 179.4° | 179.7° |
| C1 | C6 | C5 | C4 | 0.2° | 0.5° |
| C1 | C6 | C5 | C19 | 179.8° | 179.2° |
| C1 | C6 | C5 | C7 | 179.1° | 179.8° |
| C6 | C1 | C16 | C17 | 0.2° | 0.3° |
| C6 | C1 | C16 | H161 | 179.8° | 179.8° |
| C1 | C6 | C19 | C18 | 0.0° | 0.6° |
| C1 | C6 | C19 | H191 | 179.9° | 179.7° |
| C16 | C1 | C2 | C3 | 179.9° | 179.9° |
| C16 | C1 | C2 | N4 | 0.3° | 0.0° |
| C16 | C1 | C6 | C5 | 179.8° | 179.8° |
| C16 | C1 | C6 | C19 | 0.1° | 0.5° |
| C1 | C16 | C17 | H161 | 179.9° | 179.9° |
| C1 | C16 | C17 | C18 | 0.2° | 0.1° |
| C1 | C16 | C17 | H171 | 179.8° | 179.9° |
| C2 | C3 | C4 | H31 | 179.9° | 179.9° |
| C2 | C3 | C4 | C5 | 0.1° | 0.0° |
| C2 | C3 | C4 | H41 | 180.0° | 180.0° |
| C3 | C2 | N4 | C8 | 73.6° | 95.9° |
| C3 | C2 | N4 | C26 | 101.1° | 84.2° |
| N4 | C2 | C3 | C4 | 179.5° | 180.0° |
| N4 | C2 | C3 | H31 | 0.4° | 0.1° |
| C2 | N4 | C8 | C26 | 174.5° | 179.9° |
| C2 | N4 | C8 | O5 | 173.3° | 180.0° |
| C2 | N4 | C8 | C24 | 6.9° | 0.0° |
| C2 | N4 | C26 | C25 | 132.1° | 97.7° |
| C2 | N4 | C26 | C27 | 47.7° | 82.0° |
| C3 | C4 | C5 | H41 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.3° | 0.3° |
| C3 | C4 | C5 | C7 | 179.0° | 180.0° |
| H31 | C3 | C4 | C5 | 179.8° | 179.9° |
| H31 | C3 | C4 | H41 | 0.1° | 0.1° |
| C4 | C5 | C6 | C7 | 179.3° | 179.7° |
| C4 | C5 | C6 | C19 | 179.9° | 179.8° |
| C4 | C5 | C7 | C9 | 101.9° | 90.0° |
| C4 | C5 | C7 | H71 | 23.3° | 30.0° |
| C4 | C5 | C7 | H72 | 132.9° | 150.0° |
| H41 | C4 | C5 | C6 | 179.8° | 179.7° |
| H41 | C4 | C5 | C7 | 0.9° | 0.0° |
| C6 | C5 | C7 | C9 | 77.4° | 90.3° |
| C6 | C5 | C7 | H71 | 157.4° | 149.7° |
| C6 | C5 | C7 | H72 | 47.8° | 29.8° |
| C5 | C6 | C19 | C18 | 179.9° | 179.8° |
| C5 | C6 | C19 | H191 | 0.1° | 0.5° |
| C7 | C5 | C6 | C19 | 0.8° | 0.5° |
| C5 | C7 | C9 | N1 | 178.7° | 60.0° |
| C5 | C7 | C9 | C11 | 55.9° | NaN° |
| C5 | C7 | C9 | H71 | 125.3° | 120.0° |
| C5 | C7 | C9 | H72 | 125.3° | 120.1° |
| C5 | C7 | C9 | H91 | 60.3° | 60.0° |
| C5 | C7 | H71 | H72 | 117.0° | 120.0° |
| C6 | C19 | C18 | C17 | 0.0° | 0.3° |
| C6 | C19 | C18 | H191 | 179.9° | 179.7° |
| C6 | C19 | C18 | H181 | 180.0° | 179.8° |
| N4 | C8 | O5 | C24 | 179.8° | 180.0° |
| N4 | C8 | C24 | O6 | 75.5° | 0.0° |
| N4 | C8 | C24 | O2 | 103.8° | 180.0° |
| C8 | N4 | C26 | C25 | 53.3° | 82.3° |
| C8 | N4 | C26 | C27 | 126.9° | 97.9° |
| C26 | N4 | C8 | O5 | 1.2° | 0.0° |
| C26 | N4 | C8 | C24 | 178.5° | 180.0° |
| N4 | C26 | C25 | C27 | 179.8° | 179.7° |
| N4 | C26 | C25 | C30 | 179.7° | 179.7° |
| N4 | C26 | C25 | C31 | 0.4° | 0.3° |
| N4 | C26 | C27 | C28 | 179.8° | 180.0° |
| N4 | C26 | C27 | H271 | 0.1° | 0.1° |
| N1 | C9 | C11 | C7 | 123.0° | 120.0° |
| N1 | C9 | C11 | H91 | 118.1° | 120.0° |
| N1 | C9 | C7 | H91 | 118.5° | 120.0° |
| C9 | N1 | C10 | H1 | 180.0° | 180.0° |
| C9 | N1 | C10 | O4 | 0.0° | 0.0° |
| C9 | N1 | C10 | C23 | 180.0° | 180.0° |
| N1 | C9 | C11 | N2 | 30.4° | 150.0° |
| N1 | C9 | C11 | O8 | 150.2° | 29.9° |
| N1 | C9 | C7 | H71 | 56.0° | 60.0° |
| N1 | C9 | C7 | H72 | 53.5° | 179.9° |
| C11 | C9 | C7 | H91 | 116.2° | 120.0° |
| C11 | C9 | N1 | C10 | 117.8° | 60.0° |
| C11 | C9 | N1 | H1 | 62.2° | 120.0° |
| C9 | C11 | N2 | O8 | 179.4° | 180.0° |
| C9 | C11 | N2 | C12 | 179.4° | 180.0° |
| C9 | C11 | N2 | H2 | 0.6° | 0.1° |
| C11 | C9 | C7 | H71 | 69.3° | 60.0° |
| C11 | C9 | C7 | H72 | 178.8° | 59.9° |
| C7 | C9 | N1 | C10 | 117.5° | 60.0° |
| C7 | C9 | N1 | H1 | 62.5° | 120.0° |
| C7 | C9 | C11 | N2 | 92.6° | 90.0° |
| C7 | C9 | C11 | O8 | 86.8° | 90.1° |
| C9 | C7 | H71 | H72 | 117.0° | 120.0° |
| H91 | C9 | N1 | C10 | 1.7° | 180.0° |
| H91 | C9 | N1 | H1 | 178.3° | 0.0° |
| H91 | C9 | C11 | N2 | 148.4° | 30.0° |
| H91 | C9 | C11 | O8 | 32.1° | 149.9° |
| H91 | C9 | C7 | H71 | 174.5° | 180.0° |
| H91 | C9 | C7 | H72 | 65.0° | 60.1° |
| N1 | C10 | O4 | C23 | 180.0° | 180.0° |
| N1 | C10 | C23 | H231 | 180.0° | 180.0° |
| N1 | C10 | C23 | H232 | 54.7° | 60.0° |
| N1 | C10 | C23 | H233 | 54.7° | 59.9° |
| H1 | N1 | C10 | O4 | 180.0° | 180.0° |
| H1 | N1 | C10 | C23 | 0.0° | 0.0° |
| O4 | C10 | C23 | H231 | 0.1° | 0.1° |
| O4 | C10 | C23 | H232 | 125.3° | 120.0° |
| O4 | C10 | C23 | H233 | 125.2° | 120.0° |
| C10 | C23 | H231 | H232 | 125.2° | 120.0° |
| C10 | C23 | H231 | H233 | 125.3° | 120.1° |
| C10 | C23 | H232 | H233 | 116.6° | 120.0° |
| C11 | N2 | C12 | H2 | 180.0° | 179.9° |
| C11 | N2 | C12 | C13 | 138.5° | 180.0° |
| C11 | N2 | C12 | H121 | 96.2° | 60.0° |
| C11 | N2 | C12 | H122 | 13.2° | 59.9° |
| O8 | C11 | N2 | C12 | 0.0° | 0.0° |
| O8 | C11 | N2 | H2 | 180.0° | 179.9° |
| N2 | C12 | C13 | H121 | 125.3° | 120.0° |
| N2 | C12 | C13 | H122 | 125.3° | 120.1° |
| N2 | C12 | H121 | H122 | 115.6° | 120.0° |
| N2 | C12 | C13 | C15 | 66.3° | 180.0° |
| N2 | C12 | C13 | H131 | 59.0° | 60.1° |
| N2 | C12 | C13 | H132 | 168.4° | 60.0° |
| H2 | N2 | C12 | C13 | 41.5° | 0.1° |
| H2 | N2 | C12 | H121 | 83.8° | 120.1° |
| H2 | N2 | C12 | H122 | 166.8° | 120.0° |
| C13 | C12 | H121 | H122 | 115.5° | 120.0° |
| C12 | C13 | C15 | H131 | 125.3° | 119.9° |
| C12 | C13 | C15 | H132 | 125.3° | 120.0° |
| C12 | C13 | H131 | H132 | 115.0° | 120.0° |
| C12 | C13 | C15 | C20 | 133.4° | 180.0° |
| C12 | C13 | C15 | H151 | 101.3° | 60.0° |
| C12 | C13 | C15 | H152 | 8.2° | 60.0° |
| H121 | C12 | C13 | C15 | 168.4° | 60.0° |
| H121 | C12 | C13 | H131 | 66.3° | 179.9° |
| H121 | C12 | C13 | H132 | 43.1° | 60.0° |
| H122 | C12 | C13 | C15 | 59.0° | 60.0° |
| H122 | C12 | C13 | H131 | 175.7° | 60.0° |
| H122 | C12 | C13 | H132 | 66.3° | 180.0° |
| C15 | C13 | H131 | H132 | 115.2° | 120.0° |
| C13 | C15 | C20 | C14 | 83.1° | 180.0° |
| C13 | C15 | C20 | H151 | 125.2° | 120.0° |
| C13 | C15 | C20 | H152 | 125.2° | 120.0° |
| C13 | C15 | H151 | H152 | 114.0° | 120.0° |
| C13 | C15 | C20 | H201 | 42.1° | 60.0° |
| C13 | C15 | C20 | H202 | 151.7° | 60.0° |
| H131 | C13 | C15 | C20 | 8.1° | 60.1° |
| H131 | C13 | C15 | H151 | 133.4° | 179.9° |
| H131 | C13 | C15 | H152 | 117.1° | 59.9° |
| H132 | C13 | C15 | C20 | 101.3° | 60.0° |
| H132 | C13 | C15 | H151 | 24.0° | 60.0° |
| H132 | C13 | C15 | H152 | 133.4° | 180.0° |
| O1 | C14 | C20 | H141 | 125.2° | 120.0° |
| O1 | C14 | C20 | H142 | 125.3° | 119.9° |
| O1 | C14 | H141 | H142 | 116.0° | 120.0° |
| O1 | C14 | C20 | C15 | 11.8° | 179.9° |
| C14 | O1 | C32 | C33 | 6.9° | 0.1° |
| C14 | O1 | C32 | C37 | 173.1° | 179.7° |
| O1 | C14 | C20 | H201 | 137.0° | 60.0° |
| O1 | C14 | C20 | H202 | 113.5° | 60.0° |
| C20 | C14 | H141 | H142 | 116.0° | 120.0° |
| C14 | C20 | C15 | H201 | 125.2° | 120.0° |
| C14 | C20 | C15 | H202 | 125.2° | 120.0° |
| C14 | C20 | C15 | H151 | 42.2° | 60.0° |
| C14 | C20 | C15 | H152 | 151.7° | 60.0° |
| C20 | C14 | O1 | C32 | 174.8° | 180.0° |
| C14 | C20 | H201 | H202 | 112.6° | 120.0° |
| H141 | C14 | C20 | C15 | 113.4° | 60.0° |
| H141 | C14 | O1 | C32 | 49.5° | 60.0° |
| H141 | C14 | C20 | H201 | 11.8° | 180.0° |
| H141 | C14 | C20 | H202 | 121.3° | 60.1° |
| H142 | C14 | C20 | C15 | 137.0° | 60.0° |
| H142 | C14 | O1 | C32 | 59.9° | 60.1° |
| H142 | C14 | C20 | H201 | 97.7° | 59.9° |
| H142 | C14 | C20 | H202 | 11.8° | 179.9° |
| C20 | C15 | H151 | H152 | 114.0° | 120.1° |
| C15 | C20 | H201 | H202 | 112.6° | 120.1° |
| H151 | C15 | C20 | H201 | 167.4° | 180.0° |
| H151 | C15 | C20 | H202 | 83.1° | 60.0° |
| H152 | C15 | C20 | H201 | 83.1° | 59.9° |
| H152 | C15 | C20 | H202 | 26.4° | 179.9° |
| O1 | C32 | C33 | C37 | 179.9° | 179.6° |
| O1 | C32 | C33 | C34 | 180.0° | 179.9° |
| O1 | C32 | C33 | H331 | 0.0° | 0.1° |
| O1 | C32 | C37 | C36 | 179.8° | 179.7° |
| O1 | C32 | C37 | C38 | 0.3° | 0.4° |
| H231 | C23 | H232 | H233 | 116.6° | 120.0° |
| O5 | C8 | C24 | O6 | 104.3° | 180.0° |
| O5 | C8 | C24 | O2 | 76.4° | 0.1° |
| C8 | C24 | O6 | O2 | 179.3° | 180.0° |
| C8 | C24 | O2 | H21 | 180.0° | 180.0° |
| O6 | C24 | O2 | H21 | 0.6° | 0.0° |
| C26 | C25 | C30 | C31 | 179.9° | 179.4° |
| C25 | C26 | C27 | C28 | 0.0° | 0.2° |
| C25 | C26 | C27 | H271 | 180.0° | 179.8° |
| C26 | C25 | C30 | C29 | 0.1° | 0.6° |
| C26 | C25 | C30 | H301 | 179.9° | 179.7° |
| C26 | C25 | C31 | O9 | 146.2° | 5.5° |
| C26 | C25 | C31 | O10 | 33.1° | 174.4° |
| C30 | C25 | C26 | C27 | 0.1° | 0.6° |
| C25 | C30 | C29 | C28 | 0.1° | 0.3° |
| C25 | C30 | C29 | H301 | 180.0° | 179.7° |
| C25 | C30 | C29 | H291 | 179.9° | 179.7° |
| C30 | C25 | C31 | O9 | 33.7° | 173.9° |
| C30 | C25 | C31 | O10 | 147.0° | 6.2° |
| C31 | C25 | C26 | C27 | 179.8° | 180.0° |
| C31 | C25 | C30 | C29 | 179.8° | 180.0° |
| C31 | C25 | C30 | H301 | 0.2° | 0.3° |
| C25 | C31 | O9 | O10 | 179.3° | 179.9° |
| C25 | C31 | O10 | H10 | 179.9° | 180.0° |
| C26 | C27 | C28 | H271 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.2° | 0.0° |
| C26 | C27 | C28 | H281 | 179.9° | 180.0° |
| C27 | C28 | C29 | H281 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.2° | 0.0° |
| C27 | C28 | C29 | H291 | 179.8° | 180.0° |
| H271 | C27 | C28 | C29 | 179.8° | 179.9° |
| H271 | C27 | C28 | H281 | 0.2° | 0.0° |
| C28 | C29 | C30 | H291 | 180.0° | 180.0° |
| C28 | C29 | C30 | H301 | 179.9° | 180.0° |
| H281 | C28 | C29 | C30 | 179.8° | 180.0° |
| H281 | C28 | C29 | H291 | 0.2° | 0.0° |
| H291 | C29 | C30 | H301 | 0.1° | 0.0° |
| O9 | C31 | O10 | H10 | 0.8° | 0.0° |
| C32 | C33 | C34 | H331 | 179.9° | 179.9° |
| C32 | C33 | C34 | C35 | 0.1° | 0.0° |
| C32 | C33 | C34 | C41 | 179.7° | 180.0° |
| C33 | C32 | C37 | C36 | 0.3° | 0.7° |
| C33 | C32 | C37 | C38 | 179.7° | 180.0° |
| C37 | C32 | C33 | C34 | 0.1° | 0.3° |
| C37 | C32 | C33 | H331 | 180.0° | 179.8° |
| C32 | C37 | C36 | C35 | 0.3° | 0.7° |
| C32 | C37 | C36 | C38 | 180.0° | 179.3° |
| C32 | C37 | C36 | H361 | 179.7° | 179.7° |
| C32 | C37 | C38 | O11 | 111.5° | 179.3° |
| C32 | C37 | C38 | O12 | 68.6° | 0.7° |
| C33 | C34 | C35 | C41 | 179.8° | 180.0° |
| C33 | C34 | C35 | C36 | 0.2° | 0.0° |
| C33 | C34 | C35 | C44 | 180.0° | 180.0° |
| C33 | C34 | C41 | C42 | 179.8° | 180.0° |
| C33 | C34 | C41 | H411 | 0.2° | 0.0° |
| H331 | C33 | C34 | C35 | 179.8° | 179.9° |
| H331 | C33 | C34 | C41 | 0.4° | 0.0° |
| C34 | C35 | C36 | C44 | 179.9° | 179.9° |
| C34 | C35 | C36 | C37 | 0.0° | 0.4° |
| C34 | C35 | C36 | H361 | 180.0° | 180.0° |
| C35 | C34 | C41 | C42 | 0.0° | 0.0° |
| C35 | C34 | C41 | H411 | 180.0° | 179.9° |
| C34 | C35 | C44 | C43 | 0.2° | 0.0° |
| C34 | C35 | C44 | H441 | 179.8° | 180.0° |
| C41 | C34 | C35 | C36 | 179.6° | 179.9° |
| C41 | C34 | C35 | C44 | 0.2° | 0.0° |
| C34 | C41 | C42 | H411 | 180.0° | 179.9° |
| C34 | C41 | C42 | C43 | 0.2° | 0.0° |
| C34 | C41 | C42 | H421 | 179.9° | 180.0° |
| C35 | C36 | C37 | H361 | 180.0° | 179.6° |
| C35 | C36 | C37 | C38 | 179.7° | 180.0° |
| C36 | C35 | C44 | C43 | 179.6° | 179.9° |
| C36 | C35 | C44 | H441 | 0.4° | 0.1° |
| C44 | C35 | C36 | C37 | 179.8° | 179.7° |
| C44 | C35 | C36 | H361 | 0.2° | 0.1° |
| C35 | C44 | C43 | C42 | 0.1° | 0.0° |
| C35 | C44 | C43 | H441 | 180.0° | 179.9° |
| C35 | C44 | C43 | H431 | 180.0° | 180.0° |
| C36 | C37 | C38 | O11 | 68.4° | 0.0° |
| C36 | C37 | C38 | O12 | 111.4° | 180.0° |
| H361 | C36 | C37 | C38 | 0.3° | 0.4° |
| C37 | C38 | O11 | O12 | 179.8° | 180.0° |
| C37 | C38 | O11 | H11 | 180.0° | 179.9° |
| O12 | C38 | O11 | H11 | 0.1° | 0.0° |
| C16 | C17 | C18 | H171 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.1° |
| C16 | C17 | C18 | H181 | 179.9° | 180.0° |
| H161 | C16 | C17 | C18 | 179.8° | 180.0° |
| H161 | C16 | C17 | H171 | 0.2° | 0.1° |
| C17 | C18 | C19 | H181 | 179.9° | 179.9° |
| C17 | C18 | C19 | H191 | 179.9° | 180.0° |
| H171 | C17 | C18 | C19 | 179.9° | 179.9° |
| H171 | C17 | C18 | H181 | 0.1° | 0.0° |
| H181 | C18 | C19 | H191 | 0.0° | 0.1° |
| C41 | C42 | C43 | H421 | 179.9° | 180.0° |
| C41 | C42 | C43 | C44 | 0.1° | 0.0° |
| C41 | C42 | C43 | H431 | 179.8° | 180.0° |
| H411 | C41 | C42 | C43 | 179.8° | 180.0° |
| H411 | C41 | C42 | H421 | 0.1° | 0.1° |
| C42 | C43 | C44 | H431 | 180.0° | 179.9° |
| C42 | C43 | C44 | H441 | 179.9° | 180.0° |
| H421 | C42 | C43 | C44 | 179.9° | 180.0° |
| H421 | C42 | C43 | H431 | 0.1° | 0.0° |
| H431 | C43 | C44 | H441 | 0.0° | 0.1° |
