400
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | doub | 1.31Å | 1.36Å | Aromatic |
| C1 | C4 | sing | 1.42Å | 1.40Å | Aromatic |
| C1 | N9 | sing | 1.40Å | 1.34Å | |
| N2 | N3 | sing | 1.40Å | 1.32Å | Aromatic |
| N3 | C5 | sing | 1.39Å | 1.36Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | S8 | sing | 1.76Å | 1.75Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | doub | 1.35Å | 1.42Å | Aromatic |
| C7 | S8 | sing | 1.76Å | 1.76Å | Aromatic |
| C7 | C25 | sing | 1.47Å | 1.44Å | |
| N9 | C10 | sing | 1.35Å | 1.38Å | |
| C10 | C11 | sing | 1.48Å | 1.47Å | |
| C10 | O12 | doub | 1.22Å | 1.28Å | |
| C11 | C13 | sing | 1.40Å | 1.44Å | Aromatic |
| C11 | C17 | doub | 1.40Å | 1.45Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.42Å | Aromatic |
| C14 | C15 | sing | 1.39Å | 1.46Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.44Å | Aromatic |
| C15 | N18 | sing | 1.39Å | 1.40Å | |
| C16 | C17 | sing | 1.38Å | 1.42Å | Aromatic |
| N18 | C19 | sing | 1.47Å | 1.52Å | |
| N18 | C23 | sing | 1.47Å | 1.48Å | |
| C19 | C20 | sing | 1.53Å | 1.58Å | |
| C20 | N21 | sing | 1.47Å | 1.54Å | |
| N21 | C22 | sing | 1.47Å | 1.51Å | |
| N21 | C24 | sing | 1.47Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C25 | O26 | doub | 1.22Å | 1.26Å | |
| C25 | N27 | sing | 1.35Å | 1.35Å | |
| N27 | C28 | sing | 1.46Å | 1.44Å | |
| C28 | C29 | sing | 1.51Å | 1.51Å | |
| C28 | C30 | sing | 1.53Å | 1.55Å | |
| C29 | C31 | sing | 1.38Å | 1.48Å | Aromatic |
| C29 | C35 | doub | 1.38Å | 1.45Å | Aromatic |
| C30 | C36 | sing | 1.53Å | 1.56Å | |
| C31 | C32 | doub | 1.38Å | 1.45Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.44Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.46Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.45Å | Aromatic |
| N9 | H9 | sing | 0.97Å | 1.00Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| N27 | H27 | sing | 0.97Å | 1.00Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C4 | 106.5° | 108.6° |
| N2 | C1 | N9 | 119.5° | 125.7° |
| C1 | N2 | N3 | 110.5° | 109.3° |
| C4 | C1 | N9 | 134.0° | 125.7° |
| C1 | C4 | C5 | 106.5° | 107.7° |
| C1 | C4 | S8 | 140.2° | 142.4° |
| C1 | N9 | C10 | 131.0° | 120.0° |
| C1 | N9 | H9 | 114.5° | 120.0° |
| N2 | N3 | C5 | 108.5° | 108.0° |
| N2 | N3 | H3 | 125.8° | 126.0° |
| N3 | C5 | C4 | 108.0° | 106.4° |
| N3 | C5 | C6 | 138.5° | 140.2° |
| C5 | N3 | H3 | 125.7° | 126.0° |
| C5 | C4 | S8 | 113.3° | 109.9° |
| C4 | C5 | C6 | 113.5° | 113.4° |
| C4 | S8 | C7 | 89.4° | 91.4° |
| C5 | C6 | C7 | 111.2° | 115.2° |
| C5 | C6 | H6 | 124.4° | 122.4° |
| C6 | C7 | S8 | 112.5° | 110.1° |
| C6 | C7 | C25 | 125.2° | 125.0° |
| C7 | C6 | H6 | 124.4° | 122.4° |
| S8 | C7 | C25 | 122.2° | 124.9° |
| C7 | C25 | O26 | 120.7° | 120.0° |
| C7 | C25 | N27 | 121.4° | 120.0° |
| N9 | C10 | C11 | 122.5° | 120.0° |
| N9 | C10 | O12 | 118.4° | 120.0° |
| C10 | N9 | H9 | 114.5° | 120.0° |
| C11 | C10 | O12 | 119.0° | 120.0° |
| C10 | C11 | C13 | 122.9° | 120.1° |
| C10 | C11 | C17 | 120.6° | 120.1° |
| C13 | C11 | C17 | 116.4° | 119.8° |
| C11 | C13 | C14 | 121.2° | 120.0° |
| C11 | C13 | H13 | 119.4° | 120.0° |
| C11 | C17 | C16 | 122.5° | 120.0° |
| C11 | C17 | H17 | 118.8° | 120.1° |
| C13 | C14 | C15 | 122.3° | 120.1° |
| C14 | C13 | H13 | 119.4° | 120.0° |
| C13 | C14 | H14 | 118.9° | 120.0° |
| C14 | C15 | C16 | 116.4° | 120.1° |
| C14 | C15 | N18 | 121.3° | 119.9° |
| C15 | C14 | H14 | 118.9° | 120.0° |
| C16 | C15 | N18 | 122.3° | 120.0° |
| C15 | C16 | C17 | 121.3° | 120.1° |
| C15 | C16 | H16 | 119.3° | 119.9° |
| C15 | N18 | C19 | 122.7° | 111.0° |
| C15 | N18 | C23 | 119.3° | 111.0° |
| C16 | C17 | H17 | 118.8° | 120.0° |
| C17 | C16 | H16 | 119.3° | 120.0° |
| C19 | N18 | C23 | 117.9° | 110.9° |
| N18 | C19 | C20 | 113.8° | 109.4° |
| N18 | C19 | H191 | 108.0° | 109.5° |
| N18 | C19 | H192 | 107.1° | 109.5° |
| N18 | C23 | C22 | 111.4° | 109.4° |
| N18 | C23 | H231 | 108.8° | 109.5° |
| N18 | C23 | H232 | 108.4° | 109.5° |
| C19 | C20 | N21 | 109.7° | 109.3° |
| C20 | C19 | H191 | 108.0° | 109.5° |
| C20 | C19 | H192 | 107.0° | 109.5° |
| C19 | C20 | H201 | 109.4° | 109.5° |
| C19 | C20 | H202 | 109.3° | 109.5° |
| C20 | N21 | C22 | 109.4° | 110.9° |
| C20 | N21 | C24 | 112.3° | 111.0° |
| N21 | C20 | H201 | 109.4° | 109.5° |
| N21 | C20 | H202 | 109.3° | 109.5° |
| C22 | N21 | C24 | 110.6° | 111.0° |
| N21 | C22 | C23 | 107.7° | 109.4° |
| N21 | C22 | H221 | 110.1° | 109.5° |
| N21 | C22 | H222 | 110.4° | 109.5° |
| N21 | C24 | H241 | 109.5° | 109.4° |
| N21 | C24 | H242 | 109.5° | 109.5° |
| N21 | C24 | H243 | 109.4° | 109.5° |
| C22 | C23 | H231 | 108.8° | 109.5° |
| C22 | C23 | H232 | 108.4° | 109.5° |
| C23 | C22 | H221 | 110.0° | 109.4° |
| C23 | C22 | H222 | 110.4° | 109.5° |
| O26 | C25 | N27 | 117.9° | 120.0° |
| C25 | N27 | C28 | 126.6° | 120.0° |
| C25 | N27 | H27 | 116.7° | 120.0° |
| N27 | C28 | C29 | 107.5° | 109.5° |
| N27 | C28 | C30 | 108.0° | 109.4° |
| C28 | N27 | H27 | 116.7° | 120.0° |
| N27 | C28 | H28 | 113.9° | 109.5° |
| C29 | C28 | C30 | 115.2° | 109.5° |
| C28 | C29 | C31 | 121.8° | 120.0° |
| C28 | C29 | C35 | 120.2° | 120.0° |
| C29 | C28 | H28 | 106.5° | 109.5° |
| C28 | C30 | C36 | 113.1° | 109.5° |
| C30 | C28 | H28 | 106.0° | 109.4° |
| C28 | C30 | H301 | 108.3° | 109.5° |
| C28 | C30 | H302 | 107.4° | 109.5° |
| C31 | C29 | C35 | 117.9° | 120.0° |
| C29 | C31 | C32 | 121.7° | 120.0° |
| C29 | C31 | H31 | 119.2° | 120.0° |
| C29 | C35 | C34 | 120.4° | 120.0° |
| C29 | C35 | H35 | 119.8° | 120.0° |
| C36 | C30 | H301 | 108.3° | 109.5° |
| C36 | C30 | H302 | 107.5° | 109.5° |
| C30 | C36 | H361 | 109.5° | 109.4° |
| C30 | C36 | H362 | 109.5° | 109.5° |
| C30 | C36 | H363 | 109.5° | 109.4° |
| C31 | C32 | C33 | 119.1° | 120.0° |
| C32 | C31 | H31 | 119.1° | 120.0° |
| C31 | C32 | H32 | 120.4° | 120.0° |
| C32 | C33 | C34 | 120.0° | 120.0° |
| C33 | C32 | H32 | 120.5° | 120.0° |
| C32 | C33 | H33 | 120.0° | 120.0° |
| C33 | C34 | C35 | 120.7° | 120.0° |
| C34 | C33 | H33 | 120.0° | 120.0° |
| C33 | C34 | H34 | 119.6° | 120.0° |
| C34 | C35 | H35 | 119.8° | 120.0° |
| C35 | C34 | H34 | 119.6° | 120.0° |
| H191 | C19 | H192 | 113.0° | 109.5° |
| H231 | C23 | H232 | 111.0° | 109.5° |
| H201 | C20 | H202 | 109.7° | 109.5° |
| H221 | C22 | H222 | 108.1° | 109.5° |
| H241 | C24 | H242 | 109.4° | 109.5° |
| H241 | C24 | H243 | 109.4° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.5° |
| H301 | C30 | H302 | 112.4° | 109.4° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H361 | C36 | H363 | 109.4° | 109.5° |
| H362 | C36 | H363 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C4 | N9 | 179.7° | 179.7° |
| C1 | N2 | N3 | C5 | 0.1° | 0.0° |
| N2 | C1 | C4 | C5 | 0.2° | 0.0° |
| N2 | C1 | C4 | S8 | 179.9° | 180.0° |
| N2 | C1 | N9 | C10 | 163.3° | 0.1° |
| N2 | C1 | N9 | H9 | 16.7° | 179.9° |
| C1 | N2 | N3 | H3 | 179.9° | 180.0° |
| C4 | C1 | N2 | N3 | 0.1° | 0.1° |
| C1 | C4 | C5 | N3 | 0.3° | 0.0° |
| C1 | C4 | C5 | S8 | 179.8° | 180.0° |
| C1 | C4 | C5 | C6 | 179.1° | 180.0° |
| C1 | C4 | S8 | C7 | 178.6° | 180.0° |
| C4 | C1 | N9 | C10 | 16.4° | 179.7° |
| C4 | C1 | N9 | H9 | 163.6° | 0.3° |
| N9 | C1 | N2 | N3 | 179.7° | 179.7° |
| N9 | C1 | C4 | C5 | 179.5° | 179.7° |
| N9 | C1 | C4 | S8 | 0.2° | 0.3° |
| C1 | N9 | C10 | H9 | 180.0° | 179.9° |
| C1 | N9 | C10 | C11 | 158.7° | 180.0° |
| C1 | N9 | C10 | O12 | 22.5° | 0.0° |
| N2 | N3 | C5 | H3 | 180.0° | 180.0° |
| N2 | N3 | C5 | C4 | 0.2° | 0.0° |
| N2 | N3 | C5 | C6 | 178.9° | 180.0° |
| N3 | C5 | C4 | C6 | 179.4° | 180.0° |
| N3 | C5 | C4 | S8 | 180.0° | 180.0° |
| N3 | C5 | C6 | C7 | 178.8° | 180.0° |
| N3 | C5 | C6 | H6 | 1.2° | 0.0° |
| C4 | C5 | C6 | C7 | 0.3° | 0.0° |
| C5 | C4 | S8 | C7 | 1.1° | 0.0° |
| C4 | C5 | N3 | H3 | 179.7° | 180.0° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| S8 | C4 | C5 | C6 | 0.7° | 0.0° |
| C4 | S8 | C7 | C6 | 1.2° | 0.0° |
| C4 | S8 | C7 | C25 | 177.6° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | S8 | 1.1° | 0.0° |
| C5 | C6 | C7 | C25 | 177.7° | 180.0° |
| C6 | C5 | N3 | H3 | 1.1° | 0.0° |
| C6 | C7 | S8 | C25 | 178.8° | 180.0° |
| C6 | C7 | C25 | O26 | 10.8° | 0.0° |
| C6 | C7 | C25 | N27 | 166.8° | 180.0° |
| S8 | C7 | C25 | O26 | 170.5° | 179.9° |
| S8 | C7 | C25 | N27 | 11.9° | 0.0° |
| S8 | C7 | C6 | H6 | 178.9° | 180.0° |
| C7 | C25 | O26 | N27 | 177.7° | 179.9° |
| C7 | C25 | N27 | C28 | 174.0° | 180.0° |
| C25 | C7 | C6 | H6 | 2.4° | 0.0° |
| C7 | C25 | N27 | H27 | 6.1° | 0.0° |
| N9 | C10 | C11 | O12 | 178.8° | 180.0° |
| N9 | C10 | C11 | C13 | 5.6° | 180.0° |
| N9 | C10 | C11 | C17 | 174.7° | 0.2° |
| C10 | C11 | C13 | C17 | 179.7° | 179.8° |
| C10 | C11 | C13 | C14 | 180.0° | 180.0° |
| C10 | C11 | C17 | C16 | 179.9° | 179.7° |
| C11 | C10 | N9 | H9 | 21.3° | 0.1° |
| C10 | C11 | C13 | H13 | 0.0° | 0.0° |
| C10 | C11 | C17 | H17 | 0.0° | 0.1° |
| O12 | C10 | C11 | C13 | 173.2° | 0.1° |
| O12 | C10 | C11 | C17 | 6.5° | 179.8° |
| O12 | C10 | N9 | H9 | 157.5° | 179.9° |
| C11 | C13 | C14 | H13 | 180.0° | 180.0° |
| C11 | C13 | C14 | C15 | 0.2° | 0.1° |
| C13 | C11 | C17 | C16 | 0.3° | 0.5° |
| C13 | C11 | C17 | H17 | 179.7° | 179.7° |
| C11 | C13 | C14 | H14 | 179.8° | 180.0° |
| C17 | C11 | C13 | C14 | 0.4° | 0.2° |
| C11 | C17 | C16 | C15 | 0.0° | 0.5° |
| C11 | C17 | C16 | H17 | 180.0° | 179.8° |
| C17 | C11 | C13 | H13 | 179.6° | 179.8° |
| C11 | C17 | C16 | H16 | 179.9° | 179.8° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.0° | 0.0° |
| C13 | C14 | C15 | N18 | 179.4° | 180.0° |
| C14 | C15 | C16 | N18 | 179.4° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.3° |
| C14 | C15 | N18 | C19 | 117.3° | 180.0° |
| C14 | C15 | N18 | C23 | 59.7° | 56.2° |
| C15 | C14 | C13 | H13 | 179.8° | 180.0° |
| C14 | C15 | C16 | H16 | 179.9° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.7° |
| C16 | C15 | N18 | C19 | 63.3° | 0.0° |
| C16 | C15 | N18 | C23 | 119.7° | 123.8° |
| C15 | C16 | C17 | H17 | 179.9° | 179.6° |
| C16 | C15 | C14 | H14 | 180.0° | 180.0° |
| N18 | C15 | C16 | C17 | 179.3° | 179.7° |
| C15 | N18 | C19 | C23 | 177.1° | 123.9° |
| C15 | N18 | C19 | C20 | 146.2° | 176.8° |
| C15 | N18 | C23 | C22 | 137.8° | 176.8° |
| N18 | C15 | C14 | H14 | 0.6° | 0.0° |
| N18 | C15 | C16 | H16 | 0.7° | 0.1° |
| C15 | N18 | C19 | H191 | 26.2° | 56.8° |
| C15 | N18 | C19 | H192 | 95.7° | 63.2° |
| C15 | N18 | C23 | H231 | 102.2° | 63.2° |
| C15 | N18 | C23 | H232 | 18.6° | 56.9° |
| N18 | C19 | C20 | H191 | 120.0° | 119.9° |
| N18 | C19 | C20 | H192 | 118.1° | 120.0° |
| N18 | C19 | C20 | N21 | 42.3° | 58.4° |
| C19 | N18 | C23 | C22 | 45.0° | 59.3° |
| N18 | C19 | H191 | H192 | 118.2° | 120.0° |
| C19 | N18 | C23 | H231 | 75.1° | 60.6° |
| C19 | N18 | C23 | H232 | 164.2° | 179.3° |
| N18 | C19 | C20 | H201 | 77.7° | 61.5° |
| N18 | C19 | C20 | H202 | 162.2° | 178.4° |
| C23 | N18 | C19 | C20 | 36.6° | 59.3° |
| N18 | C23 | C22 | N21 | 59.6° | 58.4° |
| N18 | C23 | C22 | H231 | 120.0° | 119.9° |
| N18 | C23 | C22 | H232 | 119.2° | 120.0° |
| C23 | N18 | C19 | H191 | 156.6° | 179.3° |
| C23 | N18 | C19 | H192 | 81.4° | 60.7° |
| N18 | C23 | H231 | H232 | 119.2° | 120.0° |
| N18 | C23 | C22 | H221 | 60.5° | 61.6° |
| N18 | C23 | C22 | H222 | 179.8° | 178.4° |
| C19 | C20 | N21 | H201 | 120.0° | 119.9° |
| C19 | C20 | N21 | H202 | 119.9° | 120.0° |
| C19 | C20 | N21 | C22 | 59.4° | 59.3° |
| C19 | C20 | N21 | C24 | 177.3° | 176.8° |
| C20 | C19 | H191 | H192 | 118.2° | 120.1° |
| C19 | C20 | H201 | H202 | 119.9° | 120.1° |
| C20 | N21 | C22 | C24 | 124.3° | 123.9° |
| C20 | N21 | C22 | C23 | 68.4° | 59.3° |
| N21 | C20 | C19 | H191 | 162.3° | 178.4° |
| N21 | C20 | C19 | H192 | 75.8° | 61.6° |
| N21 | C20 | H201 | H202 | 119.9° | 120.1° |
| C20 | N21 | C22 | H221 | 51.6° | 60.7° |
| C20 | N21 | C22 | H222 | 170.9° | 179.3° |
| C20 | N21 | C24 | H241 | 177.6° | 60.0° |
| C20 | N21 | C24 | H242 | 62.4° | 180.0° |
| C20 | N21 | C24 | H243 | 57.7° | 60.0° |
| N21 | C22 | C23 | H221 | 120.0° | 120.0° |
| N21 | C22 | C23 | H222 | 120.7° | 120.0° |
| N21 | C22 | C23 | H231 | 60.4° | 61.6° |
| N21 | C22 | C23 | H232 | 178.7° | 178.3° |
| C22 | N21 | C20 | H201 | 60.6° | 60.7° |
| C22 | N21 | C20 | H202 | 179.3° | 179.2° |
| N21 | C22 | H221 | H222 | 120.7° | 120.0° |
| C22 | N21 | C24 | H241 | 59.7° | 176.2° |
| C22 | N21 | C24 | H242 | 60.2° | 56.2° |
| C22 | N21 | C24 | H243 | 179.7° | 63.9° |
| C24 | N21 | C22 | C23 | 167.3° | 176.8° |
| C24 | N21 | C20 | H201 | 62.7° | 63.2° |
| C24 | N21 | C20 | H202 | 57.4° | 56.9° |
| C24 | N21 | C22 | H221 | 72.7° | 63.2° |
| C24 | N21 | C22 | H222 | 46.7° | 56.8° |
| N21 | C24 | H241 | H242 | 120.0° | 120.0° |
| N21 | C24 | H241 | H243 | 120.0° | 120.0° |
| N21 | C24 | H242 | H243 | 120.0° | 120.0° |
| C22 | C23 | H231 | H232 | 119.2° | 120.1° |
| C23 | C22 | H221 | H222 | 120.7° | 120.0° |
| O26 | C25 | N27 | C28 | 3.7° | 0.0° |
| O26 | C25 | N27 | H27 | 176.3° | 180.0° |
| C25 | N27 | C28 | H27 | 180.0° | 180.0° |
| C25 | N27 | C28 | C29 | 99.6° | 155.0° |
| C25 | N27 | C28 | C30 | 135.5° | 85.0° |
| C25 | N27 | C28 | H28 | 18.1° | 34.9° |
| N27 | C28 | C29 | C30 | 120.4° | 120.0° |
| N27 | C28 | C29 | H28 | 122.4° | 120.1° |
| N27 | C28 | C30 | H28 | 122.4° | 120.0° |
| N27 | C28 | C29 | C31 | 36.1° | 140.0° |
| N27 | C28 | C29 | C35 | 143.4° | 39.7° |
| N27 | C28 | C30 | C36 | 78.6° | 65.0° |
| N27 | C28 | C30 | H301 | 161.4° | 175.0° |
| N27 | C28 | C30 | H302 | 39.8° | 55.1° |
| C29 | C28 | C30 | H28 | 117.4° | 120.0° |
| C28 | C29 | C31 | C35 | 179.5° | 179.7° |
| C29 | C28 | C30 | C36 | 161.2° | 175.0° |
| C28 | C29 | C31 | C32 | 179.4° | 180.0° |
| C28 | C29 | C35 | C34 | 179.3° | 179.8° |
| C29 | C28 | N27 | H27 | 80.4° | 25.0° |
| C29 | C28 | C30 | H301 | 41.2° | 55.0° |
| C29 | C28 | C30 | H302 | 80.4° | 64.9° |
| C28 | C29 | C31 | H31 | 0.6° | 0.1° |
| C28 | C29 | C35 | H35 | 0.7° | 0.0° |
| C30 | C28 | C29 | C31 | 84.4° | 100.0° |
| C30 | C28 | C29 | C35 | 96.2° | 80.3° |
| C28 | C30 | C36 | H301 | 120.0° | 120.0° |
| C28 | C30 | C36 | H302 | 118.4° | 120.0° |
| C30 | C28 | N27 | H27 | 44.5° | 95.0° |
| C28 | C30 | H301 | H302 | 118.5° | 120.0° |
| C28 | C30 | C36 | H361 | 26.4° | 60.0° |
| C28 | C30 | C36 | H362 | 146.4° | 60.0° |
| C28 | C30 | C36 | H363 | 93.6° | 180.0° |
| C29 | C31 | C32 | H31 | 180.0° | 179.9° |
| C29 | C31 | C32 | C33 | 0.1° | 0.1° |
| C31 | C29 | C35 | C34 | 0.1° | 0.5° |
| C31 | C29 | C28 | H28 | 158.5° | 19.9° |
| C31 | C29 | C35 | H35 | 179.8° | 179.7° |
| C29 | C31 | C32 | H32 | 179.9° | 180.0° |
| C35 | C29 | C31 | C32 | 0.1° | 0.3° |
| C29 | C35 | C34 | C33 | 0.1° | 0.5° |
| C29 | C35 | C34 | H35 | 180.0° | 179.8° |
| C35 | C29 | C28 | H28 | 20.9° | 159.8° |
| C35 | C29 | C31 | H31 | 180.0° | 179.8° |
| C29 | C35 | C34 | H34 | 179.9° | 179.8° |
| C36 | C30 | C28 | H28 | 43.8° | 55.0° |
| C36 | C30 | H301 | H302 | 118.5° | 120.0° |
| C30 | C36 | H361 | H362 | 120.0° | 120.0° |
| C30 | C36 | H361 | H363 | 120.0° | 119.9° |
| C30 | C36 | H362 | H363 | 120.0° | 120.0° |
| C31 | C32 | C33 | H32 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.1° | 0.0° |
| C31 | C32 | C33 | H33 | 179.8° | 180.0° |
| C32 | C33 | C34 | H33 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 0.0° | 0.2° |
| C33 | C32 | C31 | H31 | 179.9° | 180.0° |
| C32 | C33 | C34 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | H34 | 180.0° | 179.8° |
| C33 | C34 | C35 | H35 | 179.9° | 179.7° |
| C34 | C33 | C32 | H32 | 179.9° | 180.0° |
| C35 | C34 | C33 | H33 | 179.9° | 179.8° |
| H13 | C13 | C14 | H14 | 0.2° | 0.0° |
| H17 | C17 | C16 | H16 | 0.1° | 0.0° |
| H191 | C19 | C20 | H201 | 42.3° | 58.4° |
| H191 | C19 | C20 | H202 | 77.8° | 61.7° |
| H192 | C19 | C20 | H201 | 164.2° | 178.5° |
| H192 | C19 | C20 | H202 | 44.1° | 58.4° |
| H231 | C23 | C22 | H221 | 179.5° | 178.5° |
| H231 | C23 | C22 | H222 | 60.2° | 58.5° |
| H232 | C23 | C22 | H221 | 58.7° | 58.4° |
| H232 | C23 | C22 | H222 | 60.6° | 61.7° |
| H241 | C24 | H242 | H243 | 120.0° | 120.0° |
| H27 | N27 | C28 | H28 | 161.9° | 145.1° |
| H28 | C28 | C30 | H301 | 76.2° | 65.0° |
| H28 | C28 | C30 | H302 | 162.2° | 175.0° |
| H301 | C30 | C36 | H361 | 93.6° | 179.9° |
| H301 | C30 | C36 | H362 | 26.4° | 60.0° |
| H301 | C30 | C36 | H363 | 146.4° | 60.0° |
| H302 | C30 | C36 | H361 | 144.8° | 60.0° |
| H302 | C30 | C36 | H362 | 95.2° | 180.0° |
| H302 | C30 | C36 | H363 | 24.8° | 60.0° |
| H31 | C31 | C32 | H32 | 0.1° | 0.0° |
| H35 | C35 | C34 | H34 | 0.1° | 0.0° |
| H361 | C36 | H362 | H363 | 120.0° | 120.0° |
| H32 | C32 | C33 | H33 | 0.2° | 0.0° |
| H33 | C33 | C34 | H34 | 0.1° | 0.1° |
