C35
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C37 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C37 | C32 | doub | 1.39Å | 1.39Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C36 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C35 | CL | sing | 1.74Å | 1.72Å | |
| C35 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C33 | C32 | sing | 1.39Å | 1.39Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C32 | N10 | sing | 1.40Å | 1.32Å | Aromatic |
| N10 | N9 | sing | 1.29Å | 1.23Å | Aromatic |
| N10 | C30 | sing | 1.35Å | 1.33Å | Aromatic |
| N9 | C29 | doub | 1.32Å | 1.33Å | Aromatic |
| C30 | C31 | sing | 1.51Å | 1.54Å | |
| C30 | N11 | doub | 1.31Å | 1.33Å | Aromatic |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| N11 | C29 | sing | 1.35Å | 1.34Å | Aromatic |
| C29 | C28 | sing | 1.48Å | 1.53Å | |
| C28 | O5 | doub | 1.22Å | 1.24Å | |
| C28 | N8 | sing | 1.35Å | 1.34Å | |
| N8 | C23 | sing | 1.47Å | 1.47Å | |
| N8 | H8 | sing | 0.97Å | 1.00Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C22 | sing | 1.51Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | N5 | sing | 1.47Å | 1.48Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| N5 | C27 | doub | 1.30Å | 1.34Å | |
| C27 | N6 | sing | 1.37Å | 1.33Å | |
| C27 | N7 | sing | 1.37Å | 1.33Å | |
| N6 | H6N1 | sing | 0.97Å | 1.00Å | |
| N6 | H6N2 | sing | 0.97Å | 1.00Å | |
| N7 | H7N1 | sing | 0.97Å | 1.00Å | |
| N7 | H7N2 | sing | 0.97Å | 1.00Å | |
| C22 | O4 | doub | 1.21Å | 1.23Å | |
| C22 | N4 | sing | 1.35Å | 1.33Å | |
| N4 | C17 | sing | 1.46Å | 1.47Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.51Å | 1.52Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C16 | O3 | doub | 1.21Å | 1.23Å | |
| C16 | N3 | sing | 1.35Å | 1.34Å | |
| N3 | C11 | sing | 1.47Å | 1.48Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | C10 | sing | 1.51Å | 1.51Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | C15 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H143 | sing | 1.09Å | 1.10Å | |
| C10 | O2 | doub | 1.21Å | 1.23Å | |
| C10 | N2 | sing | 1.35Å | 1.33Å | |
| N2 | C8 | sing | 1.46Å | 1.47Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C8 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C8 | HA | sing | 1.09Å | 1.10Å | |
| C9 | O1 | doub | 1.21Å | 1.23Å | |
| C9 | N1 | sing | 1.35Å | 1.33Å | |
| N1 | H1N1 | sing | 0.97Å | 1.00Å | |
| N1 | H1N2 | sing | 0.97Å | 1.00Å | |
| C7 | C6 | sing | 1.51Å | 1.52Å | |
| C7 | H7C1 | sing | 1.09Å | 1.10Å | |
| C7 | H7C2 | sing | 1.09Å | 1.10Å | |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | C1 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | HC | sing | 1.08Å | 1.08Å | |
| C1 | F1 | sing | 1.35Å | 1.35Å | |
| C1 | C2 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | HD | sing | 1.08Å | 1.08Å | |
| C3 | HB | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C36 | C37 | C32 | 117.8° | 119.9° |
| C36 | C37 | H37 | 121.1° | 120.1° |
| C37 | C36 | C35 | 119.6° | 120.1° |
| C37 | C36 | H36 | 120.2° | 120.0° |
| C32 | C37 | H37 | 121.1° | 120.0° |
| C37 | C32 | C33 | 122.2° | 119.9° |
| C37 | C32 | N10 | 120.6° | 120.0° |
| C35 | C36 | H36 | 120.2° | 120.0° |
| C36 | C35 | CL | 119.7° | 119.9° |
| C36 | C35 | C34 | 122.7° | 120.1° |
| CL | C35 | C34 | 117.5° | 119.9° |
| C35 | C34 | C33 | 117.4° | 120.0° |
| C35 | C34 | H34 | 121.3° | 120.0° |
| C33 | C34 | H34 | 121.3° | 120.0° |
| C34 | C33 | C32 | 120.3° | 120.0° |
| C34 | C33 | H33 | 119.9° | 120.0° |
| C32 | C33 | H33 | 119.9° | 120.0° |
| C33 | C32 | N10 | 116.9° | 120.1° |
| C32 | N10 | N9 | 123.1° | 125.8° |
| C32 | N10 | C30 | 124.0° | 125.8° |
| N9 | N10 | C30 | 112.6° | 108.4° |
| N10 | N9 | C29 | 106.2° | 108.7° |
| N10 | C30 | C31 | 125.6° | 126.2° |
| N10 | C30 | N11 | 106.4° | 107.6° |
| N9 | C29 | N11 | 109.7° | 107.9° |
| N9 | C29 | C28 | 121.7° | 126.0° |
| C31 | C30 | N11 | 128.0° | 126.3° |
| C30 | C31 | H311 | 109.5° | 109.5° |
| C30 | C31 | H312 | 109.4° | 109.4° |
| C30 | C31 | H313 | 109.5° | 109.5° |
| C30 | N11 | C29 | 105.1° | 107.3° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H311 | C31 | H313 | 109.5° | 109.5° |
| H312 | C31 | H313 | 109.5° | 109.4° |
| N11 | C29 | C28 | 128.6° | 126.0° |
| C29 | C28 | O5 | 119.2° | 120.0° |
| C29 | C28 | N8 | 117.2° | 120.0° |
| O5 | C28 | N8 | 123.5° | 120.0° |
| C28 | N8 | C23 | 119.2° | 120.0° |
| C28 | N8 | H8 | 120.4° | 120.0° |
| C23 | N8 | H8 | 120.4° | 120.0° |
| N8 | C23 | C24 | 109.7° | 109.4° |
| N8 | C23 | C22 | 107.8° | 109.4° |
| N8 | C23 | H23 | 110.4° | 109.5° |
| C24 | C23 | C22 | 109.2° | 109.5° |
| C24 | C23 | H23 | 108.9° | 109.4° |
| C23 | C24 | C25 | 113.3° | 109.5° |
| C23 | C24 | H241 | 108.2° | 109.5° |
| C23 | C24 | H242 | 107.4° | 109.5° |
| C22 | C23 | H23 | 110.8° | 109.5° |
| C23 | C22 | O4 | 119.9° | 120.0° |
| C23 | C22 | N4 | 116.5° | 120.0° |
| C25 | C24 | H241 | 108.2° | 109.5° |
| C25 | C24 | H242 | 107.3° | 109.5° |
| C24 | C25 | C26 | 110.1° | 109.5° |
| C24 | C25 | H251 | 109.2° | 109.4° |
| C24 | C25 | H252 | 109.1° | 109.4° |
| H241 | C24 | H242 | 112.5° | 109.4° |
| C26 | C25 | H251 | 109.3° | 109.5° |
| C26 | C25 | H252 | 109.1° | 109.5° |
| C25 | C26 | N5 | 111.4° | 109.4° |
| C25 | C26 | H261 | 108.8° | 109.5° |
| C25 | C26 | H262 | 108.4° | 109.5° |
| H251 | C25 | H252 | 110.0° | 109.5° |
| N5 | C26 | H261 | 108.8° | 109.4° |
| N5 | C26 | H262 | 108.4° | 109.5° |
| C26 | N5 | C27 | 119.8° | 120.0° |
| H261 | C26 | H262 | 111.0° | 109.5° |
| N5 | C27 | N6 | 120.8° | 120.0° |
| N5 | C27 | N7 | 120.0° | 120.0° |
| N6 | C27 | N7 | 119.2° | 120.0° |
| C27 | N6 | H6N1 | 110.7° | 120.0° |
| C27 | N6 | H6N2 | 124.7° | 120.0° |
| C27 | N7 | H7N1 | 110.7° | 120.0° |
| C27 | N7 | H7N2 | 124.7° | 120.0° |
| H6N1 | N6 | H6N2 | 124.6° | 120.0° |
| H7N1 | N7 | H7N2 | 124.6° | 120.0° |
| O4 | C22 | N4 | 123.6° | 120.0° |
| C22 | N4 | C17 | 122.7° | 120.0° |
| C22 | N4 | H4 | 118.6° | 120.0° |
| C17 | N4 | H4 | 118.6° | 120.0° |
| N4 | C17 | C18 | 109.8° | 109.5° |
| N4 | C17 | C16 | 107.5° | 109.5° |
| N4 | C17 | H17 | 109.8° | 109.5° |
| C18 | C17 | C16 | 107.2° | 109.5° |
| C18 | C17 | H17 | 110.1° | 109.5° |
| C17 | C18 | C19 | 110.6° | 109.5° |
| C17 | C18 | H181 | 109.1° | 109.5° |
| C17 | C18 | H182 | 108.8° | 109.5° |
| C16 | C17 | H17 | 112.3° | 109.5° |
| C17 | C16 | O3 | 117.4° | 120.0° |
| C17 | C16 | N3 | 119.1° | 120.0° |
| C19 | C18 | H181 | 109.1° | 109.5° |
| C19 | C18 | H182 | 108.8° | 109.5° |
| C18 | C19 | C20 | 112.3° | 109.5° |
| C18 | C19 | C21 | 113.7° | 109.5° |
| C18 | C19 | H19 | 104.6° | 109.4° |
| H181 | C18 | H182 | 110.4° | 109.5° |
| C20 | C19 | C21 | 110.1° | 109.5° |
| C20 | C19 | H19 | 108.6° | 109.4° |
| C19 | C20 | H201 | 109.5° | 109.5° |
| C19 | C20 | H202 | 109.5° | 109.5° |
| C19 | C20 | H203 | 109.5° | 109.4° |
| C21 | C19 | H19 | 107.1° | 109.5° |
| C19 | C21 | H211 | 109.5° | 109.5° |
| C19 | C21 | H212 | 109.4° | 109.5° |
| C19 | C21 | H213 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.4° | 109.5° |
| H202 | C20 | H203 | 109.5° | 109.4° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H211 | C21 | H213 | 109.5° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| O3 | C16 | N3 | 123.5° | 120.0° |
| C16 | N3 | C11 | 119.4° | 120.0° |
| C16 | N3 | H3 | 120.3° | 120.0° |
| C11 | N3 | H3 | 120.3° | 120.0° |
| N3 | C11 | C12 | 117.0° | 109.4° |
| N3 | C11 | C10 | 103.9° | 109.5° |
| N3 | C11 | H11 | 108.2° | 109.5° |
| C12 | C11 | C10 | 109.1° | 109.5° |
| C12 | C11 | H11 | 103.0° | 109.4° |
| C11 | C12 | C15 | 110.5° | 109.5° |
| C11 | C12 | C13 | 111.8° | 109.5° |
| C11 | C12 | H12 | 106.6° | 109.5° |
| C10 | C11 | H11 | 116.2° | 109.5° |
| C11 | C10 | O2 | 117.6° | 120.0° |
| C11 | C10 | N2 | 115.7° | 120.0° |
| C15 | C12 | C13 | 107.9° | 109.4° |
| C15 | C12 | H12 | 110.6° | 109.5° |
| C12 | C15 | H151 | 109.5° | 109.5° |
| C12 | C15 | H152 | 109.4° | 109.5° |
| C12 | C15 | H153 | 109.5° | 109.4° |
| C13 | C12 | H12 | 109.4° | 109.5° |
| C12 | C13 | C14 | 111.9° | 109.5° |
| C12 | C13 | H131 | 108.7° | 109.5° |
| C12 | C13 | H132 | 108.2° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.4° | 109.4° |
| H152 | C15 | H153 | 109.5° | 109.5° |
| C14 | C13 | H131 | 108.7° | 109.4° |
| C14 | C13 | H132 | 108.2° | 109.5° |
| C13 | C14 | H141 | 109.5° | 109.5° |
| C13 | C14 | H142 | 109.5° | 109.4° |
| C13 | C14 | H143 | 109.5° | 109.5° |
| H131 | C13 | H132 | 111.3° | 109.4° |
| H141 | C14 | H142 | 109.4° | 109.4° |
| H141 | C14 | H143 | 109.4° | 109.5° |
| H142 | C14 | H143 | 109.5° | 109.6° |
| O2 | C10 | N2 | 126.6° | 120.0° |
| C10 | N2 | C8 | 122.3° | 120.0° |
| C10 | N2 | H2 | 118.8° | 120.0° |
| C8 | N2 | H2 | 118.8° | 120.0° |
| N2 | C8 | C9 | 112.4° | 109.5° |
| N2 | C8 | C7 | 110.7° | 109.5° |
| N2 | C8 | HA | 106.4° | 109.5° |
| C9 | C8 | C7 | 108.5° | 109.5° |
| C9 | C8 | HA | 108.6° | 109.4° |
| C8 | C9 | O1 | 119.2° | 120.0° |
| C8 | C9 | N1 | 116.6° | 120.0° |
| C7 | C8 | HA | 110.4° | 109.4° |
| C8 | C7 | C6 | 110.4° | 109.5° |
| C8 | C7 | H7C1 | 109.2° | 109.5° |
| C8 | C7 | H7C2 | 109.0° | 109.5° |
| O1 | C9 | N1 | 124.1° | 120.0° |
| C9 | N1 | H1N1 | 109.4° | 120.0° |
| C9 | N1 | H1N2 | 125.3° | 120.0° |
| H1N1 | N1 | H1N2 | 125.2° | 120.0° |
| C6 | C7 | H7C1 | 109.2° | 109.4° |
| C6 | C7 | H7C2 | 108.9° | 109.5° |
| C7 | C6 | C5 | 122.6° | 120.0° |
| C7 | C6 | C3 | 116.8° | 120.0° |
| H7C1 | C7 | H7C2 | 110.2° | 109.5° |
| C5 | C6 | C3 | 120.5° | 120.0° |
| C6 | C5 | C4 | 118.0° | 120.0° |
| C6 | C5 | H5 | 121.0° | 119.9° |
| C6 | C3 | C2 | 121.1° | 120.0° |
| C6 | C3 | HB | 119.4° | 120.0° |
| C4 | C5 | H5 | 121.0° | 120.0° |
| C5 | C4 | C1 | 121.5° | 120.0° |
| C5 | C4 | HC | 119.3° | 120.0° |
| C1 | C4 | HC | 119.3° | 120.0° |
| C4 | C1 | F1 | 122.9° | 120.0° |
| C4 | C1 | C2 | 119.9° | 120.0° |
| F1 | C1 | C2 | 117.2° | 120.0° |
| C1 | C2 | C3 | 118.9° | 119.9° |
| C1 | C2 | HD | 120.5° | 120.0° |
| C3 | C2 | HD | 120.6° | 120.0° |
| C2 | C3 | HB | 119.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C36 | C37 | C32 | H37 | 180.0° | 179.7° |
| C37 | C36 | C35 | H36 | 180.0° | 180.0° |
| C37 | C36 | C35 | CL | 179.2° | 180.0° |
| C37 | C36 | C35 | C34 | 1.0° | 0.0° |
| C36 | C37 | C32 | C33 | 3.3° | 0.0° |
| C36 | C37 | C32 | N10 | 176.8° | 180.0° |
| C32 | C37 | C36 | C35 | 2.5° | 0.0° |
| C32 | C37 | C36 | H36 | 177.5° | 180.0° |
| C37 | C32 | C33 | C34 | 2.5° | 0.0° |
| C37 | C32 | C33 | N10 | 173.7° | 180.0° |
| C37 | C32 | C33 | H33 | 177.5° | 180.0° |
| C37 | C32 | N10 | N9 | 41.7° | 35.0° |
| C37 | C32 | N10 | C30 | 145.2° | 144.7° |
| H37 | C37 | C36 | C35 | 177.6° | 179.7° |
| H37 | C37 | C36 | H36 | 2.5° | 0.3° |
| H37 | C37 | C32 | C33 | 176.8° | 179.7° |
| H37 | C37 | C32 | N10 | 3.2° | 0.3° |
| C36 | C35 | CL | C34 | 178.3° | 180.0° |
| C36 | C35 | C34 | C33 | 0.2° | 0.0° |
| C36 | C35 | C34 | H34 | 179.8° | 180.0° |
| H36 | C36 | C35 | CL | 0.8° | 0.0° |
| H36 | C36 | C35 | C34 | 179.0° | 180.0° |
| CL | C35 | C34 | C33 | 178.4° | 180.0° |
| CL | C35 | C34 | H34 | 1.6° | 0.0° |
| C35 | C34 | C33 | H34 | 180.0° | 180.0° |
| C35 | C34 | C33 | C32 | 0.9° | 0.0° |
| C35 | C34 | C33 | H33 | 179.1° | 180.0° |
| C34 | C33 | C32 | H33 | 180.0° | 180.0° |
| C34 | C33 | C32 | N10 | 176.3° | 180.0° |
| H34 | C34 | C33 | C32 | 179.1° | 180.0° |
| H34 | C34 | C33 | H33 | 0.9° | 0.0° |
| C33 | C32 | N10 | N9 | 132.1° | 145.0° |
| C33 | C32 | N10 | C30 | 40.9° | 35.3° |
| H33 | C33 | C32 | N10 | 3.8° | 0.0° |
| C32 | N10 | N9 | C30 | 173.7° | 179.8° |
| C32 | N10 | N9 | C29 | 175.4° | 180.0° |
| C32 | N10 | C30 | C31 | 6.5° | 0.0° |
| C32 | N10 | C30 | N11 | 174.8° | 179.9° |
| N9 | N10 | C30 | C31 | 179.8° | 179.8° |
| N9 | N10 | C30 | N11 | 1.1° | 0.2° |
| N10 | N9 | C29 | N11 | 1.6° | 0.1° |
| N10 | N9 | C29 | C28 | 179.7° | 180.0° |
| C30 | N10 | N9 | C29 | 1.7° | 0.2° |
| N10 | C30 | C31 | N11 | 178.4° | 180.0° |
| N10 | C30 | C31 | H311 | 11.4° | 90.0° |
| N10 | C30 | C31 | H312 | 131.4° | 150.0° |
| N10 | C30 | C31 | H313 | 108.6° | 30.0° |
| N10 | C30 | N11 | C29 | 0.0° | 0.2° |
| N9 | C29 | N11 | C30 | 1.0° | 0.0° |
| N9 | C29 | N11 | C28 | 178.5° | 179.9° |
| N9 | C29 | C28 | O5 | 17.1° | 0.1° |
| N9 | C29 | C28 | N8 | 165.2° | 180.0° |
| C30 | C31 | H311 | H312 | 120.0° | 120.0° |
| C30 | C31 | H311 | H313 | 120.0° | 120.0° |
| C30 | C31 | H312 | H313 | 120.0° | 120.0° |
| C31 | C30 | N11 | C29 | 178.7° | 179.9° |
| N11 | C30 | C31 | H311 | 167.0° | 90.0° |
| N11 | C30 | C31 | H312 | 47.0° | 30.0° |
| N11 | C30 | C31 | H313 | 73.0° | 150.0° |
| C30 | N11 | C29 | C28 | 179.5° | 179.9° |
| H311 | C31 | H312 | H313 | 120.0° | 120.1° |
| N11 | C29 | C28 | O5 | 161.3° | 179.9° |
| N11 | C29 | C28 | N8 | 16.4° | 0.1° |
| C29 | C28 | O5 | N8 | 177.5° | 179.9° |
| C29 | C28 | N8 | C23 | 179.0° | 180.0° |
| C29 | C28 | N8 | H8 | 1.0° | 0.1° |
| O5 | C28 | N8 | C23 | 1.4° | 0.0° |
| O5 | C28 | N8 | H8 | 178.6° | 180.0° |
| C28 | N8 | C23 | H8 | 180.0° | 179.9° |
| C28 | N8 | C23 | C24 | 175.4° | 85.0° |
| C28 | N8 | C23 | C22 | 56.7° | 155.0° |
| C28 | N8 | C23 | H23 | 64.5° | 35.0° |
| N8 | C23 | C24 | C22 | 117.9° | 120.0° |
| N8 | C23 | C24 | H23 | 120.9° | 120.0° |
| N8 | C23 | C22 | H23 | 120.9° | 120.1° |
| N8 | C23 | C24 | C25 | 142.5° | 65.0° |
| N8 | C23 | C24 | H241 | 22.5° | 55.0° |
| N8 | C23 | C24 | H242 | 99.1° | 175.0° |
| N8 | C23 | C22 | O4 | 57.8° | 0.0° |
| N8 | C23 | C22 | N4 | 122.2° | 180.0° |
| H8 | N8 | C23 | C24 | 4.6° | 95.0° |
| H8 | N8 | C23 | C22 | 123.4° | 24.9° |
| H8 | N8 | C23 | H23 | 115.5° | 145.0° |
| C24 | C23 | C22 | H23 | 120.0° | 120.0° |
| C23 | C24 | C25 | H241 | 120.0° | 120.0° |
| C23 | C24 | C25 | H242 | 118.3° | 120.1° |
| C23 | C24 | H241 | H242 | 118.5° | 120.0° |
| C23 | C24 | C25 | C26 | 123.5° | 180.0° |
| C23 | C24 | C25 | H251 | 3.5° | 60.0° |
| C23 | C24 | C25 | H252 | 116.7° | 60.0° |
| C24 | C23 | C22 | O4 | 61.3° | 120.0° |
| C24 | C23 | C22 | N4 | 118.8° | 60.0° |
| C22 | C23 | C24 | C25 | 99.6° | 175.0° |
| C22 | C23 | C24 | H241 | 140.4° | 64.9° |
| C22 | C23 | C24 | H242 | 18.7° | 55.0° |
| C23 | C22 | O4 | N4 | 180.0° | 180.0° |
| C23 | C22 | N4 | C17 | 177.9° | 175.0° |
| C23 | C22 | N4 | H4 | 2.1° | 5.0° |
| H23 | C23 | C24 | C25 | 21.6° | 55.0° |
| H23 | C23 | C24 | H241 | 98.4° | 175.0° |
| H23 | C23 | C24 | H242 | 139.9° | 65.0° |
| H23 | C23 | C22 | O4 | 178.7° | 120.0° |
| H23 | C23 | C22 | N4 | 1.3° | 60.0° |
| C25 | C24 | H241 | H242 | 118.4° | 119.9° |
| C24 | C25 | C26 | H251 | 120.0° | 120.0° |
| C24 | C25 | C26 | H252 | 119.7° | 120.0° |
| C24 | C25 | H251 | H252 | 119.7° | 119.9° |
| C24 | C25 | C26 | N5 | 74.3° | 180.0° |
| C24 | C25 | C26 | H261 | 45.7° | 60.0° |
| C24 | C25 | C26 | H262 | 166.4° | 60.0° |
| H241 | C24 | C25 | C26 | 116.5° | 60.0° |
| H241 | C24 | C25 | H251 | 123.5° | 180.0° |
| H241 | C24 | C25 | H252 | 3.3° | 60.1° |
| H242 | C24 | C25 | C26 | 5.2° | 59.9° |
| H242 | C24 | C25 | H251 | 114.8° | 60.1° |
| H242 | C24 | C25 | H252 | 124.9° | 180.0° |
| C26 | C25 | H251 | H252 | 119.8° | 120.1° |
| C25 | C26 | N5 | H261 | 120.0° | 120.0° |
| C25 | C26 | N5 | H262 | 119.2° | 120.0° |
| C25 | C26 | H261 | H262 | 119.2° | 120.0° |
| C25 | C26 | N5 | C27 | 113.0° | 118.2° |
| H251 | C25 | C26 | N5 | 165.7° | 60.1° |
| H251 | C25 | C26 | H261 | 74.3° | NaN° |
| H251 | C25 | C26 | H262 | 46.5° | 60.0° |
| H252 | C25 | C26 | N5 | 45.4° | 60.0° |
| H252 | C25 | C26 | H261 | 165.4° | 59.9° |
| H252 | C25 | C26 | H262 | 73.8° | 179.9° |
| N5 | C26 | H261 | H262 | 119.2° | 120.0° |
| C26 | N5 | C27 | N6 | 179.5° | 6.4° |
| C26 | N5 | C27 | N7 | 0.8° | 173.5° |
| H261 | C26 | N5 | C27 | 127.0° | 1.8° |
| H262 | C26 | N5 | C27 | 6.2° | 121.8° |
| N5 | C27 | N6 | N7 | 178.7° | 179.9° |
| N5 | C27 | N6 | H6N1 | 180.0° | 7.3° |
| N5 | C27 | N6 | H6N2 | 0.0° | 172.6° |
| N5 | C27 | N7 | H7N1 | 0.6° | 0.1° |
| N5 | C27 | N7 | H7N2 | 179.3° | 180.0° |
| C27 | N6 | H6N1 | H6N2 | 179.9° | 180.0° |
| N6 | C27 | N7 | H7N1 | 179.3° | 179.9° |
| N6 | C27 | N7 | H7N2 | 0.7° | 0.1° |
| N7 | C27 | N6 | H6N1 | 1.4° | 172.7° |
| N7 | C27 | N6 | H6N2 | 178.7° | 7.3° |
| C27 | N7 | H7N1 | H7N2 | 180.0° | 179.9° |
| O4 | C22 | N4 | C17 | 2.1° | 5.0° |
| O4 | C22 | N4 | H4 | 177.9° | 175.0° |
| C22 | N4 | C17 | H4 | 180.0° | 180.0° |
| C22 | N4 | C17 | C18 | 149.8° | 88.5° |
| C22 | N4 | C17 | C16 | 93.8° | 151.6° |
| C22 | N4 | C17 | H17 | 28.6° | 31.5° |
| N4 | C17 | C18 | C16 | 116.5° | 120.0° |
| N4 | C17 | C18 | H17 | 121.0° | 120.0° |
| N4 | C17 | C16 | H17 | 120.9° | 120.1° |
| N4 | C17 | C18 | C19 | 72.3° | 179.2° |
| N4 | C17 | C18 | H181 | 47.7° | 59.3° |
| N4 | C17 | C18 | H182 | 168.2° | 60.8° |
| N4 | C17 | C16 | O3 | 66.6° | 18.7° |
| N4 | C17 | C16 | N3 | 112.4° | 161.3° |
| H4 | N4 | C17 | C18 | 30.1° | 91.5° |
| H4 | N4 | C17 | C16 | 86.2° | 28.4° |
| H4 | N4 | C17 | H17 | 151.4° | 148.5° |
| C18 | C17 | C16 | H17 | 121.1° | 120.0° |
| C17 | C18 | C19 | H181 | 120.0° | 120.0° |
| C17 | C18 | C19 | H182 | 119.5° | 120.0° |
| C17 | C18 | H181 | H182 | 119.5° | 120.0° |
| C17 | C18 | C19 | C20 | 174.6° | 65.8° |
| C17 | C18 | C19 | C21 | 59.5° | 174.1° |
| C17 | C18 | C19 | H19 | 57.0° | 54.1° |
| C18 | C17 | C16 | O3 | 51.4° | 101.3° |
| C18 | C17 | C16 | N3 | 129.5° | 78.7° |
| C16 | C17 | C18 | C19 | 171.1° | 60.8° |
| C16 | C17 | C18 | H181 | 68.9° | 179.2° |
| C16 | C17 | C18 | H182 | 51.6° | 59.2° |
| C17 | C16 | O3 | N3 | 179.0° | 180.0° |
| C17 | C16 | N3 | C11 | 179.7° | 175.1° |
| C17 | C16 | N3 | H3 | 0.3° | 5.0° |
| H17 | C17 | C18 | C19 | 48.7° | 59.2° |
| H17 | C17 | C18 | H181 | 168.7° | 60.8° |
| H17 | C17 | C18 | H182 | 70.8° | 179.2° |
| H17 | C17 | C16 | O3 | 172.5° | 138.7° |
| H17 | C17 | C16 | N3 | 8.5° | 41.2° |
| C19 | C18 | H181 | H182 | 119.5° | 120.0° |
| C18 | C19 | C20 | C21 | 127.8° | 120.1° |
| C18 | C19 | C20 | H19 | 115.2° | 120.0° |
| C18 | C19 | C21 | H19 | 115.0° | 120.0° |
| C18 | C19 | C20 | H201 | 34.5° | 176.0° |
| C18 | C19 | C20 | H202 | 85.5° | 56.0° |
| C18 | C19 | C20 | H203 | 154.5° | 63.9° |
| C18 | C19 | C21 | H211 | 111.3° | 60.0° |
| C18 | C19 | C21 | H212 | 8.7° | 180.0° |
| C18 | C19 | C21 | H213 | 128.7° | 60.0° |
| H181 | C18 | C19 | C20 | 54.6° | 54.2° |
| H181 | C18 | C19 | C21 | 179.6° | 65.9° |
| H181 | C18 | C19 | H19 | 63.0° | 174.1° |
| H182 | C18 | C19 | C20 | 65.9° | 174.2° |
| H182 | C18 | C19 | C21 | 60.0° | 54.1° |
| H182 | C18 | C19 | H19 | 176.5° | 65.9° |
| C20 | C19 | C21 | H19 | 118.0° | 120.0° |
| C19 | C20 | H201 | H202 | 120.1° | 120.0° |
| C19 | C20 | H201 | H203 | 120.0° | 120.0° |
| C19 | C20 | H202 | H203 | 120.0° | 119.9° |
| C20 | C19 | C21 | H211 | 15.7° | 180.0° |
| C20 | C19 | C21 | H212 | 135.7° | 60.0° |
| C20 | C19 | C21 | H213 | 104.3° | 60.0° |
| C21 | C19 | C20 | H201 | 162.3° | 63.9° |
| C21 | C19 | C20 | H202 | 42.3° | 176.1° |
| C21 | C19 | C20 | H203 | 77.7° | 56.2° |
| C19 | C21 | H211 | H212 | 120.0° | 120.0° |
| C19 | C21 | H211 | H213 | 120.0° | 120.0° |
| C19 | C21 | H212 | H213 | 120.0° | 120.0° |
| H19 | C19 | C20 | H201 | 80.7° | 56.1° |
| H19 | C19 | C20 | H202 | 159.3° | 64.0° |
| H19 | C19 | C20 | H203 | 39.3° | 176.2° |
| H19 | C19 | C21 | H211 | 133.7° | 60.0° |
| H19 | C19 | C21 | H212 | 106.3° | 60.0° |
| H19 | C19 | C21 | H213 | 13.7° | 180.0° |
| H201 | C20 | H202 | H203 | 119.9° | 120.1° |
| H211 | C21 | H212 | H213 | 120.0° | 120.0° |
| O3 | C16 | N3 | C11 | 1.3° | 4.9° |
| O3 | C16 | N3 | H3 | 178.7° | 175.0° |
| C16 | N3 | C11 | H3 | 180.0° | 179.9° |
| C16 | N3 | C11 | C12 | 145.8° | 88.2° |
| C16 | N3 | C11 | C10 | 94.0° | 151.7° |
| C16 | N3 | C11 | H11 | 30.1° | 31.7° |
| N3 | C11 | C12 | C10 | 117.5° | 120.0° |
| N3 | C11 | C12 | H11 | 118.5° | 120.0° |
| N3 | C11 | C10 | H11 | 118.7° | 120.0° |
| N3 | C11 | C12 | C15 | 144.0° | 65.8° |
| N3 | C11 | C12 | C13 | 95.8° | 174.3° |
| N3 | C11 | C12 | H12 | 23.7° | 54.2° |
| N3 | C11 | C10 | O2 | 60.8° | 19.3° |
| N3 | C11 | C10 | N2 | 116.2° | 160.6° |
| H3 | N3 | C11 | C12 | 34.2° | 91.8° |
| H3 | N3 | C11 | C10 | 86.0° | 28.2° |
| H3 | N3 | C11 | H11 | 149.8° | 148.2° |
| C12 | C11 | C10 | H11 | 115.8° | 120.0° |
| C11 | C12 | C15 | C13 | 122.5° | 120.0° |
| C11 | C12 | C15 | H12 | 117.9° | 120.0° |
| C11 | C12 | C13 | H12 | 117.9° | 120.0° |
| C11 | C12 | C15 | H151 | 84.0° | 55.4° |
| C11 | C12 | C15 | H152 | 36.0° | 175.5° |
| C11 | C12 | C15 | H153 | 156.0° | 64.5° |
| C11 | C12 | C13 | C14 | 97.7° | 66.7° |
| C11 | C12 | C13 | H131 | 142.3° | 173.3° |
| C11 | C12 | C13 | H132 | 21.3° | 53.3° |
| C12 | C11 | C10 | O2 | 64.7° | 100.7° |
| C12 | C11 | C10 | N2 | 118.3° | 79.4° |
| C10 | C11 | C12 | C15 | 26.5° | 54.3° |
| C10 | C11 | C12 | C13 | 146.7° | 65.7° |
| C10 | C11 | C12 | H12 | 93.8° | 174.2° |
| C11 | C10 | O2 | N2 | 176.7° | 179.9° |
| C11 | C10 | N2 | C8 | 175.8° | 174.7° |
| C11 | C10 | N2 | H2 | 4.2° | 5.4° |
| H11 | C11 | C12 | C15 | 97.5° | 174.3° |
| H11 | C11 | C12 | C13 | 22.7° | 54.3° |
| H11 | C11 | C12 | H12 | 142.2° | 65.8° |
| H11 | C11 | C10 | O2 | 179.5° | 139.3° |
| H11 | C11 | C10 | N2 | 2.5° | 40.6° |
| C15 | C12 | C13 | H12 | 120.4° | 120.0° |
| C12 | C15 | H151 | H152 | 120.0° | 120.0° |
| C12 | C15 | H151 | H153 | 120.0° | 119.9° |
| C12 | C15 | H152 | H153 | 120.0° | 120.0° |
| C15 | C12 | C13 | C14 | 140.6° | 173.4° |
| C15 | C12 | C13 | H131 | 20.6° | 53.4° |
| C15 | C12 | C13 | H132 | 100.4° | 66.6° |
| C13 | C12 | C15 | H151 | 153.5° | 64.6° |
| C13 | C12 | C15 | H152 | 86.5° | 55.5° |
| C13 | C12 | C15 | H153 | 33.5° | 175.5° |
| C12 | C13 | C14 | H131 | 120.0° | 120.0° |
| C12 | C13 | C14 | H132 | 119.0° | 120.1° |
| C12 | C13 | H131 | H132 | 119.0° | 120.1° |
| C12 | C13 | C14 | H141 | 7.9° | 174.8° |
| C12 | C13 | C14 | H142 | 112.0° | 65.3° |
| C12 | C13 | C14 | H143 | 127.9° | 54.8° |
| H12 | C12 | C15 | H151 | 33.9° | 175.4° |
| H12 | C12 | C15 | H152 | 153.9° | 64.5° |
| H12 | C12 | C15 | H153 | 86.1° | 55.5° |
| H12 | C12 | C13 | C14 | 20.1° | 53.4° |
| H12 | C12 | C13 | H131 | 99.8° | 66.6° |
| H12 | C12 | C13 | H132 | 139.1° | 173.4° |
| H151 | C15 | H152 | H153 | 120.0° | 120.0° |
| C14 | C13 | H131 | H132 | 119.0° | 120.0° |
| C13 | C14 | H141 | H142 | 120.0° | 119.9° |
| C13 | C14 | H141 | H143 | 120.0° | 120.0° |
| C13 | C14 | H142 | H143 | 120.0° | 120.0° |
| H131 | C13 | C14 | H141 | 127.9° | 54.8° |
| H131 | C13 | C14 | H142 | 8.0° | 174.7° |
| H131 | C13 | C14 | H143 | 112.1° | 65.2° |
| H132 | C13 | C14 | H141 | 111.1° | 65.1° |
| H132 | C13 | C14 | H142 | 129.0° | 54.8° |
| H132 | C13 | C14 | H143 | 8.9° | 174.9° |
| H141 | C14 | H142 | H143 | 120.0° | 120.0° |
| O2 | C10 | N2 | C8 | 0.9° | 5.2° |
| O2 | C10 | N2 | H2 | 179.1° | 174.7° |
| C10 | N2 | C8 | H2 | 180.0° | 179.9° |
| C10 | N2 | C8 | C9 | 88.4° | 84.9° |
| C10 | N2 | C8 | C7 | 150.1° | 155.0° |
| C10 | N2 | C8 | HA | 30.2° | 35.1° |
| N2 | C8 | C9 | C7 | 122.7° | 120.0° |
| N2 | C8 | C9 | HA | 117.4° | 120.0° |
| N2 | C8 | C7 | HA | 117.4° | 120.0° |
| N2 | C8 | C9 | O1 | 123.0° | 0.0° |
| N2 | C8 | C9 | N1 | 60.0° | 180.0° |
| N2 | C8 | C7 | C6 | 72.9° | 65.0° |
| N2 | C8 | C7 | H7C1 | 47.0° | 55.0° |
| N2 | C8 | C7 | H7C2 | 167.4° | 175.0° |
| H2 | N2 | C8 | C9 | 91.6° | 95.0° |
| H2 | N2 | C8 | C7 | 29.8° | 25.0° |
| H2 | N2 | C8 | HA | 149.7° | 145.0° |
| C9 | C8 | C7 | HA | 118.8° | 119.9° |
| C8 | C9 | O1 | N1 | 176.7° | 179.9° |
| C8 | C9 | N1 | H1N1 | 1.3° | 0.0° |
| C8 | C9 | N1 | H1N2 | 178.7° | 180.0° |
| C9 | C8 | C7 | C6 | 163.3° | 175.0° |
| C9 | C8 | C7 | H7C1 | 76.7° | 65.1° |
| C9 | C8 | C7 | H7C2 | 43.7° | 55.0° |
| C7 | C8 | C9 | O1 | 114.3° | 120.0° |
| C7 | C8 | C9 | N1 | 62.7° | 59.9° |
| C8 | C7 | C6 | H7C1 | 120.0° | 120.0° |
| C8 | C7 | C6 | H7C2 | 119.6° | 120.0° |
| C8 | C7 | H7C1 | H7C2 | 119.6° | 120.0° |
| C8 | C7 | C6 | C5 | 114.0° | 90.0° |
| C8 | C7 | C6 | C3 | 63.1° | 90.3° |
| HA | C8 | C9 | O1 | 5.7° | 120.1° |
| HA | C8 | C9 | N1 | 177.4° | 60.0° |
| HA | C8 | C7 | C6 | 44.5° | 55.1° |
| HA | C8 | C7 | H7C1 | 164.5° | 175.0° |
| HA | C8 | C7 | H7C2 | 75.1° | 65.0° |
| O1 | C9 | N1 | H1N1 | 178.1° | 180.0° |
| O1 | C9 | N1 | H1N2 | 1.9° | 0.0° |
| C9 | N1 | H1N1 | H1N2 | 180.0° | 180.0° |
| C6 | C7 | H7C1 | H7C2 | 119.6° | 120.0° |
| C7 | C6 | C5 | C3 | 177.0° | 179.8° |
| C7 | C6 | C5 | C4 | 179.1° | 179.9° |
| C7 | C6 | C5 | H5 | 0.8° | 0.0° |
| C7 | C6 | C3 | C2 | 178.5° | 179.7° |
| C7 | C6 | C3 | HB | 1.5° | 0.1° |
| H7C1 | C7 | C6 | C5 | 6.0° | 30.0° |
| H7C1 | C7 | C6 | C3 | 176.9° | 149.8° |
| H7C2 | C7 | C6 | C5 | 126.4° | 150.0° |
| H7C2 | C7 | C6 | C3 | 56.5° | 29.8° |
| C6 | C5 | C4 | H5 | 180.0° | 179.9° |
| C6 | C5 | C4 | C1 | 0.9° | 0.0° |
| C6 | C5 | C4 | HC | 179.0° | 180.0° |
| C5 | C6 | C3 | C2 | 4.3° | 0.5° |
| C5 | C6 | C3 | HB | 175.6° | 179.7° |
| C3 | C6 | C5 | C4 | 2.1° | 0.3° |
| C3 | C6 | C5 | H5 | 177.8° | 179.8° |
| C6 | C3 | C2 | C1 | 3.3° | 0.5° |
| C6 | C3 | C2 | HB | 180.0° | 179.9° |
| C6 | C3 | C2 | HD | 176.6° | 179.7° |
| C5 | C4 | C1 | HC | 180.0° | 180.0° |
| C5 | C4 | C1 | F1 | 178.7° | 180.0° |
| C5 | C4 | C1 | C2 | 1.9° | 0.0° |
| H5 | C5 | C4 | C1 | 179.1° | 180.0° |
| H5 | C5 | C4 | HC | 0.9° | 0.0° |
| C4 | C1 | F1 | C2 | 176.9° | 180.0° |
| C4 | C1 | C2 | C3 | 0.2° | 0.3° |
| C4 | C1 | C2 | HD | 179.7° | 180.0° |
| HC | C4 | C1 | F1 | 1.2° | 0.0° |
| HC | C4 | C1 | C2 | 178.1° | 180.0° |
| F1 | C1 | C2 | C3 | 176.8° | 179.7° |
| F1 | C1 | C2 | HD | 3.2° | 0.0° |
| C1 | C2 | C3 | HD | 180.0° | 179.8° |
| C1 | C2 | C3 | HB | 176.6° | 179.7° |
| HD | C2 | C3 | HB | 3.4° | 0.1° |
