TBZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.49Å | |
| N1 | HN11 | sing | 1.01Å | 1.02Å | |
| N1 | HN12 | sing | 1.01Å | 1.02Å | |
| N1 | HN13 | sing | 1.01Å | 1.02Å | |
| C1 | C2 | sing | 1.55Å | 1.54Å | |
| C1 | C4 | sing | 1.55Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.11Å | |
| C2 | N2 | sing | 1.48Å | 1.41Å | |
| C2 | H21 | sing | 1.09Å | 1.12Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| N2 | C3 | sing | 1.48Å | 1.40Å | |
| N2 | C5 | sing | 1.40Å | 1.29Å | |
| C3 | C4 | sing | 1.54Å | 1.64Å | |
| C3 | H31A | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C5 | C10 | sing | 1.39Å | 1.35Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C8 | doub | 1.41Å | 1.41Å | Aromatic |
| C7 | N3 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.37Å | Aromatic |
| C8 | N4 | sing | 1.36Å | 1.38Å | Aromatic |
| C9 | C10 | doub | 1.36Å | 1.34Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| N3 | C11 | sing | 1.37Å | 1.41Å | Aromatic |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C11 | N4 | doub | 1.31Å | 1.29Å | Aromatic |
| C11 | C12 | sing | 1.48Å | 1.33Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.36Å | Aromatic |
| C12 | C17 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | doub | 1.41Å | 1.37Å | Aromatic |
| C14 | N5 | sing | 1.38Å | 1.31Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.43Å | Aromatic |
| C15 | N6 | sing | 1.35Å | 1.41Å | Aromatic |
| C16 | C17 | doub | 1.36Å | 1.42Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| N5 | C18 | sing | 1.37Å | 1.35Å | Aromatic |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| C18 | N6 | doub | 1.31Å | 1.31Å | Aromatic |
| C18 | C19 | sing | 1.48Å | 1.36Å | Aromatic |
| C19 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | C24 | sing | 1.40Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | doub | 1.41Å | 1.41Å | Aromatic |
| C21 | N7 | sing | 1.38Å | 1.36Å | Aromatic |
| C22 | C23 | sing | 1.40Å | 1.41Å | Aromatic |
| C22 | N8 | sing | 1.35Å | 1.39Å | Aromatic |
| C23 | C24 | doub | 1.36Å | 1.40Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| N7 | C25 | sing | 1.37Å | 1.40Å | Aromatic |
| N7 | HN7 | sing | 0.97Å | 1.02Å | |
| C25 | N8 | doub | 1.31Å | 1.32Å | Aromatic |
| C25 | C26 | sing | 1.48Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.40Å | 1.38Å | Aromatic |
| C26 | C31 | doub | 1.40Å | 1.41Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | sing | 1.39Å | 1.43Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | C30 | doub | 1.39Å | 1.43Å | Aromatic |
| C29 | O1 | sing | 1.36Å | 1.41Å | |
| C30 | C31 | sing | 1.38Å | 1.42Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| C31 | H31 | sing | 1.08Å | 1.10Å | |
| O1 | C32 | sing | 1.43Å | 1.46Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.12Å | |
| C32 | H323 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | HN11 | 108.7° | 109.5° |
| C1 | N1 | HN12 | 112.5° | 109.5° |
| C1 | N1 | HN13 | 112.5° | 109.5° |
| N1 | C1 | C2 | 108.7° | 110.9° |
| N1 | C1 | C4 | 112.8° | 110.7° |
| N1 | C1 | H1 | 104.2° | 110.7° |
| HN11 | N1 | HN12 | 112.5° | 109.5° |
| HN11 | N1 | HN13 | 112.6° | 109.5° |
| HN12 | N1 | HN13 | 97.9° | 109.4° |
| C2 | C1 | C4 | 95.2° | 102.9° |
| C2 | C1 | H1 | 119.8° | 110.7° |
| C1 | C2 | N2 | 99.5° | 103.2° |
| C1 | C2 | H21 | 116.0° | 110.6° |
| C1 | C2 | H22 | 116.1° | 110.6° |
| C4 | C1 | H1 | 116.2° | 110.7° |
| C1 | C4 | C3 | 103.7° | 105.1° |
| C1 | C4 | H41 | 114.4° | 110.3° |
| C1 | C4 | H42 | 114.4° | 110.3° |
| N2 | C2 | H21 | 116.0° | 110.7° |
| N2 | C2 | H22 | 116.0° | 110.7° |
| C2 | N2 | C3 | 95.1° | 105.9° |
| C2 | N2 | C5 | 124.4° | 106.7° |
| H21 | C2 | H22 | 94.4° | 110.7° |
| C3 | N2 | C5 | 115.8° | 106.7° |
| N2 | C3 | C4 | 92.5° | 107.1° |
| N2 | C3 | H31A | 118.9° | 109.9° |
| N2 | C3 | H32 | 118.9° | 110.0° |
| N2 | C5 | C6 | 122.5° | 119.8° |
| N2 | C5 | C10 | 109.6° | 119.9° |
| C4 | C3 | H31A | 119.0° | 109.9° |
| C4 | C3 | H32 | 118.9° | 109.9° |
| C3 | C4 | H41 | 114.4° | 110.3° |
| C3 | C4 | H42 | 114.4° | 110.3° |
| H31A | C3 | H32 | 91.2° | 110.1° |
| H41 | C4 | H42 | 96.1° | 110.4° |
| C6 | C5 | C10 | 127.7° | 120.3° |
| C5 | C6 | C7 | 114.0° | 119.6° |
| C5 | C6 | H6 | 123.7° | 120.2° |
| C5 | C10 | C9 | 116.7° | 120.6° |
| C5 | C10 | H10 | 122.1° | 119.7° |
| C7 | C6 | H6 | 122.3° | 120.2° |
| C6 | C7 | C8 | 117.8° | 119.9° |
| C6 | C7 | N3 | 138.6° | 133.9° |
| C8 | C7 | N3 | 103.6° | 106.2° |
| C7 | C8 | C9 | 123.4° | 119.5° |
| C7 | C8 | N4 | 110.3° | 107.2° |
| C7 | N3 | C11 | 108.1° | 107.2° |
| C7 | N3 | HN3 | 125.2° | 126.4° |
| C9 | C8 | N4 | 126.2° | 133.3° |
| C8 | C9 | C10 | 120.1° | 120.1° |
| C8 | C9 | H9 | 121.2° | 120.0° |
| C8 | N4 | C11 | 107.4° | 109.7° |
| C10 | C9 | H9 | 118.8° | 120.0° |
| C9 | C10 | H10 | 121.2° | 119.7° |
| C11 | N3 | HN3 | 126.7° | 126.4° |
| N3 | C11 | N4 | 110.5° | 109.7° |
| N3 | C11 | C12 | 131.6° | 125.1° |
| N4 | C11 | C12 | 117.9° | 125.1° |
| C11 | C12 | C13 | 120.0° | 119.9° |
| C11 | C12 | C17 | 118.0° | 120.0° |
| C13 | C12 | C17 | 122.0° | 120.1° |
| C12 | C13 | C14 | 119.7° | 119.6° |
| C12 | C13 | H13 | 119.4° | 120.2° |
| C12 | C17 | C16 | 117.2° | 120.6° |
| C12 | C17 | H17 | 120.2° | 119.7° |
| C14 | C13 | H13 | 121.0° | 120.2° |
| C13 | C14 | C15 | 122.9° | 119.9° |
| C13 | C14 | N5 | 130.6° | 133.9° |
| C15 | C14 | N5 | 106.5° | 106.2° |
| C14 | C15 | C16 | 116.1° | 119.6° |
| C14 | C15 | N6 | 107.6° | 107.2° |
| C14 | N5 | C18 | 110.5° | 107.1° |
| C14 | N5 | HN5 | 123.4° | 126.5° |
| C16 | C15 | N6 | 136.3° | 133.2° |
| C15 | C16 | C17 | 122.0° | 120.1° |
| C15 | C16 | H16 | 119.4° | 119.9° |
| C15 | N6 | C18 | 106.1° | 109.8° |
| C17 | C16 | H16 | 118.6° | 120.0° |
| C16 | C17 | H17 | 122.6° | 119.7° |
| C18 | N5 | HN5 | 126.1° | 126.4° |
| N5 | C18 | N6 | 109.3° | 109.7° |
| N5 | C18 | C19 | 121.4° | 125.1° |
| N6 | C18 | C19 | 129.3° | 125.2° |
| C18 | C19 | C20 | 124.0° | 119.9° |
| C18 | C19 | C24 | 113.0° | 120.0° |
| C20 | C19 | C24 | 123.1° | 120.2° |
| C19 | C20 | C21 | 118.6° | 119.5° |
| C19 | C20 | H20 | 120.5° | 120.2° |
| C19 | C24 | C23 | 117.1° | 120.5° |
| C19 | C24 | H24 | 121.0° | 119.7° |
| C21 | C20 | H20 | 120.9° | 120.2° |
| C20 | C21 | C22 | 119.3° | 120.0° |
| C20 | C21 | N7 | 136.0° | 133.8° |
| C22 | C21 | N7 | 104.8° | 106.2° |
| C21 | C22 | C23 | 119.6° | 119.6° |
| C21 | C22 | N8 | 110.7° | 107.2° |
| C21 | N7 | C25 | 108.2° | 107.0° |
| C21 | N7 | HN7 | 124.6° | 126.6° |
| C23 | C22 | N8 | 129.7° | 133.2° |
| C22 | C23 | C24 | 122.3° | 120.1° |
| C22 | C23 | H23 | 119.0° | 119.9° |
| C22 | N8 | C25 | 105.5° | 109.8° |
| C24 | C23 | H23 | 118.7° | 120.0° |
| C23 | C24 | H24 | 121.9° | 119.8° |
| C25 | N7 | HN7 | 127.2° | 126.4° |
| N7 | C25 | N8 | 110.9° | 109.8° |
| N7 | C25 | C26 | 124.9° | 125.1° |
| N8 | C25 | C26 | 124.3° | 125.1° |
| C25 | C26 | C27 | 116.5° | 120.1° |
| C25 | C26 | C31 | 121.4° | 120.0° |
| C27 | C26 | C31 | 122.0° | 119.8° |
| C26 | C27 | C28 | 119.0° | 119.9° |
| C26 | C27 | H27 | 119.7° | 120.0° |
| C26 | C31 | C30 | 120.1° | 119.9° |
| C26 | C31 | H31 | 119.9° | 120.1° |
| C28 | C27 | H27 | 121.3° | 120.1° |
| C27 | C28 | C29 | 120.7° | 120.1° |
| C27 | C28 | H28 | 118.8° | 120.0° |
| C29 | C28 | H28 | 120.5° | 120.0° |
| C28 | C29 | C30 | 119.7° | 120.2° |
| C28 | C29 | O1 | 117.6° | 119.9° |
| C30 | C29 | O1 | 122.7° | 119.9° |
| C29 | C30 | C31 | 118.4° | 120.1° |
| C29 | C30 | H30 | 121.4° | 120.0° |
| C29 | O1 | C32 | 121.4° | 106.8° |
| C31 | C30 | H30 | 120.2° | 120.0° |
| C30 | C31 | H31 | 120.1° | 120.0° |
| O1 | C32 | H321 | 121.5° | 109.5° |
| O1 | C32 | H322 | 108.0° | 109.5° |
| O1 | C32 | H323 | 108.0° | 109.5° |
| H321 | C32 | H322 | 107.9° | 109.5° |
| H321 | C32 | H323 | 107.9° | 109.4° |
| H322 | C32 | H323 | 101.9° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | HN11 | HN12 | 125.2° | 120.0° |
| C1 | N1 | HN11 | HN13 | 125.3° | 120.0° |
| C1 | N1 | HN12 | HN13 | 118.4° | 120.0° |
| N1 | C1 | C2 | C4 | 116.2° | 118.4° |
| N1 | C1 | C2 | H1 | 119.6° | 123.3° |
| N1 | C1 | C4 | H1 | 120.3° | 123.2° |
| N1 | C1 | C2 | N2 | 72.7° | 155.8° |
| N1 | C1 | C2 | H21 | 52.5° | 85.7° |
| N1 | C1 | C2 | H22 | 162.0° | 37.3° |
| N1 | C1 | C4 | C3 | 108.7° | 140.5° |
| N1 | C1 | C4 | H41 | 126.1° | 21.6° |
| N1 | C1 | C4 | H42 | 16.5° | 100.6° |
| HN11 | N1 | HN12 | HN13 | 118.5° | 120.0° |
| HN11 | N1 | C1 | C2 | 180.0° | 175.0° |
| HN11 | N1 | C1 | C4 | 75.8° | 61.5° |
| HN11 | N1 | C1 | H1 | 51.1° | 61.7° |
| HN12 | N1 | C1 | C2 | 54.7° | 64.9° |
| HN12 | N1 | C1 | C4 | 158.9° | 178.5° |
| HN12 | N1 | C1 | H1 | 74.1° | 58.3° |
| HN13 | N1 | C1 | C2 | 54.7° | 55.0° |
| HN13 | N1 | C1 | C4 | 49.5° | 58.6° |
| HN13 | N1 | C1 | H1 | 176.4° | 178.3° |
| C2 | C1 | C4 | H1 | 126.9° | 118.3° |
| C1 | C2 | N2 | H21 | 125.3° | 118.4° |
| C1 | C2 | N2 | H22 | 125.3° | 118.4° |
| C1 | C2 | H21 | H22 | 121.9° | 123.0° |
| C1 | C2 | N2 | C3 | 73.7° | 39.2° |
| C1 | C2 | N2 | C5 | 160.0° | 152.6° |
| C2 | C1 | C4 | C3 | 4.1° | 21.9° |
| C2 | C1 | C4 | H41 | 121.1° | 97.0° |
| C2 | C1 | C4 | H42 | 129.3° | 140.9° |
| C4 | C1 | C2 | N2 | 43.5° | 37.4° |
| C4 | C1 | C2 | H21 | 168.8° | 155.9° |
| C4 | C1 | C2 | H22 | 81.7° | 81.1° |
| C1 | C4 | C3 | N2 | 35.9° | 1.2° |
| C1 | C4 | C3 | H41 | 125.3° | 118.9° |
| C1 | C4 | C3 | H42 | 125.2° | 118.9° |
| C1 | C4 | C3 | H31A | 161.1° | 118.1° |
| C1 | C4 | C3 | H32 | 89.3° | 120.6° |
| C1 | C4 | H41 | H42 | 120.3° | 122.2° |
| H1 | C1 | C2 | N2 | 167.7° | 80.9° |
| H1 | C1 | C2 | H21 | 67.0° | 37.6° |
| H1 | C1 | C2 | H22 | 42.5° | 160.6° |
| H1 | C1 | C4 | C3 | 131.0° | 96.3° |
| H1 | C1 | C4 | H41 | 5.8° | 144.7° |
| H1 | C1 | C4 | H42 | 103.7° | 22.6° |
| N2 | C2 | H21 | H22 | 121.8° | 123.2° |
| C2 | N2 | C3 | C5 | 132.4° | 113.4° |
| C2 | N2 | C3 | C4 | 63.8° | 25.3° |
| C2 | N2 | C3 | H31A | 170.8° | 94.0° |
| C2 | N2 | C3 | H32 | 61.4° | 144.7° |
| C2 | N2 | C5 | C6 | 141.1° | 48.0° |
| C2 | N2 | C5 | C10 | 43.4° | 131.9° |
| H21 | C2 | N2 | C3 | 161.0° | 157.6° |
| H21 | C2 | N2 | C5 | 34.8° | 89.0° |
| H22 | C2 | N2 | C3 | 51.6° | 79.2° |
| H22 | C2 | N2 | C5 | 74.6° | 34.2° |
| N2 | C3 | C4 | H31A | 125.3° | 119.3° |
| N2 | C3 | C4 | H32 | 125.2° | 119.4° |
| N2 | C3 | H31A | H32 | 124.3° | 121.3° |
| N2 | C3 | C4 | H41 | 161.1° | 120.1° |
| N2 | C3 | C4 | H42 | 89.4° | 117.8° |
| C3 | N2 | C5 | C6 | 102.0° | 64.8° |
| C3 | N2 | C5 | C10 | 73.5° | 115.3° |
| C5 | N2 | C3 | C4 | 163.8° | 138.7° |
| C5 | N2 | C3 | H31A | 38.5° | 19.5° |
| C5 | N2 | C3 | H32 | 70.9° | 101.9° |
| N2 | C5 | C6 | C10 | 174.6° | 180.0° |
| N2 | C5 | C6 | C7 | 168.9° | 180.0° |
| N2 | C5 | C6 | H6 | 11.1° | 0.0° |
| N2 | C5 | C10 | C9 | 169.2° | 179.9° |
| N2 | C5 | C10 | H10 | 10.9° | 0.0° |
| C4 | C3 | H31A | H32 | 124.4° | 121.2° |
| C3 | C4 | H41 | H42 | 120.3° | 122.1° |
| H31A | C3 | C4 | H41 | 73.6° | 0.8° |
| H31A | C3 | C4 | H42 | 35.9° | 123.0° |
| H32 | C3 | C4 | H41 | 35.9° | 120.5° |
| H32 | C3 | C4 | H42 | 145.4° | 1.7° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C8 | 1.8° | 0.0° |
| C5 | C6 | C7 | N3 | 176.2° | 180.0° |
| C6 | C5 | C10 | C9 | 6.0° | 0.0° |
| C6 | C5 | C10 | H10 | 173.9° | 180.0° |
| C10 | C5 | C6 | C7 | 5.7° | 0.0° |
| C10 | C5 | C6 | H6 | 174.3° | 180.0° |
| C5 | C10 | C9 | C8 | 2.2° | 0.0° |
| C5 | C10 | C9 | H10 | 180.0° | 180.0° |
| C5 | C10 | C9 | H9 | 177.8° | 180.0° |
| C6 | C7 | C8 | N3 | 178.6° | 180.0° |
| C6 | C7 | C8 | C9 | 1.3° | 0.0° |
| C6 | C7 | C8 | N4 | 176.8° | 179.8° |
| C6 | C7 | N3 | C11 | 177.3° | 180.0° |
| C6 | C7 | N3 | HN3 | 2.7° | 0.0° |
| H6 | C6 | C7 | C8 | 178.2° | 180.0° |
| H6 | C6 | C7 | N3 | 3.8° | 0.0° |
| C7 | C8 | C9 | N4 | 177.9° | 179.7° |
| C7 | C8 | C9 | C10 | 1.2° | 0.0° |
| C7 | C8 | C9 | H9 | 178.8° | 180.0° |
| C8 | C7 | N3 | C11 | 0.8° | 0.0° |
| C8 | C7 | N3 | HN3 | 179.1° | 180.0° |
| C7 | C8 | N4 | C11 | 2.1° | 0.4° |
| N3 | C7 | C8 | C9 | 179.9° | 180.0° |
| N3 | C7 | C8 | N4 | 1.8° | 0.2° |
| C7 | N3 | C11 | HN3 | 179.9° | 179.9° |
| C7 | N3 | C11 | N4 | 0.5° | 0.2° |
| C7 | N3 | C11 | C12 | 179.9° | 180.0° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | H10 | 177.7° | 180.0° |
| C9 | C8 | N4 | C11 | 179.8° | 179.9° |
| N4 | C8 | C9 | C10 | 176.7° | 179.7° |
| N4 | C8 | C9 | H9 | 3.4° | 0.3° |
| C8 | N4 | C11 | N3 | 1.6° | 0.3° |
| C8 | N4 | C11 | C12 | 178.9° | 179.9° |
| H9 | C9 | C10 | H10 | 2.2° | 0.0° |
| N3 | C11 | N4 | C12 | 179.5° | 179.8° |
| N3 | C11 | C12 | C13 | 20.8° | 140.3° |
| N3 | C11 | C12 | C17 | 159.0° | 39.7° |
| HN3 | N3 | C11 | N4 | 179.6° | 179.7° |
| HN3 | N3 | C11 | C12 | 0.2° | 0.0° |
| N4 | C11 | C12 | C13 | 159.7° | 40.0° |
| N4 | C11 | C12 | C17 | 20.4° | 140.0° |
| C11 | C12 | C13 | C17 | 179.9° | 180.0° |
| C11 | C12 | C13 | C14 | 178.9° | 180.0° |
| C11 | C12 | C13 | H13 | 1.1° | 0.1° |
| C11 | C12 | C17 | C16 | 178.6° | 180.0° |
| C11 | C12 | C17 | H17 | 1.4° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.5° | 0.1° |
| C12 | C13 | C14 | N5 | 179.2° | 180.0° |
| C13 | C12 | C17 | C16 | 1.3° | 0.0° |
| C13 | C12 | C17 | H17 | 178.7° | 180.0° |
| C17 | C12 | C13 | C14 | 0.9° | 0.1° |
| C17 | C12 | C13 | H13 | 179.0° | 179.9° |
| C12 | C17 | C16 | C15 | 0.3° | 0.0° |
| C12 | C17 | C16 | H17 | 180.0° | 179.9° |
| C12 | C17 | C16 | H16 | 179.8° | 179.9° |
| C13 | C14 | C15 | N5 | 179.8° | 179.9° |
| C13 | C14 | C15 | C16 | 1.4° | 0.0° |
| C13 | C14 | C15 | N6 | 177.3° | 179.7° |
| C13 | C14 | N5 | C18 | 178.9° | 179.9° |
| C13 | C14 | N5 | HN5 | 1.2° | 0.1° |
| H13 | C13 | C14 | C15 | 179.6° | 179.9° |
| H13 | C13 | C14 | N5 | 0.7° | 0.2° |
| C14 | C15 | C16 | N6 | 178.1° | 179.7° |
| C14 | C15 | C16 | C17 | 1.0° | 0.0° |
| C14 | C15 | C16 | H16 | 178.9° | 179.9° |
| C15 | C14 | N5 | C18 | 1.4° | 0.0° |
| C15 | C14 | N5 | HN5 | 178.6° | 180.0° |
| C14 | C15 | N6 | C18 | 3.5° | 0.4° |
| N5 | C14 | C15 | C16 | 178.4° | 180.0° |
| N5 | C14 | C15 | N6 | 3.0° | 0.2° |
| C14 | N5 | C18 | HN5 | 179.9° | 179.9° |
| C14 | N5 | C18 | N6 | 0.9° | 0.3° |
| C14 | N5 | C18 | C19 | 179.0° | 180.0° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | H17 | 179.7° | 179.9° |
| C16 | C15 | N6 | C18 | 178.2° | 179.9° |
| N6 | C15 | C16 | C17 | 177.1° | 179.7° |
| N6 | C15 | C16 | H16 | 2.9° | 0.4° |
| C15 | N6 | C18 | N5 | 2.7° | 0.4° |
| C15 | N6 | C18 | C19 | 177.2° | 179.8° |
| H16 | C16 | C17 | H17 | 0.3° | 0.0° |
| N5 | C18 | N6 | C19 | 179.9° | 179.8° |
| N5 | C18 | C19 | C20 | 15.5° | 140.3° |
| N5 | C18 | C19 | C24 | 164.1° | 39.7° |
| HN5 | N5 | C18 | N6 | 179.1° | 179.8° |
| HN5 | N5 | C18 | C19 | 0.9° | 0.0° |
| N6 | C18 | C19 | C20 | 164.5° | 40.0° |
| N6 | C18 | C19 | C24 | 15.9° | 140.0° |
| C18 | C19 | C20 | C24 | 179.6° | 180.0° |
| C18 | C19 | C20 | C21 | 178.7° | 180.0° |
| C18 | C19 | C20 | H20 | 1.4° | 0.0° |
| C18 | C19 | C24 | C23 | 178.0° | 179.9° |
| C18 | C19 | C24 | H24 | 2.0° | 0.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 1.0° | 0.0° |
| C19 | C20 | C21 | N7 | 179.8° | 180.0° |
| C20 | C19 | C24 | C23 | 1.6° | 0.1° |
| C20 | C19 | C24 | H24 | 178.4° | 179.9° |
| C24 | C19 | C20 | C21 | 0.9° | 0.0° |
| C24 | C19 | C20 | H20 | 179.1° | 180.0° |
| C19 | C24 | C23 | C22 | 0.5° | 0.1° |
| C19 | C24 | C23 | H24 | 180.0° | 179.9° |
| C19 | C24 | C23 | H23 | 179.6° | 179.9° |
| C20 | C21 | C22 | N7 | 179.5° | 180.0° |
| C20 | C21 | C22 | C23 | 2.0° | 0.0° |
| C20 | C21 | C22 | N8 | 178.2° | 179.7° |
| C20 | C21 | N7 | C25 | 179.1° | 180.0° |
| C20 | C21 | N7 | HN7 | 0.9° | 0.0° |
| H20 | C20 | C21 | C22 | 179.1° | 179.9° |
| H20 | C20 | C21 | N7 | 0.2° | 0.1° |
| C21 | C22 | C23 | N8 | 179.8° | 179.6° |
| C21 | C22 | C23 | C24 | 1.3° | 0.1° |
| C21 | C22 | C23 | H23 | 178.7° | 180.0° |
| C22 | C21 | N7 | C25 | 0.2° | 0.0° |
| C22 | C21 | N7 | HN7 | 179.7° | 180.0° |
| C21 | C22 | N8 | C25 | 1.9° | 0.5° |
| N7 | C21 | C22 | C23 | 178.5° | 180.0° |
| N7 | C21 | C22 | N8 | 1.3° | 0.3° |
| C21 | N7 | C25 | HN7 | 180.0° | 180.0° |
| C21 | N7 | C25 | N8 | 1.0° | 0.3° |
| C21 | N7 | C25 | C26 | 178.4° | 180.0° |
| C22 | C23 | C24 | H23 | 179.9° | 180.0° |
| C22 | C23 | C24 | H24 | 179.5° | 180.0° |
| C23 | C22 | N8 | C25 | 177.9° | 179.9° |
| N8 | C22 | C23 | C24 | 178.9° | 179.6° |
| N8 | C22 | C23 | H23 | 1.2° | 0.4° |
| C22 | N8 | C25 | N7 | 1.8° | 0.5° |
| C22 | N8 | C25 | C26 | 177.6° | 179.8° |
| H23 | C23 | C24 | H24 | 0.5° | 0.1° |
| N7 | C25 | N8 | C26 | 179.4° | 179.7° |
| N7 | C25 | C26 | C27 | 4.2° | 39.8° |
| N7 | C25 | C26 | C31 | 179.4° | 140.3° |
| HN7 | N7 | C25 | N8 | 179.0° | 179.7° |
| HN7 | N7 | C25 | C26 | 1.6° | 0.0° |
| N8 | C25 | C26 | C27 | 175.1° | 139.9° |
| N8 | C25 | C26 | C31 | 1.3° | 40.0° |
| C25 | C26 | C27 | C31 | 176.4° | 179.9° |
| C25 | C26 | C27 | C28 | 172.6° | 179.8° |
| C25 | C26 | C27 | H27 | 7.4° | 0.1° |
| C25 | C26 | C31 | C30 | 172.6° | 180.0° |
| C25 | C26 | C31 | H31 | 7.4° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.7° |
| C26 | C27 | C28 | C29 | 0.0° | 0.6° |
| C26 | C27 | C28 | H28 | 179.9° | 180.0° |
| C27 | C26 | C31 | C30 | 3.7° | 0.0° |
| C27 | C26 | C31 | H31 | 176.4° | 179.9° |
| C31 | C26 | C27 | C28 | 3.8° | 0.3° |
| C31 | C26 | C27 | H27 | 176.2° | 180.0° |
| C26 | C31 | C30 | C29 | 0.3° | 0.0° |
| C26 | C31 | C30 | H31 | 179.9° | 180.0° |
| C26 | C31 | C30 | H30 | 179.8° | 180.0° |
| C27 | C28 | C29 | H28 | 180.0° | 179.5° |
| C27 | C28 | C29 | C30 | 3.8° | 0.5° |
| C27 | C28 | C29 | O1 | 172.6° | 179.7° |
| H27 | C27 | C28 | C29 | 180.0° | 179.8° |
| H27 | C27 | C28 | H28 | 0.0° | 0.3° |
| C28 | C29 | C30 | O1 | 176.3° | 179.8° |
| C28 | C29 | C30 | C31 | 3.9° | 0.2° |
| C28 | C29 | C30 | H30 | 176.1° | 179.8° |
| C28 | C29 | O1 | C32 | 57.2° | 0.2° |
| H28 | C28 | C29 | C30 | 176.2° | 180.0° |
| H28 | C28 | C29 | O1 | 7.3° | 0.2° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | H31 | 179.7° | 180.0° |
| C30 | C29 | O1 | C32 | 119.2° | 180.0° |
| O1 | C29 | C30 | C31 | 172.4° | 180.0° |
| O1 | C29 | C30 | H30 | 7.6° | 0.0° |
| C29 | O1 | C32 | H321 | 180.0° | 180.0° |
| C29 | O1 | C32 | H322 | 54.7° | 60.0° |
| C29 | O1 | C32 | H323 | 54.7° | 60.0° |
| H30 | C30 | C31 | H31 | 0.3° | 0.0° |
| O1 | C32 | H321 | H322 | 125.3° | 120.0° |
| O1 | C32 | H321 | H323 | 125.3° | 120.0° |
| O1 | C32 | H322 | H323 | 113.6° | 120.0° |
| H321 | C32 | H322 | H323 | 113.4° | 120.0° |
