L75
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.47Å | |
| N1 | C9 | sing | 1.47Å | 1.46Å | |
| N1 | C31 | sing | 1.47Å | 1.50Å | |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.51Å | 1.52Å | |
| C2 | N3 | sing | 1.47Å | 1.48Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C3 | O1 | doub | 1.21Å | 1.25Å | |
| C3 | N2 | sing | 1.35Å | 1.34Å | |
| N2 | C4 | sing | 1.46Å | 1.49Å | |
| N2 | H1 | sing | 0.97Å | 1.02Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | C7 | sing | 1.53Å | 1.56Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C5 | H53 | sing | 1.09Å | 1.12Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C6 | H63 | sing | 1.09Å | 1.11Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C7 | H73 | sing | 1.09Å | 1.12Å | |
| N3 | C8 | sing | 1.47Å | 1.49Å | |
| N3 | C10 | sing | 1.47Å | 1.47Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C10 | C11 | sing | 1.53Å | 1.50Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | O2 | sing | 1.43Å | 1.40Å | |
| C11 | C12 | sing | 1.53Å | 1.50Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | C21 | sing | 1.51Å | 1.53Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C15 | C16 | doub | 1.38Å | 1.43Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | H161 | sing | 1.08Å | 1.10Å | |
| C17 | C18 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | H171 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | H181 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | H191 | sing | 1.08Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.10Å | |
| C21 | O3 | doub | 1.21Å | 1.23Å | |
| C21 | N4 | sing | 1.35Å | 1.34Å | |
| N4 | C22 | sing | 1.47Å | 1.48Å | |
| N4 | H3 | sing | 0.97Å | 1.02Å | |
| C22 | C23 | sing | 1.54Å | 1.58Å | |
| C22 | C30 | sing | 1.51Å | 1.46Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C23 | O4 | sing | 1.43Å | 1.42Å | |
| C23 | C24 | sing | 1.54Å | 1.56Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| O4 | H4 | sing | 0.97Å | 0.95Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C25 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C30 | sing | 1.38Å | 1.35Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | H261 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | doub | 1.38Å | 1.42Å | Aromatic |
| C27 | H271 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | H281 | sing | 1.08Å | 1.10Å | |
| C29 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | H291 | sing | 1.08Å | 1.10Å | |
| C31 | C38 | sing | 1.51Å | 1.54Å | |
| C31 | H311 | sing | 1.09Å | 1.12Å | |
| C31 | H312 | sing | 1.09Å | 1.12Å | |
| C32 | C33 | doub | 1.38Å | 1.44Å | Aromatic |
| C32 | C37 | sing | 1.39Å | 1.44Å | Aromatic |
| C32 | H321 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | sing | 1.39Å | 1.41Å | Aromatic |
| C33 | H331 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | doub | 1.40Å | 1.39Å | Aromatic |
| C34 | O5 | sing | 1.35Å | 1.35Å | Aromatic |
| C35 | C36 | sing | 1.39Å | 1.41Å | Aromatic |
| C35 | C39 | sing | 1.47Å | 1.44Å | Aromatic |
| C36 | C37 | doub | 1.38Å | 1.43Å | Aromatic |
| C36 | H361 | sing | 1.08Å | 1.10Å | |
| C37 | H371 | sing | 1.08Å | 1.10Å | |
| O5 | C38 | sing | 1.34Å | 1.40Å | Aromatic |
| C38 | C39 | doub | 1.34Å | 1.46Å | Aromatic |
| C39 | H391 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C9 | 110.3° | 106.8° |
| C1 | N1 | C31 | 110.7° | 106.7° |
| N1 | C1 | C2 | 108.4° | 109.7° |
| N1 | C1 | H11 | 112.6° | 109.5° |
| N1 | C1 | H12 | 112.6° | 109.4° |
| C9 | N1 | C31 | 111.5° | 106.7° |
| N1 | C9 | C8 | 109.5° | 109.7° |
| N1 | C9 | H91 | 112.2° | 109.5° |
| N1 | C9 | H92 | 112.2° | 109.4° |
| N1 | C31 | C38 | 112.5° | 109.4° |
| N1 | C31 | H311 | 111.1° | 109.5° |
| N1 | C31 | H312 | 111.1° | 109.5° |
| C2 | C1 | H11 | 112.7° | 109.4° |
| C2 | C1 | H12 | 112.7° | 109.4° |
| C1 | C2 | C3 | 109.8° | 109.5° |
| C1 | C2 | N3 | 109.5° | 109.6° |
| C1 | C2 | H21 | 110.0° | 109.4° |
| H11 | C1 | H12 | 97.8° | 109.4° |
| C3 | C2 | N3 | 111.6° | 109.5° |
| C3 | C2 | H21 | 107.8° | 109.4° |
| C2 | C3 | O1 | 119.1° | 120.0° |
| C2 | C3 | N2 | 115.1° | 120.1° |
| N3 | C2 | H21 | 108.1° | 109.4° |
| C2 | N3 | C8 | 110.9° | 106.9° |
| C2 | N3 | C10 | 110.2° | 106.7° |
| O1 | C3 | N2 | 125.7° | 120.0° |
| C3 | N2 | C4 | 123.1° | 120.1° |
| C3 | N2 | H1 | 113.2° | 120.0° |
| C4 | N2 | H1 | 123.7° | 119.9° |
| N2 | C4 | C5 | 108.3° | 109.5° |
| N2 | C4 | C6 | 110.2° | 109.5° |
| N2 | C4 | C7 | 109.9° | 109.4° |
| C5 | C4 | C6 | 107.8° | 109.5° |
| C5 | C4 | C7 | 109.0° | 109.5° |
| C4 | C5 | H51 | 108.3° | 109.5° |
| C4 | C5 | H52 | 112.7° | 109.4° |
| C4 | C5 | H53 | 112.6° | 109.5° |
| C6 | C4 | C7 | 111.5° | 109.4° |
| C4 | C6 | H61 | 110.2° | 109.4° |
| C4 | C6 | H62 | 111.9° | 109.5° |
| C4 | C6 | H63 | 111.9° | 109.4° |
| C4 | C7 | H71 | 110.0° | 109.5° |
| C4 | C7 | H72 | 112.0° | 109.5° |
| C4 | C7 | H73 | 112.0° | 109.4° |
| H51 | C5 | H52 | 112.7° | 109.5° |
| H51 | C5 | H53 | 112.7° | 109.5° |
| H52 | C5 | H53 | 97.8° | 109.5° |
| H61 | C6 | H62 | 112.0° | 109.5° |
| H61 | C6 | H63 | 112.0° | 109.5° |
| H62 | C6 | H63 | 98.5° | 109.6° |
| H71 | C7 | H72 | 112.1° | 109.5° |
| H71 | C7 | H73 | 112.1° | 109.5° |
| H72 | C7 | H73 | 98.3° | 109.5° |
| C8 | N3 | C10 | 108.8° | 106.7° |
| N3 | C8 | C9 | 109.7° | 109.6° |
| N3 | C8 | H81 | 112.2° | 109.5° |
| N3 | C8 | H82 | 112.2° | 109.5° |
| N3 | C10 | C11 | 109.4° | 109.5° |
| N3 | C10 | H101 | 112.2° | 109.4° |
| N3 | C10 | H102 | 112.2° | 109.4° |
| C9 | C8 | H81 | 112.1° | 109.5° |
| C9 | C8 | H82 | 112.1° | 109.4° |
| C8 | C9 | H91 | 112.2° | 109.4° |
| C8 | C9 | H92 | 112.2° | 109.5° |
| H81 | C8 | H82 | 98.3° | 109.4° |
| H91 | C9 | H92 | 98.2° | 109.4° |
| C11 | C10 | H101 | 112.3° | 109.5° |
| C11 | C10 | H102 | 112.3° | 109.5° |
| C10 | C11 | O2 | 107.5° | 109.5° |
| C10 | C11 | C12 | 113.7° | 109.4° |
| C10 | C11 | H111 | 107.2° | 109.5° |
| H101 | C10 | H102 | 98.2° | 109.4° |
| O2 | C11 | C12 | 107.0° | 109.5° |
| O2 | C11 | H111 | 113.9° | 109.5° |
| C11 | O2 | H2 | 107.5° | 106.8° |
| C12 | C11 | H111 | 107.8° | 109.5° |
| C11 | C12 | C13 | 120.6° | 109.4° |
| C11 | C12 | H121 | 108.2° | 109.5° |
| C11 | C12 | H122 | 108.2° | 109.5° |
| C13 | C12 | H121 | 108.2° | 109.5° |
| C13 | C12 | H122 | 108.2° | 109.5° |
| C12 | C13 | C14 | 109.5° | 109.5° |
| C12 | C13 | C21 | 110.2° | 109.4° |
| C12 | C13 | H131 | 109.7° | 109.5° |
| H121 | C12 | H122 | 101.7° | 109.5° |
| C14 | C13 | C21 | 111.5° | 109.5° |
| C14 | C13 | H131 | 108.3° | 109.5° |
| C13 | C14 | C15 | 112.8° | 109.5° |
| C13 | C14 | H141 | 111.0° | 109.5° |
| C13 | C14 | H142 | 110.9° | 109.5° |
| C21 | C13 | H131 | 107.6° | 109.5° |
| C13 | C21 | O3 | 119.5° | 120.0° |
| C13 | C21 | N4 | 114.9° | 120.0° |
| C15 | C14 | H141 | 111.0° | 109.5° |
| C15 | C14 | H142 | 111.0° | 109.4° |
| C14 | C15 | C16 | 120.8° | 120.0° |
| C14 | C15 | C20 | 118.8° | 120.0° |
| H141 | C14 | H142 | 99.4° | 109.4° |
| C16 | C15 | C20 | 120.4° | 120.0° |
| C15 | C16 | C17 | 119.1° | 120.0° |
| C15 | C16 | H161 | 121.6° | 120.0° |
| C15 | C20 | C19 | 119.7° | 120.0° |
| C15 | C20 | H201 | 121.1° | 120.0° |
| C17 | C16 | H161 | 119.3° | 120.0° |
| C16 | C17 | C18 | 119.6° | 120.1° |
| C16 | C17 | H171 | 119.6° | 119.9° |
| C18 | C17 | H171 | 120.8° | 120.0° |
| C17 | C18 | C19 | 122.0° | 119.9° |
| C17 | C18 | H181 | 119.3° | 120.0° |
| C19 | C18 | H181 | 118.7° | 120.0° |
| C18 | C19 | C20 | 119.2° | 120.0° |
| C18 | C19 | H191 | 120.6° | 120.0° |
| C20 | C19 | H191 | 120.2° | 120.0° |
| C19 | C20 | H201 | 119.2° | 119.9° |
| O3 | C21 | N4 | 125.5° | 120.0° |
| C21 | N4 | C22 | 118.9° | 120.0° |
| C21 | N4 | H3 | 116.0° | 120.0° |
| C22 | N4 | H3 | 125.1° | 120.0° |
| N4 | C22 | C23 | 109.1° | 110.3° |
| N4 | C22 | C30 | 114.5° | 110.3° |
| N4 | C22 | H221 | 104.5° | 110.2° |
| C23 | C22 | C30 | 102.9° | 105.3° |
| C23 | C22 | H221 | 115.8° | 110.2° |
| C22 | C23 | O4 | 107.3° | 110.8° |
| C22 | C23 | C24 | 100.6° | 102.4° |
| C22 | C23 | H231 | 115.4° | 110.9° |
| C30 | C22 | H221 | 110.4° | 110.3° |
| C22 | C30 | C25 | 110.9° | 109.7° |
| C22 | C30 | C29 | 126.7° | 130.5° |
| O4 | C23 | C24 | 106.7° | 111.0° |
| O4 | C23 | H231 | 110.1° | 110.7° |
| C23 | O4 | H4 | 107.3° | 106.8° |
| C24 | C23 | H231 | 115.9° | 110.8° |
| C23 | C24 | C25 | 101.9° | 105.2° |
| C23 | C24 | H241 | 115.1° | 110.3° |
| C23 | C24 | H242 | 115.1° | 110.3° |
| C25 | C24 | H241 | 115.1° | 110.3° |
| C25 | C24 | H242 | 115.1° | 110.3° |
| C24 | C25 | C26 | 125.5° | 130.4° |
| C24 | C25 | C30 | 111.3° | 109.8° |
| H241 | C24 | H242 | 95.4° | 110.3° |
| C26 | C25 | C30 | 122.2° | 119.8° |
| C25 | C26 | C27 | 117.3° | 120.2° |
| C25 | C26 | H261 | 121.5° | 119.9° |
| C25 | C30 | C29 | 122.3° | 119.8° |
| C27 | C26 | H261 | 121.2° | 119.9° |
| C26 | C27 | C28 | 119.9° | 119.9° |
| C26 | C27 | H271 | 119.0° | 120.0° |
| C28 | C27 | H271 | 121.1° | 120.1° |
| C27 | C28 | C29 | 121.0° | 120.0° |
| C27 | C28 | H281 | 120.3° | 120.0° |
| C29 | C28 | H281 | 118.7° | 120.0° |
| C28 | C29 | C30 | 117.0° | 120.2° |
| C28 | C29 | H291 | 122.1° | 119.9° |
| C30 | C29 | H291 | 121.0° | 119.9° |
| C38 | C31 | H311 | 111.1° | 109.5° |
| C38 | C31 | H312 | 111.1° | 109.4° |
| C31 | C38 | O5 | 123.7° | 125.0° |
| C31 | C38 | C39 | 122.6° | 124.9° |
| H311 | C31 | H312 | 99.2° | 109.5° |
| C33 | C32 | C37 | 120.2° | 120.7° |
| C33 | C32 | H321 | 120.0° | 119.7° |
| C32 | C33 | C34 | 116.4° | 119.9° |
| C32 | C33 | H331 | 122.8° | 120.0° |
| C37 | C32 | H321 | 119.8° | 119.6° |
| C32 | C37 | C36 | 120.7° | 120.2° |
| C32 | C37 | H371 | 120.1° | 119.9° |
| C34 | C33 | H331 | 120.8° | 120.0° |
| C33 | C34 | C35 | 123.7° | 119.3° |
| C33 | C34 | O5 | 125.6° | 133.4° |
| C35 | C34 | O5 | 110.7° | 107.2° |
| C34 | C35 | C36 | 120.8° | 120.1° |
| C34 | C35 | C39 | 111.0° | 105.5° |
| C34 | O5 | C38 | 105.5° | 110.9° |
| C36 | C35 | C39 | 128.1° | 134.3° |
| C35 | C36 | C37 | 117.9° | 119.6° |
| C35 | C36 | H361 | 120.6° | 120.2° |
| C35 | C39 | C38 | 99.4° | 106.1° |
| C35 | C39 | H391 | 129.9° | 126.9° |
| C37 | C36 | H361 | 121.5° | 120.2° |
| C36 | C37 | H371 | 119.1° | 119.9° |
| O5 | C38 | C39 | 113.1° | 110.2° |
| C38 | C39 | H391 | 130.7° | 126.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C9 | C31 | 123.4° | 113.9° |
| N1 | C1 | C2 | H11 | 125.2° | 120.1° |
| N1 | C1 | C2 | H12 | 125.3° | 120.0° |
| N1 | C1 | H11 | H12 | 118.5° | 119.9° |
| N1 | C1 | C2 | C3 | 176.3° | 176.9° |
| N1 | C1 | C2 | N3 | 60.8° | 62.9° |
| N1 | C1 | C2 | H21 | 57.8° | 57.0° |
| C1 | N1 | C9 | C8 | 61.1° | 61.2° |
| C1 | N1 | C9 | H91 | 64.2° | 58.9° |
| C1 | N1 | C9 | H92 | 173.6° | 178.7° |
| C1 | N1 | C31 | C38 | 71.0° | 180.0° |
| C1 | N1 | C31 | H311 | 54.3° | 60.0° |
| C1 | N1 | C31 | H312 | 163.8° | 60.1° |
| C9 | N1 | C1 | C2 | 63.0° | 61.2° |
| C9 | N1 | C1 | H11 | 171.7° | 58.9° |
| C9 | N1 | C1 | H12 | 62.4° | 178.8° |
| N1 | C9 | C8 | N3 | 56.7° | 62.9° |
| N1 | C9 | C8 | H91 | 125.3° | 120.1° |
| N1 | C9 | C8 | H92 | 125.2° | 120.0° |
| N1 | C9 | C8 | H81 | 68.6° | 177.0° |
| N1 | C9 | C8 | H82 | 178.0° | 57.1° |
| N1 | C9 | H91 | H92 | 118.1° | 119.9° |
| C9 | N1 | C31 | C38 | 52.2° | 66.1° |
| C9 | N1 | C31 | H311 | 177.5° | 53.9° |
| C9 | N1 | C31 | H312 | 73.0° | 174.0° |
| C31 | N1 | C1 | C2 | 173.2° | 175.1° |
| C31 | N1 | C1 | H11 | 47.9° | 55.0° |
| C31 | N1 | C1 | H12 | 61.5° | 64.9° |
| C31 | N1 | C9 | C8 | 175.4° | 175.1° |
| C31 | N1 | C9 | H91 | 59.3° | 55.0° |
| C31 | N1 | C9 | H92 | 50.1° | 64.9° |
| N1 | C31 | C38 | H311 | 125.3° | 120.0° |
| N1 | C31 | C38 | H312 | 125.3° | 120.0° |
| N1 | C31 | H311 | H312 | 117.0° | 120.1° |
| N1 | C31 | C38 | O5 | 52.8° | 90.0° |
| N1 | C31 | C38 | C39 | 137.0° | 89.8° |
| C2 | C1 | H11 | H12 | 118.6° | 119.9° |
| C1 | C2 | C3 | N3 | 121.6° | 120.2° |
| C1 | C2 | C3 | H21 | 119.8° | 119.9° |
| C1 | C2 | N3 | H21 | 119.8° | 120.0° |
| C1 | C2 | C3 | O1 | 73.0° | 120.0° |
| C1 | C2 | C3 | N2 | 110.2° | 59.8° |
| C1 | C2 | N3 | C8 | 58.4° | 61.2° |
| C1 | C2 | N3 | C10 | 179.0° | 175.1° |
| H11 | C1 | C2 | C3 | 51.1° | 63.0° |
| H11 | C1 | C2 | N3 | 173.9° | 57.2° |
| H11 | C1 | C2 | H21 | 67.4° | 177.1° |
| H12 | C1 | C2 | C3 | 58.4° | 56.9° |
| H12 | C1 | C2 | N3 | 64.4° | 177.0° |
| H12 | C1 | C2 | H21 | 176.9° | 63.0° |
| C3 | C2 | N3 | H21 | 118.5° | 119.9° |
| C2 | C3 | O1 | N2 | 176.3° | 179.8° |
| C2 | C3 | N2 | C4 | 177.3° | 180.0° |
| C2 | C3 | N2 | H1 | 2.7° | 0.1° |
| C3 | C2 | N3 | C8 | 179.9° | 178.6° |
| C3 | C2 | N3 | C10 | 59.3° | 64.8° |
| N3 | C2 | C3 | O1 | 48.5° | 0.2° |
| N3 | C2 | C3 | N2 | 128.2° | 180.0° |
| C2 | N3 | C8 | C10 | 121.4° | 113.9° |
| C2 | N3 | C8 | C9 | 56.0° | 61.2° |
| C2 | N3 | C8 | H81 | 69.2° | 178.7° |
| C2 | N3 | C8 | H82 | 178.7° | 58.8° |
| C2 | N3 | C10 | C11 | 144.9° | 168.7° |
| C2 | N3 | C10 | H101 | 89.8° | 71.2° |
| C2 | N3 | C10 | H102 | 19.6° | 48.7° |
| H21 | C2 | C3 | O1 | 167.1° | 120.0° |
| H21 | C2 | C3 | N2 | 9.6° | 60.1° |
| H21 | C2 | N3 | C8 | 61.5° | 58.8° |
| H21 | C2 | N3 | C10 | 59.2° | 55.1° |
| O1 | C3 | N2 | C4 | 0.9° | 0.1° |
| O1 | C3 | N2 | H1 | 179.1° | 180.0° |
| C3 | N2 | C4 | H1 | 180.0° | 179.9° |
| C3 | N2 | C4 | C5 | 177.3° | 180.0° |
| C3 | N2 | C4 | C6 | 65.1° | 59.9° |
| C3 | N2 | C4 | C7 | 58.2° | 60.0° |
| N2 | C4 | C5 | C6 | 119.2° | 120.1° |
| N2 | C4 | C5 | C7 | 119.6° | 120.0° |
| N2 | C4 | C6 | C7 | 122.4° | 119.9° |
| N2 | C4 | C5 | H51 | 180.0° | 180.0° |
| N2 | C4 | C5 | H52 | 54.7° | 60.0° |
| N2 | C4 | C5 | H53 | 54.7° | 60.0° |
| N2 | C4 | C6 | H61 | 180.0° | 60.0° |
| N2 | C4 | C6 | H62 | 54.7° | 180.0° |
| N2 | C4 | C6 | H63 | 54.7° | 59.9° |
| N2 | C4 | C7 | H71 | 180.0° | 60.0° |
| N2 | C4 | C7 | H72 | 54.7° | 60.0° |
| N2 | C4 | C7 | H73 | 54.7° | 180.0° |
| H1 | N2 | C4 | C5 | 2.7° | 0.0° |
| H1 | N2 | C4 | C6 | 115.0° | 120.0° |
| H1 | N2 | C4 | C7 | 121.7° | 120.0° |
| C5 | C4 | C6 | C7 | 119.6° | 120.0° |
| C4 | C5 | H51 | H52 | 125.3° | 120.0° |
| C4 | C5 | H51 | H53 | 125.2° | 120.0° |
| C4 | C5 | H52 | H53 | 118.5° | 120.0° |
| C5 | C4 | C6 | H61 | 62.0° | 60.0° |
| C5 | C4 | C6 | H62 | 172.7° | 60.0° |
| C5 | C4 | C6 | H63 | 63.3° | 180.0° |
| C5 | C4 | C7 | H71 | 61.4° | 60.0° |
| C5 | C4 | C7 | H72 | 63.9° | 180.0° |
| C5 | C4 | C7 | H73 | 173.3° | 60.0° |
| C6 | C4 | C5 | H51 | 60.8° | 60.0° |
| C6 | C4 | C5 | H52 | 64.5° | 60.0° |
| C6 | C4 | C5 | H53 | 173.9° | 180.0° |
| C4 | C6 | H61 | H62 | 125.2° | 120.0° |
| C4 | C6 | H61 | H63 | 125.2° | 119.9° |
| C4 | C6 | H62 | H63 | 117.8° | 120.0° |
| C6 | C4 | C7 | H71 | 57.5° | 180.0° |
| C6 | C4 | C7 | H72 | 177.2° | 60.0° |
| C6 | C4 | C7 | H73 | 67.8° | 60.0° |
| C7 | C4 | C5 | H51 | 60.4° | 60.0° |
| C7 | C4 | C5 | H52 | 174.3° | 180.0° |
| C7 | C4 | C5 | H53 | 64.9° | 60.0° |
| C7 | C4 | C6 | H61 | 57.6° | 180.0° |
| C7 | C4 | C6 | H62 | 67.7° | 60.0° |
| C7 | C4 | C6 | H63 | 177.1° | 60.0° |
| C4 | C7 | H71 | H72 | 125.3° | 120.0° |
| C4 | C7 | H71 | H73 | 125.3° | 119.9° |
| C4 | C7 | H72 | H73 | 117.9° | 120.0° |
| H51 | C5 | H52 | H53 | 118.6° | 120.0° |
| H61 | C6 | H62 | H63 | 117.9° | 120.1° |
| H71 | C7 | H72 | H73 | 117.9° | 120.0° |
| N3 | C8 | C9 | H81 | 125.3° | 120.1° |
| N3 | C8 | C9 | H82 | 125.3° | 120.0° |
| N3 | C8 | H81 | H82 | 118.1° | 119.9° |
| N3 | C8 | C9 | H91 | 68.6° | 57.2° |
| N3 | C8 | C9 | H92 | 178.0° | 177.0° |
| C8 | N3 | C10 | C11 | 93.2° | 77.2° |
| C8 | N3 | C10 | H101 | 32.0° | 42.8° |
| C8 | N3 | C10 | H102 | 141.5° | 162.8° |
| C10 | N3 | C8 | C9 | 177.5° | 175.1° |
| C10 | N3 | C8 | H81 | 52.3° | 64.8° |
| C10 | N3 | C8 | H82 | 57.3° | 55.1° |
| N3 | C10 | C11 | H101 | 125.2° | 120.0° |
| N3 | C10 | C11 | H102 | 125.2° | 120.0° |
| N3 | C10 | H101 | H102 | 118.1° | 119.9° |
| N3 | C10 | C11 | O2 | 139.9° | 66.7° |
| N3 | C10 | C11 | C12 | 101.9° | 173.3° |
| N3 | C10 | C11 | H111 | 17.1° | 53.4° |
| C9 | C8 | H81 | H82 | 118.0° | 119.9° |
| C8 | C9 | H91 | H92 | 118.2° | 119.9° |
| H81 | C8 | C9 | H91 | 166.1° | 62.9° |
| H81 | C8 | C9 | H92 | 56.7° | 56.9° |
| H82 | C8 | C9 | H91 | 56.7° | 177.2° |
| H82 | C8 | C9 | H92 | 52.7° | 62.9° |
| C11 | C10 | H101 | H102 | 118.2° | 120.1° |
| C10 | C11 | O2 | C12 | 122.5° | 120.0° |
| C10 | C11 | O2 | H111 | 118.6° | 120.1° |
| C10 | C11 | C12 | H111 | 118.6° | 120.0° |
| C10 | C11 | O2 | H2 | 179.9° | 60.0° |
| C10 | C11 | C12 | C13 | 178.6° | 172.9° |
| C10 | C11 | C12 | H121 | 53.3° | 67.1° |
| C10 | C11 | C12 | H122 | 56.2° | 52.9° |
| H101 | C10 | C11 | O2 | 14.6° | 53.3° |
| H101 | C10 | C11 | C12 | 132.9° | 66.7° |
| H101 | C10 | C11 | H111 | 108.2° | 173.4° |
| H102 | C10 | C11 | O2 | 94.9° | 173.3° |
| H102 | C10 | C11 | C12 | 23.3° | 53.4° |
| H102 | C10 | C11 | H111 | 142.3° | 66.6° |
| O2 | C11 | C12 | H111 | 122.8° | 120.0° |
| O2 | C11 | C12 | C13 | 60.0° | 67.1° |
| O2 | C11 | C12 | H121 | 65.3° | 52.9° |
| O2 | C11 | C12 | H122 | 174.7° | 172.9° |
| C12 | C11 | O2 | H2 | 57.6° | 60.0° |
| C11 | C12 | C13 | H121 | 125.3° | 120.0° |
| C11 | C12 | C13 | H122 | 125.2° | 120.0° |
| C11 | C12 | H121 | H122 | 113.8° | 120.0° |
| C11 | C12 | C13 | C14 | 173.0° | 68.8° |
| C11 | C12 | C13 | C21 | 64.1° | 171.2° |
| C11 | C12 | C13 | H131 | 54.2° | 51.2° |
| H111 | C11 | O2 | H2 | 61.3° | 180.0° |
| H111 | C11 | C12 | C13 | 62.8° | 52.9° |
| H111 | C11 | C12 | H121 | 171.9° | 172.9° |
| H111 | C11 | C12 | H122 | 62.5° | 67.1° |
| C13 | C12 | H121 | H122 | 113.9° | 120.0° |
| C12 | C13 | C14 | C21 | 122.2° | 120.0° |
| C12 | C13 | C14 | H131 | 119.6° | 120.0° |
| C12 | C13 | C21 | H131 | 119.6° | 120.0° |
| C12 | C13 | C14 | C15 | 170.2° | 178.5° |
| C12 | C13 | C14 | H141 | 64.5° | 58.5° |
| C12 | C13 | C14 | H142 | 44.9° | 61.5° |
| C12 | C13 | C21 | O3 | 54.0° | 39.8° |
| C12 | C13 | C21 | N4 | 128.8° | 140.3° |
| H121 | C12 | C13 | C14 | 47.7° | 51.2° |
| H121 | C12 | C13 | C21 | 170.7° | 68.8° |
| H121 | C12 | C13 | H131 | 71.1° | 171.2° |
| H122 | C12 | C13 | C14 | 61.8° | 171.2° |
| H122 | C12 | C13 | C21 | 61.2° | 51.2° |
| H122 | C12 | C13 | H131 | 179.4° | 68.8° |
| C14 | C13 | C21 | H131 | 118.6° | 120.0° |
| C13 | C14 | C15 | H141 | 125.3° | 120.0° |
| C13 | C14 | C15 | H142 | 125.2° | 120.1° |
| C13 | C14 | H141 | H142 | 116.8° | 120.0° |
| C13 | C14 | C15 | C16 | 65.0° | 83.9° |
| C13 | C14 | C15 | C20 | 114.9° | 96.2° |
| C14 | C13 | C21 | O3 | 67.8° | 80.2° |
| C14 | C13 | C21 | N4 | 109.4° | 99.7° |
| C21 | C13 | C14 | C15 | 48.0° | 61.5° |
| C21 | C13 | C14 | H141 | 173.3° | 178.5° |
| C21 | C13 | C14 | H142 | 77.2° | 58.5° |
| C13 | C21 | O3 | N4 | 176.9° | 179.9° |
| C13 | C21 | N4 | C22 | 161.8° | 174.8° |
| C13 | C21 | N4 | H3 | 18.2° | 5.1° |
| H131 | C13 | C14 | C15 | 70.2° | 58.5° |
| H131 | C13 | C14 | H141 | 55.1° | 61.5° |
| H131 | C13 | C14 | H142 | 164.6° | 178.5° |
| H131 | C13 | C21 | O3 | 173.6° | 159.8° |
| H131 | C13 | C21 | N4 | 9.2° | 20.3° |
| C15 | C14 | H141 | H142 | 116.9° | 119.9° |
| C14 | C15 | C16 | C20 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 179.0° | 179.9° |
| C14 | C15 | C16 | H161 | 1.1° | 0.0° |
| C14 | C15 | C20 | C19 | 179.6° | 179.7° |
| C14 | C15 | C20 | H201 | 0.5° | 0.1° |
| H141 | C14 | C15 | C16 | 60.2° | 36.1° |
| H141 | C14 | C15 | C20 | 119.8° | 143.7° |
| H142 | C14 | C15 | C16 | 169.7° | 156.0° |
| H142 | C14 | C15 | C20 | 10.3° | 23.8° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.8° | 0.1° |
| C15 | C16 | C17 | H171 | 179.3° | 180.0° |
| C16 | C15 | C20 | C19 | 0.4° | 0.4° |
| C16 | C15 | C20 | H201 | 179.5° | 180.0° |
| C20 | C15 | C16 | C17 | 1.1° | 0.3° |
| C20 | C15 | C16 | H161 | 178.9° | 179.8° |
| C15 | C20 | C19 | C18 | 0.5° | 0.4° |
| C15 | C20 | C19 | H201 | 179.9° | 179.6° |
| C15 | C20 | C19 | H191 | 179.5° | 179.8° |
| C16 | C17 | C18 | H171 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.2° | 0.0° |
| C16 | C17 | C18 | H181 | 179.9° | 180.0° |
| H161 | C16 | C17 | C18 | 179.2° | 180.0° |
| H161 | C16 | C17 | H171 | 0.8° | 0.1° |
| C17 | C18 | C19 | H181 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.8° | 0.2° |
| C17 | C18 | C19 | H191 | 179.2° | 180.0° |
| H171 | C17 | C18 | C19 | 179.8° | 180.0° |
| H171 | C17 | C18 | H181 | 0.2° | 0.1° |
| C18 | C19 | C20 | H191 | 179.9° | 179.8° |
| C18 | C19 | C20 | H201 | 179.6° | 180.0° |
| H181 | C18 | C19 | C20 | 179.2° | 179.8° |
| H181 | C18 | C19 | H191 | 0.8° | 0.0° |
| H191 | C19 | C20 | H201 | 0.5° | 0.2° |
| O3 | C21 | N4 | C22 | 15.2° | 5.3° |
| O3 | C21 | N4 | H3 | 164.8° | 174.8° |
| C21 | N4 | C22 | H3 | 179.9° | 179.9° |
| C21 | N4 | C22 | C23 | 129.3° | 153.2° |
| C21 | N4 | C22 | C30 | 116.0° | 90.9° |
| C21 | N4 | C22 | H221 | 5.0° | 31.2° |
| N4 | C22 | C23 | C30 | 122.0° | 119.0° |
| N4 | C22 | C23 | H221 | 117.4° | 122.0° |
| N4 | C22 | C30 | H221 | 117.6° | 122.1° |
| N4 | C22 | C23 | O4 | 44.5° | 26.9° |
| N4 | C22 | C23 | C24 | 155.9° | 145.3° |
| N4 | C22 | C23 | H231 | 78.6° | 96.5° |
| N4 | C22 | C30 | C25 | 142.9° | 136.1° |
| N4 | C22 | C30 | C29 | 35.8° | 43.7° |
| H3 | N4 | C22 | C23 | 50.7° | 26.9° |
| H3 | N4 | C22 | C30 | 64.0° | 89.0° |
| H3 | N4 | C22 | H221 | 175.1° | 148.8° |
| C23 | C22 | C30 | H221 | 124.1° | 119.0° |
| C22 | C23 | O4 | C24 | 107.1° | 113.0° |
| C22 | C23 | O4 | H231 | 126.3° | 123.5° |
| C22 | C23 | C24 | H231 | 125.2° | 118.3° |
| C22 | C23 | O4 | H4 | 180.0° | 175.5° |
| C22 | C23 | C24 | C25 | 31.0° | 26.3° |
| C22 | C23 | C24 | H241 | 156.3° | 145.3° |
| C22 | C23 | C24 | H242 | 94.2° | 92.6° |
| C23 | C22 | C30 | C25 | 24.6° | 17.1° |
| C23 | C22 | C30 | C29 | 154.1° | 162.7° |
| C30 | C22 | C23 | O4 | 77.5° | 92.1° |
| C30 | C22 | C23 | C24 | 33.9° | 26.3° |
| C30 | C22 | C23 | H231 | 159.4° | 144.5° |
| C22 | C30 | C25 | C24 | 4.1° | 0.1° |
| C22 | C30 | C25 | C26 | 173.2° | 180.0° |
| C22 | C30 | C25 | C29 | 178.8° | 179.8° |
| C22 | C30 | C29 | C28 | 173.8° | 179.9° |
| C22 | C30 | C29 | H291 | 6.2° | 0.2° |
| H221 | C22 | C23 | O4 | 162.0° | 148.9° |
| H221 | C22 | C23 | C24 | 86.7° | 92.7° |
| H221 | C22 | C23 | H231 | 38.8° | 25.5° |
| H221 | C22 | C30 | C25 | 99.5° | 101.9° |
| H221 | C22 | C30 | C29 | 81.8° | 78.3° |
| O4 | C23 | C24 | H231 | 123.0° | 123.4° |
| O4 | C23 | C24 | C25 | 80.8° | 91.9° |
| O4 | C23 | C24 | H241 | 44.5° | 27.0° |
| O4 | C23 | C24 | H242 | 154.0° | 149.1° |
| C24 | C23 | O4 | H4 | 72.9° | 62.5° |
| C23 | C24 | C25 | H241 | 125.3° | 118.9° |
| C23 | C24 | C25 | H242 | 125.3° | 118.9° |
| C23 | C24 | H241 | H242 | 121.0° | 122.0° |
| C23 | C24 | C25 | C26 | 150.2° | 162.9° |
| C23 | C24 | C25 | C30 | 18.5° | 17.3° |
| H231 | C23 | O4 | H4 | 53.7° | 61.0° |
| H231 | C23 | C24 | C25 | 156.2° | 144.6° |
| H231 | C23 | C24 | H241 | 78.5° | 96.4° |
| H231 | C23 | C24 | H242 | 31.0° | 25.7° |
| C25 | C24 | H241 | H242 | 120.9° | 122.2° |
| C24 | C25 | C26 | C30 | 167.5° | 179.8° |
| C24 | C25 | C26 | C27 | 171.1° | 180.0° |
| C24 | C25 | C26 | H261 | 8.9° | 0.1° |
| C24 | C25 | C30 | C29 | 174.7° | 179.9° |
| H241 | C24 | C25 | C26 | 24.9° | 44.0° |
| H241 | C24 | C25 | C30 | 143.8° | 136.2° |
| H242 | C24 | C25 | C26 | 84.5° | 78.2° |
| H242 | C24 | C25 | C30 | 106.8° | 101.7° |
| C25 | C26 | C27 | H261 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 1.2° | 0.1° |
| C25 | C26 | C27 | H271 | 178.7° | 179.9° |
| C26 | C25 | C30 | C29 | 5.5° | 0.2° |
| C30 | C25 | C26 | C27 | 3.6° | 0.2° |
| C30 | C25 | C26 | H261 | 176.4° | 179.9° |
| C25 | C30 | C29 | C28 | 4.8° | 0.2° |
| C25 | C30 | C29 | H291 | 175.2° | 179.9° |
| C26 | C27 | C28 | H271 | 179.9° | 180.0° |
| C26 | C27 | C28 | C29 | 0.7° | 0.0° |
| C26 | C27 | C28 | H281 | 179.3° | 180.0° |
| H261 | C26 | C27 | C28 | 178.8° | 180.0° |
| H261 | C26 | C27 | H271 | 1.3° | 0.0° |
| C27 | C28 | C29 | H281 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 2.4° | 0.1° |
| C27 | C28 | C29 | H291 | 177.6° | 180.0° |
| H271 | C27 | C28 | C29 | 179.2° | 180.0° |
| H271 | C27 | C28 | H281 | 0.8° | 0.1° |
| C28 | C29 | C30 | H291 | 180.0° | 179.9° |
| H281 | C28 | C29 | C30 | 177.6° | 180.0° |
| H281 | C28 | C29 | H291 | 2.4° | 0.1° |
| C38 | C31 | H311 | H312 | 116.9° | 120.0° |
| C31 | C38 | O5 | C34 | 171.6° | 180.0° |
| C31 | C38 | C39 | C35 | 169.2° | 179.9° |
| C31 | C38 | O5 | C39 | 171.0° | 179.9° |
| C31 | C38 | C39 | H391 | 10.7° | 0.1° |
| H311 | C31 | C38 | O5 | 178.1° | 150.0° |
| H311 | C31 | C38 | C39 | 11.7° | 30.2° |
| H312 | C31 | C38 | O5 | 72.5° | 29.9° |
| H312 | C31 | C38 | C39 | 97.7° | 150.2° |
| C33 | C32 | C37 | H321 | 180.0° | 179.9° |
| C32 | C33 | C34 | H331 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 2.5° | 0.1° |
| C32 | C33 | C34 | O5 | 179.4° | 180.0° |
| C33 | C32 | C37 | C36 | 3.0° | 0.1° |
| C33 | C32 | C37 | H371 | 176.9° | 179.9° |
| C37 | C32 | C33 | C34 | 1.7° | 0.1° |
| C37 | C32 | C33 | H331 | 178.3° | 180.0° |
| C32 | C37 | C36 | C35 | 0.3° | 0.0° |
| C32 | C37 | C36 | H371 | 180.0° | 180.0° |
| C32 | C37 | C36 | H361 | 179.7° | 179.9° |
| H321 | C32 | C33 | C34 | 178.4° | 180.0° |
| H321 | C32 | C33 | H331 | 1.7° | 0.1° |
| H321 | C32 | C37 | C36 | 177.0° | 179.9° |
| H321 | C32 | C37 | H371 | 3.0° | 0.0° |
| C33 | C34 | C35 | O5 | 178.4° | 179.9° |
| C33 | C34 | C35 | C36 | 5.4° | 0.1° |
| C33 | C34 | C35 | C39 | 173.8° | 179.9° |
| C33 | C34 | O5 | C38 | 175.2° | 180.0° |
| H331 | C33 | C34 | C35 | 177.6° | 180.0° |
| H331 | C33 | C34 | O5 | 0.6° | 0.1° |
| C34 | C35 | C36 | C39 | 179.0° | 179.7° |
| C34 | C35 | C36 | C37 | 3.8° | 0.0° |
| C34 | C35 | C36 | H361 | 176.2° | 179.9° |
| C35 | C34 | O5 | C38 | 3.1° | 0.1° |
| C34 | C35 | C39 | C38 | 3.8° | 0.3° |
| C34 | C35 | C39 | H391 | 176.3° | 179.7° |
| O5 | C34 | C35 | C36 | 176.2° | 180.0° |
| O5 | C34 | C35 | C39 | 4.6° | 0.2° |
| C34 | O5 | C38 | C39 | 0.6° | 0.1° |
| C35 | C36 | C37 | H361 | 180.0° | 179.9° |
| C35 | C36 | C37 | H371 | 179.7° | 179.9° |
| C36 | C35 | C39 | C38 | 177.1° | 179.9° |
| C36 | C35 | C39 | H391 | 2.8° | 0.0° |
| C39 | C35 | C36 | C37 | 175.2° | 179.7° |
| C39 | C35 | C36 | H361 | 4.8° | 0.2° |
| C35 | C39 | C38 | O5 | 1.9° | 0.3° |
| C35 | C39 | C38 | H391 | 180.0° | 180.0° |
| H361 | C36 | C37 | H371 | 0.3° | 0.1° |
| O5 | C38 | C39 | H391 | 178.1° | 179.8° |
