406
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C41 | sing | 1.45Å | 1.49Å | |
| C1 | C2 | sing | 1.39Å | 1.43Å | Aromatic |
| C1 | C6 | doub | 1.39Å | 1.43Å | Aromatic |
| C2 | C3 | doub | 1.39Å | 1.41Å | Aromatic |
| C2 | H2 | sing | 1.09Å | 1.08Å | |
| C3 | C4 | sing | 1.39Å | 1.46Å | Aromatic |
| C3 | H3 | sing | 1.09Å | 1.08Å | |
| C4 | C11 | sing | 1.50Å | 1.56Å | |
| C4 | C5 | doub | 1.39Å | 1.48Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| C5 | C7 | sing | 1.49Å | 1.57Å | |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C7 | F8 | sing | 1.36Å | 1.36Å | |
| C7 | F9 | sing | 1.36Å | 1.36Å | |
| C7 | F10 | sing | 1.36Å | 1.37Å | |
| C11 | N12 | sing | 1.45Å | 1.49Å | |
| C11 | H111 | sing | 1.10Å | 1.10Å | |
| C11 | H112 | sing | 1.10Å | 1.10Å | |
| N12 | C13 | sing | 1.47Å | 1.48Å | |
| N12 | C16 | sing | 1.46Å | 1.49Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.10Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C14 | H142 | sing | 1.10Å | 1.10Å | |
| C15 | C16 | sing | 1.52Å | 1.51Å | |
| C15 | N17 | sing | 1.45Å | 1.53Å | |
| C15 | H15 | sing | 1.10Å | 1.10Å | |
| C16 | H161 | sing | 1.10Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| N17 | C18 | sing | 1.47Å | 1.48Å | |
| N17 | C19 | sing | 1.47Å | 1.51Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| N20 | C25 | sing | 1.35Å | 1.35Å | Aromatic |
| N20 | C21 | doub | 1.35Å | 1.35Å | Aromatic |
| C21 | N22 | sing | 1.35Å | 1.34Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| N22 | C23 | doub | 1.35Å | 1.36Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.48Å | Aromatic |
| C23 | H23 | sing | 1.09Å | 1.08Å | |
| C24 | C26 | sing | 1.44Å | 1.40Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.47Å | Aromatic |
| C25 | H25 | sing | 1.09Å | 1.08Å | |
| C26 | C31 | doub | 1.38Å | 1.48Å | Aromatic |
| C26 | N27 | sing | 1.35Å | 1.38Å | Aromatic |
| N27 | C28 | doub | 1.35Å | 1.32Å | Aromatic |
| C28 | N32 | sing | 1.41Å | 1.39Å | |
| C28 | N29 | sing | 1.35Å | 1.33Å | Aromatic |
| N29 | C30 | doub | 1.35Å | 1.38Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.42Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| N32 | C38 | sing | 1.41Å | 1.40Å | |
| N32 | H32 | sing | 1.01Å | 1.00Å | |
| C33 | C34 | sing | 1.38Å | 1.45Å | Aromatic |
| C33 | C38 | doub | 1.39Å | 1.41Å | Aromatic |
| C33 | H33 | sing | 1.09Å | 1.08Å | |
| C34 | C35 | doub | 1.38Å | 1.41Å | Aromatic |
| C34 | N40 | sing | 1.42Å | 1.44Å | |
| C35 | C36 | sing | 1.40Å | 1.44Å | Aromatic |
| C35 | H35 | sing | 1.09Å | 1.08Å | |
| C36 | C37 | doub | 1.40Å | 1.43Å | Aromatic |
| C36 | H36 | sing | 1.09Å | 1.08Å | |
| C37 | C39 | sing | 1.49Å | 1.53Å | |
| C37 | C38 | sing | 1.40Å | 1.42Å | Aromatic |
| C39 | H391 | sing | 1.10Å | 1.10Å | |
| C39 | H392 | sing | 1.10Å | 1.10Å | |
| C39 | H393 | sing | 1.10Å | 1.10Å | |
| N40 | C41 | sing | 1.40Å | 1.33Å | |
| N40 | H40 | sing | 1.02Å | 1.00Å | |
| C41 | O42 | doub | 1.24Å | 1.23Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C41 | C1 | C2 | 125.3° | 120.0° |
| C41 | C1 | C6 | 116.0° | 120.0° |
| C1 | C41 | N40 | 120.7° | 115.0° |
| C1 | C41 | O42 | 118.5° | 121.7° |
| C2 | C1 | C6 | 118.6° | 120.0° |
| C1 | C2 | C3 | 120.6° | 120.0° |
| C1 | C2 | H2 | 119.7° | 120.6° |
| C1 | C6 | C5 | 123.4° | 120.0° |
| C1 | C6 | H6 | 118.3° | 120.1° |
| C3 | C2 | H2 | 119.7° | 119.4° |
| C2 | C3 | C4 | 121.2° | 119.7° |
| C2 | C3 | H3 | 119.4° | 119.5° |
| C4 | C3 | H3 | 119.4° | 120.8° |
| C3 | C4 | C11 | 116.0° | 118.8° |
| C3 | C4 | C5 | 118.6° | 120.6° |
| C11 | C4 | C5 | 125.5° | 120.6° |
| C4 | C11 | N12 | 119.5° | 112.0° |
| C4 | C11 | H111 | 106.3° | 110.6° |
| C4 | C11 | H112 | 103.9° | 111.1° |
| C4 | C5 | C6 | 117.6° | 119.7° |
| C4 | C5 | C7 | 125.3° | 121.2° |
| C6 | C5 | C7 | 117.1° | 119.1° |
| C5 | C6 | H6 | 118.3° | 119.9° |
| C5 | C7 | F8 | 109.3° | 113.5° |
| C5 | C7 | F9 | 110.9° | 113.5° |
| C5 | C7 | F10 | 112.7° | 112.5° |
| F8 | C7 | F9 | 108.9° | 105.2° |
| F8 | C7 | F10 | 105.3° | 105.7° |
| F9 | C7 | F10 | 109.6° | 105.7° |
| N12 | C11 | H111 | 106.3° | 107.9° |
| N12 | C11 | H112 | 103.9° | 107.8° |
| C11 | N12 | C13 | 116.0° | 112.7° |
| C11 | N12 | C16 | 113.4° | 112.6° |
| H111 | C11 | H112 | 117.7° | 107.2° |
| C13 | N12 | C16 | 107.6° | 105.9° |
| N12 | C13 | C14 | 104.9° | 105.0° |
| N12 | C13 | H131 | 111.1° | 111.0° |
| N12 | C13 | H132 | 112.0° | 112.1° |
| N12 | C16 | C15 | 101.4° | 100.8° |
| N12 | C16 | H161 | 112.2° | 111.7° |
| N12 | C16 | H162 | 114.0° | 112.1° |
| C14 | C13 | H131 | 111.0° | 111.4° |
| C14 | C13 | H132 | 112.0° | 109.1° |
| C13 | C14 | C15 | 100.5° | 104.8° |
| C13 | C14 | H141 | 112.6° | 109.6° |
| C13 | C14 | H142 | 114.4° | 112.1° |
| H131 | C13 | H132 | 106.0° | 108.2° |
| C15 | C14 | H141 | 112.6° | 111.8° |
| C15 | C14 | H142 | 114.4° | 110.9° |
| C14 | C15 | C16 | 98.9° | 103.3° |
| C14 | C15 | N17 | 116.5° | 113.1° |
| C14 | C15 | H15 | 113.8° | 109.0° |
| H141 | C14 | H142 | 102.8° | 107.7° |
| C16 | C15 | N17 | 114.3° | 113.0° |
| C16 | C15 | H15 | 116.1° | 109.4° |
| C15 | C16 | H161 | 112.2° | 111.4° |
| C15 | C16 | H162 | 113.9° | 111.8° |
| N17 | C15 | H15 | 98.3° | 108.9° |
| C15 | N17 | C18 | 116.2° | 110.8° |
| C15 | N17 | C19 | 109.8° | 110.8° |
| H161 | C16 | H162 | 103.5° | 108.9° |
| C18 | N17 | C19 | 110.9° | 110.0° |
| N17 | C18 | H181 | 109.5° | 110.1° |
| N17 | C18 | H182 | 109.5° | 110.3° |
| N17 | C18 | H183 | 109.4° | 110.2° |
| N17 | C19 | H191 | 109.5° | 110.1° |
| N17 | C19 | H192 | 109.5° | 110.3° |
| N17 | C19 | H193 | 109.5° | 110.3° |
| H181 | C18 | H182 | 109.5° | 108.8° |
| H181 | C18 | H183 | 109.4° | 108.7° |
| H182 | C18 | H183 | 109.5° | 108.7° |
| H191 | C19 | H192 | 109.5° | 108.8° |
| H191 | C19 | H193 | 109.4° | 108.8° |
| H192 | C19 | H193 | 109.5° | 108.6° |
| C25 | N20 | C21 | 117.9° | 114.9° |
| N20 | C25 | C24 | 123.6° | 123.7° |
| N20 | C25 | H25 | 118.2° | 114.7° |
| N20 | C21 | N22 | 126.4° | 127.0° |
| N20 | C21 | H21 | 116.8° | 116.5° |
| N22 | C21 | H21 | 116.8° | 116.5° |
| C21 | N22 | C23 | 117.3° | 115.0° |
| N22 | C23 | C24 | 123.5° | 123.7° |
| N22 | C23 | H23 | 118.2° | 114.6° |
| C24 | C23 | H23 | 118.2° | 121.8° |
| C23 | C24 | C26 | 122.3° | 122.1° |
| C23 | C24 | C25 | 111.2° | 115.8° |
| C26 | C24 | C25 | 126.4° | 122.1° |
| C24 | C26 | C31 | 122.9° | 121.1° |
| C24 | C26 | N27 | 118.8° | 115.1° |
| C24 | C25 | H25 | 118.2° | 121.7° |
| C31 | C26 | N27 | 118.3° | 123.8° |
| C26 | C31 | C30 | 115.7° | 115.7° |
| C26 | C31 | H31 | 122.2° | 123.0° |
| C26 | N27 | C28 | 120.5° | 115.1° |
| N27 | C28 | N32 | 115.1° | 116.7° |
| N27 | C28 | N29 | 125.2° | 126.6° |
| N32 | C28 | N29 | 119.6° | 116.7° |
| C28 | N32 | C38 | 128.2° | 132.5° |
| C28 | N32 | H32 | 115.9° | 113.9° |
| C28 | N29 | C30 | 118.6° | 115.1° |
| N29 | C30 | C31 | 121.6° | 123.7° |
| N29 | C30 | H30 | 119.2° | 115.3° |
| C31 | C30 | H30 | 119.2° | 121.0° |
| C30 | C31 | H31 | 122.1° | 121.4° |
| C38 | N32 | H32 | 115.9° | 113.5° |
| N32 | C38 | C33 | 117.7° | 119.3° |
| N32 | C38 | C37 | 121.2° | 120.7° |
| C34 | C33 | C38 | 120.0° | 119.2° |
| C34 | C33 | H33 | 120.0° | 120.8° |
| C33 | C34 | C35 | 119.3° | 121.7° |
| C33 | C34 | N40 | 123.5° | 119.2° |
| C38 | C33 | H33 | 120.0° | 120.0° |
| C33 | C38 | C37 | 121.1° | 120.0° |
| C35 | C34 | N40 | 117.2° | 119.2° |
| C34 | C35 | C36 | 120.3° | 119.2° |
| C34 | C35 | H35 | 119.9° | 121.5° |
| C34 | N40 | C41 | 132.7° | 128.4° |
| C34 | N40 | H40 | 113.6° | 115.8° |
| C36 | C35 | H35 | 119.9° | 119.3° |
| C35 | C36 | C37 | 120.1° | 120.0° |
| C35 | C36 | H36 | 120.0° | 119.5° |
| C37 | C36 | H36 | 120.0° | 120.5° |
| C36 | C37 | C39 | 115.9° | 118.9° |
| C36 | C37 | C38 | 119.3° | 120.0° |
| C39 | C37 | C38 | 124.8° | 121.1° |
| C37 | C39 | H391 | 109.5° | 110.2° |
| C37 | C39 | H392 | 109.5° | 111.2° |
| C37 | C39 | H393 | 109.5° | 111.1° |
| H391 | C39 | H392 | 109.4° | 108.6° |
| H391 | C39 | H393 | 109.5° | 108.6° |
| H392 | C39 | H393 | 109.5° | 106.9° |
| C41 | N40 | H40 | 113.6° | 115.8° |
| N40 | C41 | O42 | 120.8° | 123.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C41 | C1 | C2 | C6 | 179.4° | 180.0° |
| C41 | C1 | C2 | C3 | 179.6° | 180.0° |
| C41 | C1 | C2 | H2 | 0.4° | 0.0° |
| C41 | C1 | C6 | C5 | 179.4° | 180.0° |
| C41 | C1 | C6 | H6 | 0.6° | 0.0° |
| C1 | C41 | N40 | C34 | 168.6° | 178.1° |
| C1 | C41 | N40 | O42 | 178.8° | 178.1° |
| C1 | C41 | N40 | H40 | 11.4° | 1.9° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.0° |
| C1 | C2 | C3 | H3 | 179.6° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.0° |
| C2 | C1 | C6 | H6 | 179.9° | 180.0° |
| C2 | C1 | C41 | N40 | 24.1° | 27.0° |
| C2 | C1 | C41 | O42 | 154.7° | 151.1° |
| C6 | C1 | C2 | C3 | 0.2° | 0.0° |
| C6 | C1 | C2 | H2 | 179.8° | 180.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | C7 | 179.6° | 180.0° |
| C6 | C1 | C41 | N40 | 156.4° | 153.0° |
| C6 | C1 | C41 | O42 | 24.8° | 28.8° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C11 | 179.7° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.0° |
| H2 | C2 | C3 | C4 | 179.6° | 180.0° |
| H2 | C2 | C3 | H3 | 0.4° | 0.1° |
| C3 | C4 | C11 | C5 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.0° | 0.1° |
| C3 | C4 | C5 | C7 | 179.8° | 180.0° |
| C3 | C4 | C11 | N12 | 31.0° | 90.0° |
| C3 | C4 | C11 | H111 | 151.0° | 30.5° |
| C3 | C4 | C11 | H112 | 84.1° | 149.4° |
| H3 | C3 | C4 | C11 | 0.3° | 0.0° |
| H3 | C3 | C4 | C5 | 179.7° | 179.9° |
| C11 | C4 | C5 | C6 | 180.0° | 180.0° |
| C11 | C4 | C5 | C7 | 0.2° | 0.1° |
| C4 | C11 | N12 | H111 | 120.0° | 122.0° |
| C4 | C11 | N12 | H112 | 115.1° | 122.5° |
| C4 | C11 | H111 | H112 | 115.9° | 121.2° |
| C4 | C11 | N12 | C13 | 169.2° | 180.0° |
| C4 | C11 | N12 | C16 | 65.5° | 60.1° |
| C4 | C5 | C6 | C7 | 179.8° | 179.9° |
| C4 | C5 | C6 | H6 | 179.8° | 179.9° |
| C4 | C5 | C7 | F8 | 64.2° | 180.0° |
| C4 | C5 | C7 | F9 | 55.8° | 60.0° |
| C4 | C5 | C7 | F10 | 179.1° | 60.0° |
| C5 | C4 | C11 | N12 | 149.0° | 89.9° |
| C5 | C4 | C11 | H111 | 29.0° | 149.6° |
| C5 | C4 | C11 | H112 | 95.9° | 30.7° |
| C6 | C5 | C7 | F8 | 115.5° | 0.1° |
| C6 | C5 | C7 | F9 | 124.4° | 120.1° |
| C6 | C5 | C7 | F10 | 1.2° | 119.9° |
| C7 | C5 | C6 | H6 | 0.4° | 0.1° |
| C5 | C7 | F8 | F9 | 121.2° | 124.7° |
| C5 | C7 | F8 | F10 | 121.3° | 123.8° |
| C5 | C7 | F9 | F10 | 125.0° | 123.8° |
| F8 | C7 | F9 | F10 | 114.7° | 111.5° |
| N12 | C11 | H111 | H112 | 115.9° | 115.9° |
| C11 | N12 | C13 | C16 | 128.1° | 123.6° |
| C11 | N12 | C13 | C14 | 129.1° | 154.5° |
| C11 | N12 | C13 | H131 | 9.1° | 85.0° |
| C11 | N12 | C13 | H132 | 109.2° | 36.1° |
| C11 | N12 | C16 | C15 | 161.3° | 168.4° |
| C11 | N12 | C16 | H161 | 78.7° | 50.0° |
| C11 | N12 | C16 | H162 | 38.5° | 72.5° |
| H111 | C11 | N12 | C13 | 70.8° | 58.0° |
| H111 | C11 | N12 | C16 | 54.5° | 61.9° |
| H112 | C11 | N12 | C13 | 54.1° | 57.5° |
| H112 | C11 | N12 | C16 | 179.3° | 177.4° |
| N12 | C13 | C14 | H131 | 120.0° | 120.3° |
| N12 | C13 | C14 | H132 | 121.7° | 120.3° |
| N12 | C13 | H131 | H132 | 121.9° | 123.3° |
| N12 | C13 | C14 | C15 | 29.1° | 4.2° |
| N12 | C13 | C14 | H141 | 90.9° | 124.4° |
| N12 | C13 | C14 | H142 | 152.2° | 116.1° |
| C13 | N12 | C16 | C15 | 31.7° | 44.7° |
| C13 | N12 | C16 | H161 | 151.7° | 73.7° |
| C13 | N12 | C16 | H162 | 91.1° | 163.8° |
| C16 | N12 | C13 | C14 | 1.0° | 30.8° |
| C16 | N12 | C13 | H131 | 119.0° | 151.4° |
| C16 | N12 | C13 | H132 | 122.7° | 87.5° |
| N12 | C16 | C15 | C14 | 48.8° | 40.6° |
| N12 | C16 | C15 | H161 | 120.0° | 118.6° |
| N12 | C16 | C15 | H162 | 122.9° | 119.3° |
| N12 | C16 | C15 | N17 | 173.2° | 163.1° |
| N12 | C16 | C15 | H15 | 73.3° | 75.4° |
| N12 | C16 | H161 | H162 | 123.3° | 124.3° |
| C14 | C13 | H131 | H132 | 121.9° | 120.0° |
| C13 | C14 | C15 | H141 | 120.0° | 118.6° |
| C13 | C14 | C15 | H142 | 123.1° | 121.1° |
| C13 | C14 | H141 | H142 | 123.6° | 122.2° |
| C13 | C14 | C15 | C16 | 47.9° | 22.3° |
| C13 | C14 | C15 | N17 | 170.7° | 144.8° |
| C13 | C14 | C15 | H15 | 75.9° | 93.9° |
| H131 | C13 | C14 | C15 | 149.1° | 124.5° |
| H131 | C13 | C14 | H141 | 29.1° | 115.4° |
| H131 | C13 | C14 | H142 | 87.8° | 4.2° |
| H132 | C13 | C14 | C15 | 92.6° | 116.1° |
| H132 | C13 | C14 | H141 | 147.4° | 4.1° |
| H132 | C13 | C14 | H142 | 30.5° | 123.6° |
| C15 | C14 | H141 | H142 | 123.6° | 122.1° |
| C14 | C15 | C16 | N17 | 124.5° | 122.5° |
| C14 | C15 | C16 | H15 | 122.1° | 115.9° |
| C14 | C15 | N17 | H15 | 121.9° | 121.3° |
| C14 | C15 | C16 | H161 | 168.8° | 78.0° |
| C14 | C15 | C16 | H162 | 74.1° | 159.9° |
| C14 | C15 | N17 | C18 | 64.4° | 180.0° |
| C14 | C15 | N17 | C19 | 168.7° | 57.6° |
| H141 | C14 | C15 | C16 | 72.1° | 96.3° |
| H141 | C14 | C15 | N17 | 50.8° | 26.2° |
| H141 | C14 | C15 | H15 | 164.1° | 147.4° |
| H142 | C14 | C15 | C16 | 171.0° | 143.4° |
| H142 | C14 | C15 | N17 | 66.2° | 94.1° |
| H142 | C14 | C15 | H15 | 47.2° | 27.2° |
| C16 | C15 | N17 | H15 | 123.6° | 121.8° |
| C15 | C16 | H161 | H162 | 123.2° | 123.8° |
| C16 | C15 | N17 | C18 | 178.9° | 63.1° |
| C16 | C15 | N17 | C19 | 54.2° | 174.4° |
| N17 | C15 | C16 | H161 | 66.8° | 44.5° |
| N17 | C15 | C16 | H162 | 50.4° | 77.6° |
| C15 | N17 | C18 | C19 | 126.4° | 122.9° |
| C15 | N17 | C18 | H181 | 66.9° | 54.0° |
| C15 | N17 | C18 | H182 | 173.1° | 66.0° |
| C15 | N17 | C18 | H183 | 53.1° | 174.0° |
| C15 | N17 | C19 | H191 | 165.8° | 81.5° |
| C15 | N17 | C19 | H192 | 74.1° | 158.4° |
| C15 | N17 | C19 | H193 | 45.9° | 38.5° |
| H15 | C15 | C16 | H161 | 46.6° | 166.0° |
| H15 | C15 | C16 | H162 | 163.8° | 43.9° |
| H15 | C15 | N17 | C18 | 57.5° | 58.7° |
| H15 | C15 | N17 | C19 | 69.4° | 63.7° |
| N17 | C18 | H181 | H182 | 120.0° | 121.0° |
| N17 | C18 | H181 | H183 | 119.9° | 120.9° |
| N17 | C18 | H182 | H183 | 120.0° | 120.9° |
| C18 | N17 | C19 | H191 | 64.4° | 155.6° |
| C18 | N17 | C19 | H192 | 55.7° | 35.6° |
| C18 | N17 | C19 | H193 | 175.7° | 84.4° |
| C19 | N17 | C18 | H181 | 59.5° | 176.9° |
| C19 | N17 | C18 | H182 | 60.5° | 56.9° |
| C19 | N17 | C18 | H183 | 179.4° | 63.1° |
| N17 | C19 | H191 | H192 | 120.1° | 120.9° |
| N17 | C19 | H191 | H193 | 120.0° | 120.9° |
| N17 | C19 | H192 | H193 | 120.0° | 120.9° |
| H181 | C18 | H182 | H183 | 120.0° | 118.2° |
| H191 | C19 | H192 | H193 | 119.9° | 118.2° |
| C25 | N20 | C21 | N22 | 0.1° | 0.0° |
| C25 | N20 | C21 | H21 | 179.9° | 179.9° |
| N20 | C25 | C24 | C23 | 0.1° | 0.0° |
| N20 | C25 | C24 | C26 | 179.8° | 180.0° |
| N20 | C25 | C24 | H25 | 180.0° | 179.9° |
| N20 | C21 | N22 | H21 | 180.0° | 180.0° |
| N20 | C21 | N22 | C23 | 0.1° | 0.0° |
| C21 | N20 | C25 | C24 | 0.2° | 0.1° |
| C21 | N20 | C25 | H25 | 179.8° | 180.0° |
| C21 | N22 | C23 | C24 | 0.1° | 0.0° |
| C21 | N22 | C23 | H23 | 179.9° | 180.0° |
| H21 | C21 | N22 | C23 | 179.9° | 180.0° |
| N22 | C23 | C24 | H23 | 180.0° | 179.9° |
| N22 | C23 | C24 | C26 | 179.9° | 179.9° |
| N22 | C23 | C24 | C25 | 0.0° | 0.0° |
| C23 | C24 | C26 | C25 | 179.9° | 179.9° |
| C23 | C24 | C25 | H25 | 179.9° | 180.0° |
| C23 | C24 | C26 | C31 | 179.2° | 150.0° |
| C23 | C24 | C26 | N27 | 0.1° | 29.9° |
| H23 | C23 | C24 | C26 | 0.1° | 0.0° |
| H23 | C23 | C24 | C25 | 180.0° | 180.0° |
| C26 | C24 | C25 | H25 | 0.2° | 0.1° |
| C24 | C26 | C31 | N27 | 179.3° | 179.9° |
| C24 | C26 | N27 | C28 | 179.9° | 180.0° |
| C24 | C26 | C31 | C30 | 179.6° | 179.9° |
| C24 | C26 | C31 | H31 | 0.4° | 0.0° |
| C25 | C24 | C26 | C31 | 0.9° | 30.0° |
| C25 | C24 | C26 | N27 | 179.8° | 150.0° |
| C31 | C26 | N27 | C28 | 0.6° | 0.1° |
| C26 | C31 | C30 | N29 | 0.3° | 0.0° |
| C26 | C31 | C30 | H31 | 180.0° | 179.9° |
| C26 | C31 | C30 | H30 | 179.6° | 180.0° |
| C26 | N27 | C28 | N32 | 179.9° | 179.9° |
| C26 | N27 | C28 | N29 | 1.0° | 0.1° |
| N27 | C26 | C31 | C30 | 0.3° | 0.0° |
| N27 | C26 | C31 | H31 | 179.7° | 179.9° |
| N27 | C28 | N32 | N29 | 179.0° | 180.0° |
| N27 | C28 | N29 | C30 | 1.0° | 0.1° |
| N27 | C28 | N32 | C38 | 179.0° | 0.0° |
| N27 | C28 | N32 | H32 | 1.0° | 180.0° |
| N32 | C28 | N29 | C30 | 179.9° | 180.0° |
| C28 | N32 | C38 | H32 | 180.0° | 179.9° |
| C28 | N32 | C38 | C33 | 91.9° | 30.1° |
| C28 | N32 | C38 | C37 | 87.6° | 149.9° |
| C28 | N29 | C30 | C31 | 0.7° | 0.0° |
| C28 | N29 | C30 | H30 | 179.3° | 180.0° |
| N29 | C28 | N32 | C38 | 0.0° | 179.9° |
| N29 | C28 | N32 | H32 | 180.0° | 0.0° |
| N29 | C30 | C31 | H30 | 180.0° | 180.0° |
| N29 | C30 | C31 | H31 | 179.6° | 179.9° |
| H30 | C30 | C31 | H31 | 0.4° | 0.1° |
| N32 | C38 | C33 | C34 | 179.6° | 180.0° |
| N32 | C38 | C33 | C37 | 179.5° | 180.0° |
| N32 | C38 | C33 | H33 | 0.4° | 0.0° |
| N32 | C38 | C37 | C36 | 179.5° | 180.0° |
| N32 | C38 | C37 | C39 | 0.4° | 0.0° |
| H32 | N32 | C38 | C33 | 88.1° | 150.0° |
| H32 | N32 | C38 | C37 | 92.4° | 30.0° |
| C34 | C33 | C38 | H33 | 180.0° | 180.0° |
| C33 | C34 | C35 | N40 | 179.8° | 179.9° |
| C33 | C34 | C35 | C36 | 0.0° | 0.0° |
| C33 | C34 | C35 | H35 | 180.0° | 179.9° |
| C34 | C33 | C38 | C37 | 0.1° | 0.0° |
| C33 | C34 | N40 | C41 | 0.1° | 0.0° |
| C33 | C34 | N40 | H40 | 179.9° | 180.0° |
| C38 | C33 | C34 | C35 | 0.1° | 0.0° |
| C38 | C33 | C34 | N40 | 179.9° | 180.0° |
| C33 | C38 | C37 | C36 | 0.1° | 0.0° |
| C33 | C38 | C37 | C39 | 179.8° | 180.0° |
| H33 | C33 | C34 | C35 | 179.9° | 179.9° |
| H33 | C33 | C34 | N40 | 0.1° | 0.0° |
| H33 | C33 | C38 | C37 | 179.9° | 180.0° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C34 | C35 | C36 | C37 | 0.0° | 0.0° |
| C34 | C35 | C36 | H36 | 180.0° | 180.0° |
| C35 | C34 | N40 | C41 | 179.7° | 180.0° |
| C35 | C34 | N40 | H40 | 0.3° | 0.0° |
| N40 | C34 | C35 | C36 | 179.8° | 180.0° |
| N40 | C34 | C35 | H35 | 0.2° | 0.0° |
| C34 | N40 | C41 | H40 | 180.0° | 180.0° |
| C34 | N40 | C41 | O42 | 12.6° | 0.0° |
| C35 | C36 | C37 | H36 | 180.0° | 179.9° |
| C35 | C36 | C37 | C39 | 179.9° | 180.0° |
| C35 | C36 | C37 | C38 | 0.0° | 0.0° |
| H35 | C35 | C36 | C37 | 180.0° | 180.0° |
| H35 | C35 | C36 | H36 | 0.0° | 0.1° |
| C36 | C37 | C39 | C38 | 179.9° | 180.0° |
| C36 | C37 | C39 | H391 | 124.5° | 146.0° |
| C36 | C37 | C39 | H392 | 4.5° | 93.4° |
| C36 | C37 | C39 | H393 | 115.5° | 25.6° |
| H36 | C36 | C37 | C39 | 0.1° | 0.0° |
| H36 | C36 | C37 | C38 | 180.0° | 180.0° |
| C37 | C39 | H391 | H392 | 120.0° | 122.1° |
| C37 | C39 | H391 | H393 | 120.0° | 122.0° |
| C37 | C39 | H392 | H393 | 120.0° | 121.5° |
| C38 | C37 | C39 | H391 | 55.4° | 33.9° |
| C38 | C37 | C39 | H392 | 175.3° | 86.6° |
| C38 | C37 | C39 | H393 | 64.7° | 154.4° |
| H391 | C39 | H392 | H393 | 120.0° | 117.0° |
| H40 | N40 | C41 | O42 | 167.4° | 180.0° |
