4PR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.50Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.51Å | |
| C2 | H21A | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C5 | N1 | sing | 1.47Å | 1.44Å | |
| C5 | C19 | sing | 1.53Å | 1.51Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| N1 | C6 | sing | 1.35Å | 1.37Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C6 | O1 | doub | 1.22Å | 1.22Å | |
| C6 | O2 | sing | 1.35Å | 1.36Å | |
| O2 | C7 | sing | 1.45Å | 1.42Å | |
| C7 | C8 | sing | 1.54Å | 1.51Å | |
| C7 | C10 | sing | 1.55Å | 1.52Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | N2 | sing | 1.47Å | 1.43Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| N2 | C9 | sing | 1.47Å | 1.44Å | |
| N2 | C13 | sing | 1.35Å | 1.38Å | |
| C9 | C10 | sing | 1.55Å | 1.51Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C10 | C12 | sing | 1.53Å | 1.51Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C13 | O3 | doub | 1.22Å | 1.23Å | |
| C13 | N3 | sing | 1.35Å | 1.37Å | |
| N3 | C14 | sing | 1.41Å | 1.38Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.42Å | 1.42Å | Aromatic |
| C14 | C17 | doub | 1.36Å | 1.37Å | Aromatic |
| C15 | C16 | sing | 1.51Å | 1.47Å | |
| C15 | N4 | doub | 1.30Å | 1.34Å | Aromatic |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| N4 | O4 | sing | 1.21Å | 1.39Å | Aromatic |
| O4 | C17 | sing | 1.34Å | 1.36Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.47Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H183 | sing | 1.09Å | 1.10Å | |
| C19 | O5 | sing | 1.43Å | 1.42Å | |
| C19 | C20 | sing | 1.51Å | 1.51Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C20 | O6 | doub | 1.21Å | 1.22Å | |
| C20 | N5 | sing | 1.35Å | 1.38Å | |
| N5 | C21 | sing | 1.46Å | 1.45Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C21 | C23 | sing | 1.51Å | 1.49Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | sing | 1.38Å | 1.38Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | H11 | 109.5° | 109.5° |
| C2 | C1 | H12 | 109.5° | 109.5° |
| C2 | C1 | H13 | 109.5° | 109.5° |
| C1 | C2 | C3 | 108.9° | 109.5° |
| C1 | C2 | H21A | 109.8° | 109.4° |
| C1 | C2 | H22 | 109.7° | 109.4° |
| H11 | C1 | H12 | 109.5° | 109.4° |
| H11 | C1 | H13 | 109.5° | 109.5° |
| H12 | C1 | H13 | 109.4° | 109.4° |
| C3 | C2 | H21A | 109.8° | 109.5° |
| C3 | C2 | H22 | 109.7° | 109.5° |
| C2 | C3 | C4 | 108.8° | 109.5° |
| C2 | C3 | H31 | 109.8° | 109.5° |
| C2 | C3 | H32 | 109.7° | 109.5° |
| H21A | C2 | H22 | 109.0° | 109.5° |
| C4 | C3 | H31 | 109.8° | 109.5° |
| C4 | C3 | H32 | 109.7° | 109.5° |
| C3 | C4 | C5 | 110.7° | 109.5° |
| C3 | C4 | H41 | 108.8° | 109.5° |
| C3 | C4 | H42 | 109.1° | 109.4° |
| H31 | C3 | H32 | 108.9° | 109.4° |
| C5 | C4 | H41 | 108.8° | 109.5° |
| C5 | C4 | H42 | 109.0° | 109.5° |
| C4 | C5 | N1 | 107.2° | 109.5° |
| C4 | C5 | C19 | 108.9° | 109.5° |
| C4 | C5 | H5 | 109.7° | 109.5° |
| H41 | C4 | H42 | 110.5° | 109.5° |
| N1 | C5 | C19 | 104.1° | 109.4° |
| N1 | C5 | H5 | 114.1° | 109.4° |
| C5 | N1 | C6 | 122.0° | 120.0° |
| C5 | N1 | HN1 | 119.0° | 120.0° |
| C19 | C5 | H5 | 112.6° | 109.5° |
| C5 | C19 | O5 | 117.2° | 109.4° |
| C5 | C19 | C20 | 112.6° | 109.4° |
| C5 | C19 | H19 | 101.7° | 109.5° |
| C6 | N1 | HN1 | 119.0° | 120.0° |
| N1 | C6 | O1 | 126.6° | 120.0° |
| N1 | C6 | O2 | 108.7° | 120.0° |
| O1 | C6 | O2 | 124.7° | 120.0° |
| C6 | O2 | C7 | 114.1° | 120.0° |
| O2 | C7 | C8 | 107.7° | 110.7° |
| O2 | C7 | C10 | 108.4° | 110.7° |
| O2 | C7 | H7 | 110.2° | 110.6° |
| C8 | C7 | C10 | 105.9° | 103.1° |
| C8 | C7 | H7 | 112.6° | 110.8° |
| C7 | C8 | N2 | 104.3° | 107.3° |
| C7 | C8 | H81 | 112.3° | 109.9° |
| C7 | C8 | H82 | 111.2° | 109.9° |
| C10 | C7 | H7 | 111.9° | 110.7° |
| C7 | C10 | C9 | 105.9° | 101.5° |
| C7 | C10 | C11 | 110.9° | 111.2° |
| C7 | C10 | C12 | 111.0° | 110.9° |
| N2 | C8 | H81 | 112.3° | 109.9° |
| N2 | C8 | H82 | 111.2° | 109.9° |
| C8 | N2 | C9 | 113.7° | 108.7° |
| C8 | N2 | C13 | 121.3° | 125.7° |
| H81 | C8 | H82 | 105.5° | 110.0° |
| C9 | N2 | C13 | 124.7° | 125.6° |
| N2 | C9 | C10 | 105.1° | 104.9° |
| N2 | C9 | H91 | 111.9° | 110.4° |
| N2 | C9 | H92 | 111.0° | 110.4° |
| N2 | C13 | O3 | 123.0° | 120.0° |
| N2 | C13 | N3 | 112.9° | 120.0° |
| C10 | C9 | H91 | 111.9° | 110.4° |
| C10 | C9 | H92 | 111.0° | 110.2° |
| C9 | C10 | C11 | 109.4° | 111.0° |
| C9 | C10 | C12 | 110.9° | 111.0° |
| H91 | C9 | H92 | 106.1° | 110.4° |
| C11 | C10 | C12 | 108.7° | 110.9° |
| C10 | C11 | H111 | 109.4° | 109.5° |
| C10 | C11 | H112 | 109.4° | 109.5° |
| C10 | C11 | H113 | 109.5° | 109.5° |
| C10 | C12 | H121 | 109.4° | 109.5° |
| C10 | C12 | H122 | 109.5° | 109.5° |
| C10 | C12 | H123 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.4° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H121 | C12 | H123 | 109.4° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| O3 | C13 | N3 | 124.1° | 120.0° |
| C13 | N3 | C14 | 119.9° | 120.0° |
| C13 | N3 | HN3 | 120.1° | 120.0° |
| C14 | N3 | HN3 | 120.0° | 120.0° |
| N3 | C14 | C15 | 129.0° | 128.0° |
| N3 | C14 | C17 | 126.4° | 128.1° |
| C15 | C14 | C17 | 104.6° | 103.9° |
| C14 | C15 | C16 | 128.7° | 126.8° |
| C14 | C15 | N4 | 111.3° | 106.3° |
| C14 | C17 | O4 | 109.0° | 106.3° |
| C14 | C17 | C18 | 133.9° | 126.8° |
| C16 | C15 | N4 | 120.1° | 126.8° |
| C15 | C16 | H161 | 109.5° | 109.5° |
| C15 | C16 | H162 | 109.5° | 109.5° |
| C15 | C16 | H163 | 109.5° | 109.5° |
| C15 | N4 | O4 | 105.6° | 111.7° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H161 | C16 | H163 | 109.4° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.5° |
| N4 | O4 | C17 | 109.4° | 111.7° |
| O4 | C17 | C18 | 117.1° | 126.8° |
| C17 | C18 | H181 | 109.4° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.5° |
| C17 | C18 | H183 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H181 | C18 | H183 | 109.5° | 109.4° |
| H182 | C18 | H183 | 109.5° | 109.4° |
| O5 | C19 | C20 | 110.7° | 109.5° |
| O5 | C19 | H19 | 104.1° | 109.5° |
| C19 | O5 | HO5 | 109.5° | 106.8° |
| C20 | C19 | H19 | 109.5° | 109.5° |
| C19 | C20 | O6 | 119.7° | 120.0° |
| C19 | C20 | N5 | 113.1° | 120.0° |
| O6 | C20 | N5 | 127.2° | 120.0° |
| C20 | N5 | C21 | 121.7° | 120.0° |
| C20 | N5 | HN5 | 119.1° | 120.0° |
| C21 | N5 | HN5 | 119.2° | 120.0° |
| N5 | C21 | C22 | 110.7° | 109.5° |
| N5 | C21 | C23 | 113.0° | 109.4° |
| N5 | C21 | H21 | 105.9° | 109.5° |
| C22 | C21 | C23 | 108.6° | 109.5° |
| C22 | C21 | H21 | 110.6° | 109.5° |
| C21 | C22 | H221 | 109.4° | 109.4° |
| C21 | C22 | H222 | 109.5° | 109.5° |
| C21 | C22 | H223 | 109.5° | 109.5° |
| C23 | C21 | H21 | 108.1° | 109.5° |
| C21 | C23 | C24 | 119.6° | 120.0° |
| C21 | C23 | C28 | 121.1° | 120.0° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H221 | C22 | H223 | 109.4° | 109.5° |
| H222 | C22 | H223 | 109.5° | 109.4° |
| C24 | C23 | C28 | 119.3° | 120.0° |
| C23 | C24 | C25 | 120.4° | 120.0° |
| C23 | C24 | H24 | 119.8° | 120.0° |
| C23 | C28 | C27 | 120.3° | 120.0° |
| C23 | C28 | H28 | 119.8° | 120.0° |
| C25 | C24 | H24 | 119.8° | 120.0° |
| C24 | C25 | C26 | 120.0° | 120.0° |
| C24 | C25 | H25 | 120.0° | 120.0° |
| C26 | C25 | H25 | 120.0° | 120.0° |
| C25 | C26 | C27 | 119.8° | 120.0° |
| C25 | C26 | H26 | 120.2° | 120.0° |
| C27 | C26 | H26 | 120.1° | 120.0° |
| C26 | C27 | C28 | 120.2° | 120.0° |
| C26 | C27 | H27 | 119.9° | 120.0° |
| C28 | C27 | H27 | 119.9° | 120.1° |
| C27 | C28 | H28 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | H11 | H12 | 120.0° | 120.0° |
| C2 | C1 | H11 | H13 | 120.0° | 120.1° |
| C2 | C1 | H12 | H13 | 120.0° | 120.0° |
| C1 | C2 | C3 | H21A | 120.2° | 120.0° |
| C1 | C2 | C3 | H22 | 120.0° | 119.9° |
| C1 | C2 | H21A | H22 | 120.1° | 119.9° |
| C1 | C2 | C3 | C4 | 124.8° | 180.0° |
| C1 | C2 | C3 | H31 | 4.5° | 60.0° |
| C1 | C2 | C3 | H32 | 115.2° | 60.0° |
| H11 | C1 | H12 | H13 | 120.0° | 120.0° |
| H11 | C1 | C2 | C3 | 131.1° | 180.0° |
| H11 | C1 | C2 | H21A | 108.6° | 60.0° |
| H11 | C1 | C2 | H22 | 11.1° | 60.0° |
| H12 | C1 | C2 | C3 | 108.8° | 60.0° |
| H12 | C1 | C2 | H21A | 11.4° | 60.0° |
| H12 | C1 | C2 | H22 | 131.2° | 180.0° |
| H13 | C1 | C2 | C3 | 11.2° | 60.0° |
| H13 | C1 | C2 | H21A | 131.4° | 180.0° |
| H13 | C1 | C2 | H22 | 108.9° | 60.0° |
| C3 | C2 | H21A | H22 | 120.2° | 120.1° |
| C2 | C3 | C4 | H31 | 120.3° | 120.0° |
| C2 | C3 | C4 | H32 | 120.0° | 120.0° |
| C2 | C3 | H31 | H32 | 120.2° | 120.0° |
| C2 | C3 | C4 | C5 | 163.8° | 180.0° |
| C2 | C3 | C4 | H41 | 44.3° | 60.0° |
| C2 | C3 | C4 | H42 | 76.2° | 60.0° |
| H21A | C2 | C3 | C4 | 115.0° | 60.0° |
| H21A | C2 | C3 | H31 | 124.7° | 179.9° |
| H21A | C2 | C3 | H32 | 5.0° | 60.0° |
| H22 | C2 | C3 | C4 | 4.8° | 60.1° |
| H22 | C2 | C3 | H31 | 115.5° | 60.0° |
| H22 | C2 | C3 | H32 | 124.8° | 179.9° |
| C4 | C3 | H31 | H32 | 120.2° | 120.0° |
| C3 | C4 | C5 | H41 | 119.5° | 120.0° |
| C3 | C4 | C5 | H42 | 120.0° | 119.9° |
| C3 | C4 | H41 | H42 | 119.6° | 120.0° |
| C3 | C4 | C5 | N1 | 76.3° | 65.0° |
| C3 | C4 | C5 | C19 | 171.6° | 175.0° |
| C3 | C4 | C5 | H5 | 48.0° | 55.0° |
| H31 | C3 | C4 | C5 | 75.9° | 60.0° |
| H31 | C3 | C4 | H41 | 164.6° | 180.0° |
| H31 | C3 | C4 | H42 | 44.1° | 60.0° |
| H32 | C3 | C4 | C5 | 43.8° | 60.0° |
| H32 | C3 | C4 | H41 | 75.7° | 60.0° |
| H32 | C3 | C4 | H42 | 163.8° | 180.0° |
| C5 | C4 | H41 | H42 | 119.7° | 120.0° |
| C4 | C5 | N1 | C19 | 115.3° | 120.0° |
| C4 | C5 | N1 | H5 | 121.6° | 120.0° |
| C4 | C5 | C19 | H5 | 121.8° | 120.0° |
| C4 | C5 | N1 | C6 | 121.4° | 85.0° |
| C4 | C5 | N1 | HN1 | 58.6° | 95.0° |
| C4 | C5 | C19 | O5 | 79.0° | 55.0° |
| C4 | C5 | C19 | C20 | 51.1° | 65.0° |
| C4 | C5 | C19 | H19 | 168.3° | 175.0° |
| H41 | C4 | C5 | N1 | 43.2° | 175.0° |
| H41 | C4 | C5 | C19 | 68.9° | 55.0° |
| H41 | C4 | C5 | H5 | 167.5° | 65.0° |
| H42 | C4 | C5 | N1 | 163.7° | 55.0° |
| H42 | C4 | C5 | C19 | 51.6° | 65.0° |
| H42 | C4 | C5 | H5 | 72.0° | 175.0° |
| N1 | C5 | C19 | H5 | 124.0° | 119.9° |
| C5 | N1 | C6 | HN1 | 180.0° | 180.0° |
| C5 | N1 | C6 | O1 | 3.8° | 0.0° |
| C5 | N1 | C6 | O2 | 175.8° | 180.0° |
| N1 | C5 | C19 | O5 | 35.2° | 65.0° |
| N1 | C5 | C19 | C20 | 165.3° | 175.0° |
| N1 | C5 | C19 | H19 | 77.5° | 55.0° |
| C19 | C5 | N1 | C6 | 123.3° | 155.0° |
| C19 | C5 | N1 | HN1 | 56.8° | 25.0° |
| C5 | C19 | O5 | C20 | 131.0° | 119.9° |
| C5 | C19 | O5 | H19 | 111.4° | 120.0° |
| C5 | C19 | C20 | H19 | 112.4° | 120.1° |
| C5 | C19 | O5 | HO5 | 33.3° | 60.0° |
| C5 | C19 | C20 | O6 | 61.2° | 115.0° |
| C5 | C19 | C20 | N5 | 118.0° | 65.1° |
| H5 | C5 | N1 | C6 | 0.2° | 35.0° |
| H5 | C5 | N1 | HN1 | 179.8° | 145.0° |
| H5 | C5 | C19 | O5 | 159.2° | 175.0° |
| H5 | C5 | C19 | C20 | 70.7° | 55.1° |
| H5 | C5 | C19 | H19 | 46.5° | 65.0° |
| N1 | C6 | O1 | O2 | 179.5° | 180.0° |
| N1 | C6 | O2 | C7 | 178.1° | 180.0° |
| HN1 | N1 | C6 | O1 | 176.2° | 180.0° |
| HN1 | N1 | C6 | O2 | 4.2° | 0.0° |
| O1 | C6 | O2 | C7 | 2.4° | 0.0° |
| C6 | O2 | C7 | C8 | 87.9° | 93.9° |
| C6 | O2 | C7 | C10 | 157.9° | 152.5° |
| C6 | O2 | C7 | H7 | 35.2° | 29.3° |
| O2 | C7 | C8 | C10 | 115.8° | 118.4° |
| O2 | C7 | C8 | H7 | 121.6° | 123.1° |
| O2 | C7 | C10 | H7 | 121.7° | 123.1° |
| O2 | C7 | C8 | N2 | 93.6° | 140.5° |
| O2 | C7 | C8 | H81 | 144.4° | 21.1° |
| O2 | C7 | C8 | H82 | 26.4° | 100.0° |
| O2 | C7 | C10 | C9 | 93.4° | 153.7° |
| O2 | C7 | C10 | C11 | 147.9° | 88.1° |
| O2 | C7 | C10 | C12 | 27.0° | 35.7° |
| C8 | C7 | C10 | H7 | 123.0° | 118.5° |
| C7 | C8 | N2 | H81 | 121.9° | 119.4° |
| C7 | C8 | N2 | H82 | 120.0° | 119.4° |
| C7 | C8 | H81 | H82 | 121.4° | 121.1° |
| C7 | C8 | N2 | C9 | 14.9° | 1.1° |
| C7 | C8 | N2 | C13 | 171.8° | 178.9° |
| C8 | C7 | C10 | C9 | 21.8° | 35.3° |
| C8 | C7 | C10 | C11 | 96.8° | 153.4° |
| C8 | C7 | C10 | C12 | 142.3° | 82.7° |
| C10 | C7 | C8 | N2 | 22.2° | 22.1° |
| C10 | C7 | C8 | H81 | 99.8° | 97.3° |
| C10 | C7 | C8 | H82 | 142.2° | 141.6° |
| C7 | C10 | C9 | N2 | 12.9° | 36.8° |
| C7 | C10 | C9 | C11 | 119.6° | 118.3° |
| C7 | C10 | C9 | C12 | 120.5° | 117.9° |
| C7 | C10 | C9 | H91 | 134.6° | 155.7° |
| C7 | C10 | C9 | H92 | 107.1° | 82.0° |
| C7 | C10 | C11 | C12 | 122.3° | 123.9° |
| C7 | C10 | C11 | H111 | 85.6° | 53.7° |
| C7 | C10 | C11 | H112 | 154.4° | 66.3° |
| C7 | C10 | C11 | H113 | 34.4° | 173.7° |
| C7 | C10 | C12 | H121 | 18.7° | 173.5° |
| C7 | C10 | C12 | H122 | 138.8° | 66.5° |
| C7 | C10 | C12 | H123 | 101.2° | 53.4° |
| H7 | C7 | C8 | N2 | 144.7° | 96.4° |
| H7 | C7 | C8 | H81 | 22.8° | 144.2° |
| H7 | C7 | C8 | H82 | 95.3° | 23.1° |
| H7 | C7 | C10 | C9 | 144.8° | 83.2° |
| H7 | C7 | C10 | C11 | 26.2° | 34.9° |
| H7 | C7 | C10 | C12 | 94.7° | 158.8° |
| N2 | C8 | H81 | H82 | 121.4° | 121.1° |
| C8 | N2 | C9 | C13 | 173.0° | 180.0° |
| C8 | N2 | C9 | C10 | 1.2° | 24.0° |
| C8 | N2 | C9 | H91 | 120.4° | 143.0° |
| C8 | N2 | C9 | H92 | 121.2° | 94.7° |
| C8 | N2 | C13 | O3 | 4.8° | 180.0° |
| C8 | N2 | C13 | N3 | 175.3° | 0.0° |
| H81 | C8 | N2 | C9 | 107.1° | 120.5° |
| H81 | C8 | N2 | C13 | 66.2° | 59.5° |
| H82 | C8 | N2 | C9 | 134.9° | 118.4° |
| H82 | C8 | N2 | C13 | 51.8° | 61.6° |
| N2 | C9 | C10 | H91 | 121.6° | 118.9° |
| N2 | C9 | C10 | H92 | 120.0° | 118.9° |
| N2 | C9 | H91 | H92 | 121.2° | 122.3° |
| N2 | C9 | C10 | C11 | 106.7° | 155.1° |
| N2 | C9 | C10 | C12 | 133.5° | 81.1° |
| C9 | N2 | C13 | O3 | 167.8° | 0.0° |
| C9 | N2 | C13 | N3 | 12.2° | 180.0° |
| C13 | N2 | C9 | C10 | 174.3° | 156.0° |
| C13 | N2 | C9 | H91 | 52.6° | 37.0° |
| C13 | N2 | C9 | H92 | 65.7° | 85.3° |
| N2 | C13 | O3 | N3 | 180.0° | 180.0° |
| N2 | C13 | N3 | C14 | 150.6° | 174.7° |
| N2 | C13 | N3 | HN3 | 29.4° | 5.3° |
| C10 | C9 | H91 | H92 | 121.2° | 122.2° |
| C9 | C10 | C11 | C12 | 121.3° | 123.9° |
| C9 | C10 | C11 | H111 | 30.8° | 58.5° |
| C9 | C10 | C11 | H112 | 89.2° | 178.5° |
| C9 | C10 | C11 | H113 | 150.8° | 61.4° |
| C9 | C10 | C12 | H121 | 136.2° | 61.4° |
| C9 | C10 | C12 | H122 | 103.8° | 178.5° |
| C9 | C10 | C12 | H123 | 16.2° | 58.6° |
| H91 | C9 | C10 | C11 | 15.0° | 86.0° |
| H91 | C9 | C10 | C12 | 104.9° | 37.8° |
| H92 | C9 | C10 | C11 | 133.3° | 36.3° |
| H92 | C9 | C10 | C12 | 13.5° | 160.1° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H113 | 120.0° | 120.0° |
| C10 | C11 | H112 | H113 | 120.1° | 120.0° |
| C11 | C10 | C12 | H121 | 103.5° | 62.4° |
| C11 | C10 | C12 | H122 | 16.5° | 57.6° |
| C11 | C10 | C12 | H123 | 136.5° | 177.5° |
| C12 | C10 | C11 | H111 | 152.1° | 177.6° |
| C12 | C10 | C11 | H112 | 32.1° | 57.6° |
| C12 | C10 | C11 | H113 | 87.9° | 62.5° |
| C10 | C12 | H121 | H122 | 120.0° | 120.0° |
| C10 | C12 | H121 | H123 | 120.0° | 120.0° |
| C10 | C12 | H122 | H123 | 120.1° | 120.0° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
| H121 | C12 | H122 | H123 | 120.0° | 120.0° |
| O3 | C13 | N3 | C14 | 29.5° | 5.3° |
| O3 | C13 | N3 | HN3 | 150.6° | 174.7° |
| C13 | N3 | C14 | HN3 | 180.0° | 180.0° |
| C13 | N3 | C14 | C15 | 68.9° | 92.2° |
| C13 | N3 | C14 | C17 | 111.4° | 87.6° |
| N3 | C14 | C15 | C17 | 179.8° | 179.8° |
| N3 | C14 | C15 | C16 | 0.1° | 0.2° |
| N3 | C14 | C15 | N4 | 179.9° | 179.9° |
| N3 | C14 | C17 | O4 | 179.9° | 180.0° |
| N3 | C14 | C17 | C18 | 0.1° | 0.1° |
| HN3 | N3 | C14 | C15 | 111.1° | 87.8° |
| HN3 | N3 | C14 | C17 | 68.7° | 92.5° |
| C14 | C15 | C16 | N4 | 179.8° | 179.6° |
| C14 | C15 | C16 | H161 | 87.3° | 96.5° |
| C14 | C15 | C16 | H162 | 32.7° | 23.5° |
| C14 | C15 | C16 | H163 | 152.7° | 143.5° |
| C14 | C15 | N4 | O4 | 0.0° | 0.4° |
| C15 | C14 | C17 | O4 | 0.1° | 0.2° |
| C15 | C14 | C17 | C18 | 179.9° | 179.7° |
| C17 | C14 | C15 | C16 | 179.7° | 180.0° |
| C17 | C14 | C15 | N4 | 0.1° | 0.4° |
| C14 | C17 | O4 | N4 | 0.1° | 0.1° |
| C14 | C17 | O4 | C18 | 180.0° | 179.9° |
| C14 | C17 | C18 | H181 | 154.3° | 89.9° |
| C14 | C17 | C18 | H182 | 85.7° | 150.1° |
| C14 | C17 | C18 | H183 | 34.3° | 30.1° |
| C15 | C16 | H161 | H162 | 120.0° | 120.0° |
| C15 | C16 | H161 | H163 | 120.0° | 120.0° |
| C15 | C16 | H162 | H163 | 120.0° | 120.0° |
| C16 | C15 | N4 | O4 | 179.8° | 179.9° |
| N4 | C15 | C16 | H161 | 93.0° | 83.9° |
| N4 | C15 | C16 | H162 | 147.1° | 156.1° |
| N4 | C15 | C16 | H163 | 27.0° | 36.1° |
| C15 | N4 | O4 | C17 | 0.0° | 0.3° |
| H161 | C16 | H162 | H163 | 120.0° | 120.0° |
| N4 | O4 | C17 | C18 | 179.9° | 180.0° |
| O4 | C17 | C18 | H181 | 25.7° | 89.9° |
| O4 | C17 | C18 | H182 | 94.3° | 30.1° |
| O4 | C17 | C18 | H183 | 145.7° | 150.1° |
| C17 | C18 | H181 | H182 | 120.0° | 120.1° |
| C17 | C18 | H181 | H183 | 120.0° | 120.0° |
| C17 | C18 | H182 | H183 | 120.0° | 120.0° |
| H181 | C18 | H182 | H183 | 120.0° | 119.9° |
| O5 | C19 | C20 | H19 | 114.3° | 120.0° |
| O5 | C19 | C20 | O6 | 165.5° | 4.9° |
| O5 | C19 | C20 | N5 | 15.3° | 175.0° |
| C20 | C19 | O5 | HO5 | 97.7° | 60.0° |
| C19 | C20 | O6 | N5 | 179.0° | 179.9° |
| C19 | C20 | N5 | C21 | 178.1° | 180.0° |
| C19 | C20 | N5 | HN5 | 1.9° | 0.1° |
| H19 | C19 | O5 | HO5 | 144.6° | 180.0° |
| H19 | C19 | C20 | O6 | 51.3° | 124.9° |
| H19 | C19 | C20 | N5 | 129.6° | 55.0° |
| O6 | C20 | N5 | C21 | 1.0° | 0.1° |
| O6 | C20 | N5 | HN5 | 179.0° | 180.0° |
| C20 | N5 | C21 | HN5 | 180.0° | 179.9° |
| C20 | N5 | C21 | C22 | 170.5° | 85.0° |
| C20 | N5 | C21 | C23 | 67.5° | 155.0° |
| C20 | N5 | C21 | H21 | 50.6° | 35.0° |
| N5 | C21 | C22 | C23 | 124.6° | 120.0° |
| N5 | C21 | C22 | H21 | 117.0° | 120.0° |
| N5 | C21 | C23 | H21 | 116.9° | 120.0° |
| N5 | C21 | C22 | H221 | 154.1° | 60.0° |
| N5 | C21 | C22 | H222 | 34.1° | 180.0° |
| N5 | C21 | C22 | H223 | 86.0° | 60.0° |
| N5 | C21 | C23 | C24 | 141.5° | 39.8° |
| N5 | C21 | C23 | C28 | 38.6° | 140.0° |
| HN5 | N5 | C21 | C22 | 9.5° | 95.0° |
| HN5 | N5 | C21 | C23 | 112.5° | 25.0° |
| HN5 | N5 | C21 | H21 | 129.3° | 145.0° |
| C22 | C21 | C23 | H21 | 120.0° | 120.0° |
| C21 | C22 | H221 | H222 | 120.0° | 120.0° |
| C21 | C22 | H221 | H223 | 120.0° | 120.0° |
| C21 | C22 | H222 | H223 | 120.0° | 120.0° |
| C22 | C21 | C23 | C24 | 95.3° | 80.2° |
| C22 | C21 | C23 | C28 | 84.6° | 100.0° |
| C23 | C21 | C22 | H221 | 81.4° | 180.0° |
| C23 | C21 | C22 | H222 | 158.6° | 60.0° |
| C23 | C21 | C22 | H223 | 38.6° | 59.9° |
| C21 | C23 | C24 | C28 | 179.9° | 179.8° |
| C21 | C23 | C24 | C25 | 179.9° | 179.7° |
| C21 | C23 | C24 | H24 | 0.0° | 0.2° |
| C21 | C23 | C28 | C27 | 179.9° | 180.0° |
| C21 | C23 | C28 | H28 | 0.1° | 0.0° |
| H21 | C21 | C22 | H221 | 37.0° | 60.0° |
| H21 | C21 | C22 | H222 | 83.0° | 60.0° |
| H21 | C21 | C22 | H223 | 157.0° | 180.0° |
| H21 | C21 | C23 | C24 | 24.6° | 159.8° |
| H21 | C21 | C23 | C28 | 155.4° | 20.0° |
| H221 | C22 | H222 | H223 | 120.0° | 120.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.5° |
| C23 | C24 | C25 | C26 | 0.2° | 0.5° |
| C23 | C24 | C25 | H25 | 179.8° | 179.8° |
| C24 | C23 | C28 | C27 | 0.2° | 0.2° |
| C24 | C23 | C28 | H28 | 179.8° | 179.8° |
| C28 | C23 | C24 | C25 | 0.0° | 0.5° |
| C28 | C23 | C24 | H24 | 180.0° | 180.0° |
| C23 | C28 | C27 | C26 | 0.1° | 0.0° |
| C23 | C28 | C27 | H28 | 180.0° | 180.0° |
| C23 | C28 | C27 | H27 | 179.9° | 180.0° |
| C24 | C25 | C26 | H25 | 180.0° | 179.8° |
| C24 | C25 | C26 | C27 | 0.2° | 0.2° |
| C24 | C25 | C26 | H26 | 179.8° | 179.8° |
| H24 | C24 | C25 | C26 | 179.8° | 180.0° |
| H24 | C24 | C25 | H25 | 0.2° | 0.2° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.1° | 0.0° |
| C25 | C26 | C27 | H27 | 179.9° | 180.0° |
| H25 | C25 | C26 | C27 | 179.8° | 180.0° |
| H25 | C25 | C26 | H26 | 0.2° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | H28 | 179.9° | 180.0° |
| H26 | C26 | C27 | C28 | 179.9° | 180.0° |
| H26 | C26 | C27 | H27 | 0.1° | 0.0° |
| H27 | C27 | C28 | H28 | 0.1° | 0.0° |
