CS5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C6 | sing | 1.40Å | 1.43Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.43Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.38Å | 1.43Å | Aromatic |
| C2 | C33 | sing | 1.51Å | 1.47Å | |
| C3 | C4 | doub | 1.40Å | 1.43Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.39Å | 1.43Å | Aromatic |
| C4 | C14 | sing | 1.48Å | 1.46Å | |
| C5 | C6 | doub | 1.39Å | 1.43Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.48Å | 1.48Å | |
| C7 | N1 | sing | 1.35Å | 1.37Å | |
| C7 | O1 | doub | 1.22Å | 1.23Å | |
| N1 | C8 | sing | 1.46Å | 1.46Å | |
| N1 | C11 | sing | 1.47Å | 1.46Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C14 | N2 | sing | 1.35Å | 1.36Å | |
| C14 | O2 | doub | 1.22Å | 1.23Å | |
| N2 | C15 | sing | 1.46Å | 1.47Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C15 | C17 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | O3 | sing | 1.43Å | 1.43Å | |
| C16 | C18 | sing | 1.53Å | 1.55Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | C21 | sing | 1.51Å | 1.51Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C18 | N3 | sing | 1.47Å | 1.48Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| N3 | C19 | sing | 1.47Å | 1.48Å | |
| N3 | HN3 | sing | 1.01Å | 1.00Å | |
| C19 | C20 | sing | 1.51Å | 1.52Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | C31 | doub | 1.38Å | 1.43Å | Aromatic |
| C20 | C27 | sing | 1.38Å | 1.43Å | Aromatic |
| C21 | C26 | doub | 1.38Å | 1.42Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.42Å | Aromatic |
| C22 | C23 | doub | 1.39Å | 1.43Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.38Å | 1.42Å | Aromatic |
| C23 | F2 | sing | 1.35Å | 1.34Å | |
| C24 | C25 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | F1 | sing | 1.35Å | 1.34Å | |
| C25 | C26 | sing | 1.38Å | 1.42Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | doub | 1.38Å | 1.43Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | C29 | sing | 1.38Å | 1.43Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C30 | doub | 1.39Å | 1.43Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | O4 | sing | 1.36Å | 1.39Å | |
| C30 | C31 | sing | 1.39Å | 1.43Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| O4 | C32 | sing | 1.43Å | 1.42Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C6 | C1 | C2 | 120.8° | 120.2° |
| C6 | C1 | H1 | 119.6° | 119.9° |
| C1 | C6 | C5 | 119.1° | 119.8° |
| C1 | C6 | C7 | 120.2° | 120.1° |
| C2 | C1 | H1 | 119.6° | 119.9° |
| C1 | C2 | C3 | 120.1° | 120.3° |
| C1 | C2 | C33 | 119.8° | 119.9° |
| C3 | C2 | C33 | 120.1° | 119.8° |
| C2 | C3 | C4 | 119.6° | 120.2° |
| C2 | C3 | H3 | 120.2° | 119.9° |
| C2 | C33 | H331 | 109.5° | 109.5° |
| C2 | C33 | H332 | 109.4° | 109.5° |
| C2 | C33 | H333 | 109.4° | 109.5° |
| C4 | C3 | H3 | 120.2° | 119.9° |
| C3 | C4 | C5 | 120.2° | 119.9° |
| C3 | C4 | C14 | 120.2° | 120.1° |
| C5 | C4 | C14 | 119.6° | 120.1° |
| C4 | C5 | C6 | 120.3° | 119.7° |
| C4 | C5 | H5 | 119.9° | 120.2° |
| C4 | C14 | N2 | 115.1° | 120.0° |
| C4 | C14 | O2 | 123.1° | 120.0° |
| C6 | C5 | H5 | 119.8° | 120.1° |
| C5 | C6 | C7 | 120.7° | 120.1° |
| C6 | C7 | N1 | 117.8° | 120.1° |
| C6 | C7 | O1 | 121.7° | 120.0° |
| N1 | C7 | O1 | 120.5° | 120.0° |
| C7 | N1 | C8 | 124.6° | 120.1° |
| C7 | N1 | C11 | 117.1° | 120.0° |
| C8 | N1 | C11 | 118.3° | 120.0° |
| N1 | C8 | C9 | 108.7° | 109.5° |
| N1 | C8 | H81 | 109.7° | 109.5° |
| N1 | C8 | H82 | 109.9° | 109.4° |
| N1 | C11 | C12 | 112.0° | 109.5° |
| N1 | C11 | H111 | 108.6° | 109.4° |
| N1 | C11 | H112 | 108.0° | 109.5° |
| C9 | C8 | H81 | 109.7° | 109.5° |
| C9 | C8 | H82 | 109.9° | 109.5° |
| C8 | C9 | C10 | 111.2° | 109.4° |
| C8 | C9 | H91 | 108.9° | 109.5° |
| C8 | C9 | H92 | 108.6° | 109.5° |
| H81 | C8 | H82 | 108.8° | 109.5° |
| C10 | C9 | H91 | 108.9° | 109.5° |
| C10 | C9 | H92 | 108.5° | 109.4° |
| C9 | C10 | H101 | 109.5° | 109.5° |
| C9 | C10 | H102 | 109.5° | 109.4° |
| C9 | C10 | H103 | 109.4° | 109.4° |
| H91 | C9 | H92 | 110.8° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H101 | C10 | H103 | 109.4° | 109.5° |
| H102 | C10 | H103 | 109.5° | 109.5° |
| C12 | C11 | H111 | 108.6° | 109.5° |
| C12 | C11 | H112 | 108.0° | 109.5° |
| C11 | C12 | C13 | 113.7° | 109.5° |
| C11 | C12 | H121 | 108.1° | 109.5° |
| C11 | C12 | H122 | 107.2° | 109.5° |
| H111 | C11 | H112 | 111.5° | 109.5° |
| C13 | C12 | H121 | 108.1° | 109.5° |
| C13 | C12 | H122 | 107.1° | 109.5° |
| C12 | C13 | H131 | 109.5° | 109.5° |
| C12 | C13 | H132 | 109.4° | 109.5° |
| C12 | C13 | H133 | 109.5° | 109.5° |
| H121 | C12 | H122 | 112.9° | 109.4° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.4° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| N2 | C14 | O2 | 121.8° | 120.0° |
| C14 | N2 | C15 | 116.0° | 120.0° |
| C14 | N2 | HN2 | 122.0° | 120.0° |
| C15 | N2 | HN2 | 122.0° | 119.9° |
| N2 | C15 | C17 | 110.2° | 109.5° |
| N2 | C15 | C16 | 112.5° | 109.5° |
| N2 | C15 | H15 | 107.6° | 109.5° |
| C17 | C15 | C16 | 111.3° | 109.5° |
| C17 | C15 | H15 | 108.8° | 109.4° |
| C15 | C17 | C21 | 109.5° | 109.5° |
| C15 | C17 | H171 | 109.5° | 109.5° |
| C15 | C17 | H172 | 109.4° | 109.5° |
| C16 | C15 | H15 | 106.3° | 109.5° |
| C15 | C16 | O3 | 107.9° | 109.5° |
| C15 | C16 | C18 | 111.1° | 109.5° |
| C15 | C16 | H16 | 109.4° | 109.5° |
| O3 | C16 | C18 | 109.3° | 109.5° |
| O3 | C16 | H16 | 111.2° | 109.4° |
| C16 | O3 | HO3 | 109.5° | 114.0° |
| C18 | C16 | H16 | 108.0° | 109.4° |
| C16 | C18 | N3 | 109.5° | 109.5° |
| C16 | C18 | H181 | 109.5° | 109.5° |
| C16 | C18 | H182 | 109.5° | 109.5° |
| C21 | C17 | H171 | 109.5° | 109.5° |
| C21 | C17 | H172 | 109.4° | 109.4° |
| C17 | C21 | C26 | 120.0° | 119.9° |
| C17 | C21 | C22 | 120.0° | 120.0° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| N3 | C18 | H181 | 109.5° | 109.5° |
| N3 | C18 | H182 | 109.5° | 109.5° |
| C18 | N3 | C19 | 112.6° | 111.0° |
| C18 | N3 | HN3 | 108.5° | 111.0° |
| H181 | C18 | H182 | 109.4° | 109.5° |
| C19 | N3 | HN3 | 108.4° | 111.0° |
| N3 | C19 | C20 | 113.1° | 109.5° |
| N3 | C19 | H191 | 108.3° | 109.5° |
| N3 | C19 | H192 | 107.4° | 109.5° |
| C20 | C19 | H191 | 108.3° | 109.5° |
| C20 | C19 | H192 | 107.5° | 109.5° |
| C19 | C20 | C31 | 120.3° | 120.0° |
| C19 | C20 | C27 | 119.9° | 120.0° |
| H191 | C19 | H192 | 112.4° | 109.4° |
| C31 | C20 | C27 | 119.8° | 120.0° |
| C20 | C31 | C30 | 120.1° | 120.0° |
| C20 | C31 | H31 | 119.9° | 120.0° |
| C20 | C27 | C28 | 120.1° | 120.1° |
| C20 | C27 | H27 | 120.0° | 119.9° |
| C26 | C21 | C22 | 120.0° | 120.1° |
| C21 | C26 | C25 | 120.0° | 120.0° |
| C21 | C26 | H26 | 120.0° | 120.0° |
| C21 | C22 | C23 | 119.8° | 120.0° |
| C21 | C22 | H22 | 120.1° | 120.0° |
| C23 | C22 | H22 | 120.1° | 120.0° |
| C22 | C23 | C24 | 120.3° | 120.0° |
| C22 | C23 | F2 | 120.0° | 120.0° |
| C24 | C23 | F2 | 119.8° | 120.0° |
| C23 | C24 | C25 | 119.9° | 119.9° |
| C23 | C24 | H24 | 120.1° | 120.0° |
| C25 | C24 | H24 | 120.1° | 120.0° |
| C24 | C25 | F1 | 119.5° | 120.0° |
| C24 | C25 | C26 | 120.0° | 120.0° |
| F1 | C25 | C26 | 120.5° | 120.0° |
| C25 | C26 | H26 | 120.0° | 120.0° |
| C28 | C27 | H27 | 120.0° | 120.0° |
| C27 | C28 | C29 | 120.0° | 120.1° |
| C27 | C28 | H28 | 120.0° | 120.0° |
| C29 | C28 | H28 | 120.0° | 120.0° |
| C28 | C29 | C30 | 120.1° | 119.9° |
| C28 | C29 | H29 | 120.0° | 120.0° |
| C30 | C29 | H29 | 120.0° | 120.1° |
| C29 | C30 | O4 | 119.1° | 120.0° |
| C29 | C30 | C31 | 119.8° | 119.9° |
| O4 | C30 | C31 | 121.1° | 120.1° |
| C30 | O4 | C32 | 112.3° | 117.0° |
| C30 | C31 | H31 | 119.9° | 120.1° |
| O4 | C32 | H321 | 109.5° | 109.4° |
| O4 | C32 | H322 | 109.5° | 109.5° |
| O4 | C32 | H323 | 109.4° | 109.5° |
| H321 | C32 | H322 | 109.4° | 109.5° |
| H321 | C32 | H323 | 109.5° | 109.4° |
| H322 | C32 | H323 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.4° |
| H331 | C33 | H333 | 109.5° | 109.5° |
| H332 | C33 | H333 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C6 | C1 | C2 | C3 | 0.2° | 0.0° |
| C6 | C1 | C2 | C33 | 179.9° | 180.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.0° |
| C1 | C6 | C5 | C7 | 179.5° | 179.9° |
| C1 | C6 | C5 | H5 | 180.0° | 180.0° |
| C1 | C6 | C7 | N1 | 119.1° | 45.6° |
| C1 | C6 | C7 | O1 | 61.5° | 134.4° |
| C1 | C2 | C3 | C33 | 179.7° | 179.9° |
| C1 | C2 | C3 | C4 | 0.4° | 0.0° |
| C1 | C2 | C3 | H3 | 179.6° | 180.0° |
| C2 | C1 | C6 | C5 | 0.0° | 0.0° |
| C2 | C1 | C6 | C7 | 179.5° | 180.0° |
| C1 | C2 | C33 | H331 | 97.8° | 90.0° |
| C1 | C2 | C33 | H332 | 22.2° | 150.0° |
| C1 | C2 | C33 | H333 | 142.2° | 30.0° |
| H1 | C1 | C2 | C3 | 179.8° | 179.7° |
| H1 | C1 | C2 | C33 | 0.1° | 0.3° |
| H1 | C1 | C6 | C5 | 180.0° | 179.7° |
| H1 | C1 | C6 | C7 | 0.5° | 0.2° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.4° | 0.0° |
| C2 | C3 | C4 | C14 | 179.8° | 179.9° |
| C3 | C2 | C33 | H331 | 82.5° | 90.0° |
| C3 | C2 | C33 | H332 | 157.5° | 30.0° |
| C3 | C2 | C33 | H333 | 37.5° | 150.0° |
| C33 | C2 | C3 | C4 | 179.8° | 180.0° |
| C33 | C2 | C3 | H3 | 0.1° | 0.1° |
| C2 | C33 | H331 | H332 | 120.0° | 120.0° |
| C2 | C33 | H331 | H333 | 120.0° | 120.0° |
| C2 | C33 | H332 | H333 | 120.0° | 120.0° |
| C3 | C4 | C5 | C14 | 179.3° | 179.9° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| C3 | C4 | C14 | N2 | 154.5° | 0.1° |
| C3 | C4 | C14 | O2 | 25.5° | 180.0° |
| H3 | C3 | C4 | C5 | 179.6° | 179.9° |
| H3 | C3 | C4 | C14 | 0.2° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 179.5° | 179.9° |
| C5 | C4 | C14 | N2 | 26.2° | 180.0° |
| C5 | C4 | C14 | O2 | 153.8° | 0.1° |
| C14 | C4 | C5 | C6 | 179.5° | 179.9° |
| C14 | C4 | C5 | H5 | 0.5° | 0.1° |
| C4 | C14 | N2 | O2 | 180.0° | 179.9° |
| C4 | C14 | N2 | C15 | 179.5° | 179.9° |
| C4 | C14 | N2 | HN2 | 0.5° | 0.0° |
| C5 | C6 | C7 | N1 | 61.5° | 134.3° |
| C5 | C6 | C7 | O1 | 118.0° | 45.7° |
| H5 | C5 | C6 | C7 | 0.5° | 0.1° |
| C6 | C7 | N1 | O1 | 179.5° | 180.0° |
| C6 | C7 | N1 | C8 | 1.0° | 174.1° |
| C6 | C7 | N1 | C11 | 179.8° | 5.9° |
| C7 | N1 | C8 | C11 | 179.2° | 180.0° |
| C7 | N1 | C8 | C9 | 127.3° | 90.0° |
| C7 | N1 | C8 | H81 | 112.7° | 150.0° |
| C7 | N1 | C8 | H82 | 6.9° | 30.0° |
| C7 | N1 | C11 | C12 | 103.4° | 98.1° |
| C7 | N1 | C11 | H111 | 136.6° | 141.9° |
| C7 | N1 | C11 | H112 | 15.5° | 22.0° |
| O1 | C7 | N1 | C8 | 179.5° | 5.9° |
| O1 | C7 | N1 | C11 | 0.3° | 174.1° |
| N1 | C8 | C9 | H81 | 120.0° | 120.0° |
| N1 | C8 | C9 | H82 | 120.3° | 119.9° |
| N1 | C8 | H81 | H82 | 120.3° | 120.0° |
| N1 | C8 | C9 | C10 | 57.0° | 180.0° |
| N1 | C8 | C9 | H91 | 62.9° | 60.0° |
| N1 | C8 | C9 | H92 | 176.3° | 60.1° |
| C8 | N1 | C11 | C12 | 77.3° | 81.9° |
| C8 | N1 | C11 | H111 | 42.7° | 38.1° |
| C8 | N1 | C11 | H112 | 163.8° | 158.1° |
| C11 | N1 | C8 | C9 | 52.0° | 90.1° |
| C11 | N1 | C8 | H81 | 68.1° | 30.0° |
| C11 | N1 | C8 | H82 | 172.3° | 150.0° |
| N1 | C11 | C12 | H111 | 120.0° | 120.0° |
| N1 | C11 | C12 | H112 | 118.9° | 120.0° |
| N1 | C11 | H111 | H112 | 119.0° | 119.9° |
| N1 | C11 | C12 | C13 | 32.1° | 174.6° |
| N1 | C11 | C12 | H121 | 87.9° | 54.5° |
| N1 | C11 | C12 | H122 | 150.3° | 65.4° |
| C9 | C8 | H81 | H82 | 120.3° | 120.0° |
| C8 | C9 | C10 | H91 | 120.0° | 120.0° |
| C8 | C9 | C10 | H92 | 119.3° | 120.0° |
| C8 | C9 | H91 | H92 | 119.3° | 120.0° |
| C8 | C9 | C10 | H101 | 18.4° | 60.0° |
| C8 | C9 | C10 | H102 | 138.4° | 60.0° |
| C8 | C9 | C10 | H103 | 101.6° | 180.0° |
| H81 | C8 | C9 | C10 | 177.1° | 60.0° |
| H81 | C8 | C9 | H91 | 57.1° | 180.0° |
| H81 | C8 | C9 | H92 | 63.7° | 60.0° |
| H82 | C8 | C9 | C10 | 63.3° | 60.1° |
| H82 | C8 | C9 | H91 | 176.7° | 60.0° |
| H82 | C8 | C9 | H92 | 56.0° | 180.0° |
| C10 | C9 | H91 | H92 | 119.3° | 120.0° |
| C9 | C10 | H101 | H102 | 120.0° | 120.0° |
| C9 | C10 | H101 | H103 | 120.0° | 120.0° |
| C9 | C10 | H102 | H103 | 120.0° | 120.0° |
| H91 | C9 | C10 | H101 | 101.6° | 180.0° |
| H91 | C9 | C10 | H102 | 18.4° | 60.0° |
| H91 | C9 | C10 | H103 | 138.4° | 60.0° |
| H92 | C9 | C10 | H101 | 137.7° | 60.0° |
| H92 | C9 | C10 | H102 | 102.3° | 180.0° |
| H92 | C9 | C10 | H103 | 17.7° | 60.0° |
| H101 | C10 | H102 | H103 | 120.0° | 120.0° |
| C12 | C11 | H111 | H112 | 118.9° | 120.1° |
| C11 | C12 | C13 | H121 | 120.0° | 120.0° |
| C11 | C12 | C13 | H122 | 118.2° | 120.0° |
| C11 | C12 | H121 | H122 | 118.3° | 120.0° |
| C11 | C12 | C13 | H131 | 79.2° | 60.0° |
| C11 | C12 | C13 | H132 | 40.8° | 60.0° |
| C11 | C12 | C13 | H133 | 160.8° | 180.0° |
| H111 | C11 | C12 | C13 | 152.2° | 65.5° |
| H111 | C11 | C12 | H121 | 32.2° | 174.5° |
| H111 | C11 | C12 | H122 | 89.7° | 54.6° |
| H112 | C11 | C12 | C13 | 86.8° | 54.6° |
| H112 | C11 | C12 | H121 | 153.2° | 65.5° |
| H112 | C11 | C12 | H122 | 31.4° | 174.6° |
| C13 | C12 | H121 | H122 | 118.2° | 120.0° |
| C12 | C13 | H131 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H133 | 120.0° | 120.0° |
| C12 | C13 | H132 | H133 | 120.0° | 120.0° |
| H121 | C12 | C13 | H131 | 160.8° | 180.0° |
| H121 | C12 | C13 | H132 | 79.2° | 60.0° |
| H121 | C12 | C13 | H133 | 40.8° | 60.0° |
| H122 | C12 | C13 | H131 | 38.9° | 60.0° |
| H122 | C12 | C13 | H132 | 158.9° | 180.0° |
| H122 | C12 | C13 | H133 | 81.1° | 60.0° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| C14 | N2 | C15 | HN2 | 180.0° | 180.0° |
| C14 | N2 | C15 | C17 | 132.6° | 85.0° |
| C14 | N2 | C15 | C16 | 102.6° | 155.0° |
| C14 | N2 | C15 | H15 | 14.1° | 35.0° |
| O2 | C14 | N2 | C15 | 0.5° | 0.0° |
| O2 | C14 | N2 | HN2 | 179.5° | 180.0° |
| N2 | C15 | C17 | C16 | 125.4° | 120.0° |
| N2 | C15 | C17 | H15 | 117.7° | 120.0° |
| N2 | C15 | C16 | H15 | 117.5° | 120.1° |
| N2 | C15 | C16 | O3 | 172.2° | 65.0° |
| N2 | C15 | C16 | C18 | 68.0° | 175.0° |
| N2 | C15 | C16 | H16 | 51.1° | 55.0° |
| N2 | C15 | C17 | C21 | 45.6° | 65.0° |
| N2 | C15 | C17 | H171 | 74.5° | 55.0° |
| N2 | C15 | C17 | H172 | 165.5° | 175.0° |
| HN2 | N2 | C15 | C17 | 47.4° | 95.0° |
| HN2 | N2 | C15 | C16 | 77.4° | 25.0° |
| HN2 | N2 | C15 | H15 | 165.9° | 145.0° |
| C17 | C15 | C16 | H15 | 118.4° | 119.9° |
| C17 | C15 | C16 | O3 | 48.1° | 55.0° |
| C17 | C15 | C16 | C18 | 167.8° | 65.0° |
| C17 | C15 | C16 | H16 | 73.0° | 175.0° |
| C15 | C17 | C21 | H171 | 120.0° | 120.0° |
| C15 | C17 | C21 | H172 | 120.0° | 120.0° |
| C15 | C17 | H171 | H172 | 120.0° | 120.0° |
| C15 | C17 | C21 | C26 | 63.5° | 90.0° |
| C15 | C17 | C21 | C22 | 116.5° | 89.7° |
| C15 | C16 | O3 | C18 | 120.9° | 120.1° |
| C15 | C16 | O3 | H16 | 120.0° | 120.0° |
| C15 | C16 | C18 | H16 | 120.0° | 120.0° |
| C16 | C15 | C17 | C21 | 171.0° | 175.0° |
| C16 | C15 | C17 | H171 | 51.0° | 65.0° |
| C16 | C15 | C17 | H172 | 69.0° | 55.0° |
| C15 | C16 | O3 | HO3 | 153.4° | 60.0° |
| C15 | C16 | C18 | N3 | 168.2° | 175.0° |
| C15 | C16 | C18 | H181 | 71.8° | 55.0° |
| C15 | C16 | C18 | H182 | 48.1° | 65.0° |
| H15 | C15 | C16 | O3 | 70.3° | 175.0° |
| H15 | C15 | C16 | C18 | 49.5° | 55.0° |
| H15 | C15 | C16 | H16 | 168.6° | 65.1° |
| H15 | C15 | C17 | C21 | 72.1° | 55.0° |
| H15 | C15 | C17 | H171 | 167.8° | 175.0° |
| H15 | C15 | C17 | H172 | 47.8° | 65.0° |
| O3 | C16 | C18 | H16 | 121.1° | 119.9° |
| O3 | C16 | C18 | N3 | 49.2° | 65.0° |
| O3 | C16 | C18 | H181 | 169.3° | 175.0° |
| O3 | C16 | C18 | H182 | 70.8° | 55.1° |
| C18 | C16 | O3 | HO3 | 32.4° | 60.1° |
| C16 | C18 | N3 | H181 | 120.0° | 120.0° |
| C16 | C18 | N3 | H182 | 120.0° | 120.0° |
| C16 | C18 | H181 | H182 | 120.0° | 120.0° |
| C16 | C18 | N3 | C19 | 163.3° | 180.0° |
| C16 | C18 | N3 | HN3 | 43.3° | 56.1° |
| H16 | C16 | O3 | HO3 | 86.7° | 180.0° |
| H16 | C16 | C18 | N3 | 71.8° | 54.9° |
| H16 | C16 | C18 | H181 | 48.2° | 65.1° |
| H16 | C16 | C18 | H182 | 168.1° | 175.0° |
| C21 | C17 | H171 | H172 | 120.0° | 119.9° |
| C17 | C21 | C26 | C22 | 180.0° | 179.7° |
| C17 | C21 | C22 | C23 | 180.0° | 180.0° |
| C17 | C21 | C22 | H22 | 0.0° | 0.0° |
| C17 | C21 | C26 | C25 | 180.0° | 179.8° |
| C17 | C21 | C26 | H26 | 0.0° | 0.0° |
| H171 | C17 | C21 | C26 | 176.4° | 30.1° |
| H171 | C17 | C21 | C22 | 3.6° | 150.3° |
| H172 | C17 | C21 | C26 | 56.4° | 150.0° |
| H172 | C17 | C21 | C22 | 123.6° | 30.3° |
| N3 | C18 | H181 | H182 | 120.0° | 120.0° |
| C18 | N3 | C19 | HN3 | 120.0° | 123.9° |
| C18 | N3 | C19 | C20 | 63.2° | 180.0° |
| C18 | N3 | C19 | H191 | 176.8° | 60.0° |
| C18 | N3 | C19 | H192 | 55.2° | 59.9° |
| H181 | C18 | N3 | C19 | 76.7° | 60.0° |
| H181 | C18 | N3 | HN3 | 163.3° | 176.1° |
| H182 | C18 | N3 | C19 | 43.3° | 60.0° |
| H182 | C18 | N3 | HN3 | 76.7° | 64.0° |
| N3 | C19 | C20 | H191 | 120.0° | 120.0° |
| N3 | C19 | C20 | H192 | 118.4° | 120.1° |
| N3 | C19 | H191 | H192 | 118.5° | 120.0° |
| N3 | C19 | C20 | C31 | 54.0° | 90.0° |
| N3 | C19 | C20 | C27 | 126.1° | 89.8° |
| HN3 | N3 | C19 | C20 | 56.8° | 56.1° |
| HN3 | N3 | C19 | H191 | 63.2° | 176.1° |
| HN3 | N3 | C19 | H192 | 175.2° | 64.0° |
| C20 | C19 | H191 | H192 | 118.6° | 120.0° |
| C19 | C20 | C31 | C27 | 179.9° | 179.7° |
| C19 | C20 | C27 | C28 | 179.9° | 180.0° |
| C19 | C20 | C27 | H27 | 0.1° | 0.0° |
| C19 | C20 | C31 | C30 | 180.0° | 179.7° |
| C19 | C20 | C31 | H31 | 0.1° | 0.0° |
| H191 | C19 | C20 | C31 | 66.0° | 30.0° |
| H191 | C19 | C20 | C27 | 113.9° | 150.3° |
| H192 | C19 | C20 | C31 | 172.4° | 149.9° |
| H192 | C19 | C20 | C27 | 7.7° | 30.3° |
| C31 | C20 | C27 | C28 | 0.1° | 0.3° |
| C31 | C20 | C27 | H27 | 179.9° | 179.8° |
| C20 | C31 | C30 | C29 | 0.0° | 0.6° |
| C20 | C31 | C30 | O4 | 179.9° | 179.7° |
| C20 | C31 | C30 | H31 | 180.0° | 179.7° |
| C20 | C27 | C28 | H27 | 180.0° | 179.9° |
| C20 | C27 | C28 | C29 | 0.1° | 0.0° |
| C20 | C27 | C28 | H28 | 179.9° | 180.0° |
| C27 | C20 | C31 | C30 | 0.1° | 0.5° |
| C27 | C20 | C31 | H31 | 179.9° | 179.7° |
| C26 | C21 | C22 | C23 | 0.0° | 0.3° |
| C26 | C21 | C22 | H22 | 180.0° | 179.7° |
| C21 | C26 | C25 | C24 | 0.0° | 0.5° |
| C21 | C26 | C25 | F1 | 180.0° | 179.7° |
| C21 | C26 | C25 | H26 | 180.0° | 179.7° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.0° | 0.0° |
| C21 | C22 | C23 | F2 | 180.0° | 179.9° |
| C22 | C21 | C26 | C25 | 0.0° | 0.6° |
| C22 | C21 | C26 | H26 | 180.0° | 179.7° |
| C22 | C23 | C24 | F2 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.0° | 0.1° |
| C22 | C23 | C24 | H24 | 180.0° | 180.0° |
| H22 | C22 | C23 | C24 | 180.0° | 179.9° |
| H22 | C22 | C23 | F2 | 0.0° | 0.1° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | F1 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.1° | 0.2° |
| F2 | C23 | C24 | C25 | 179.9° | 180.0° |
| F2 | C23 | C24 | H24 | 0.0° | 0.1° |
| C24 | C25 | F1 | C26 | 180.0° | 179.8° |
| C24 | C25 | C26 | H26 | 179.9° | 179.8° |
| H24 | C24 | C25 | F1 | 0.0° | 0.1° |
| H24 | C24 | C25 | C26 | 180.0° | 179.8° |
| F1 | C25 | C26 | H26 | 0.1° | 0.0° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.0° | 0.0° |
| C27 | C28 | C29 | H29 | 179.9° | 180.0° |
| H27 | C27 | C28 | C29 | 179.9° | 180.0° |
| H27 | C27 | C28 | H28 | 0.1° | 0.1° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | O4 | 179.9° | 180.0° |
| C28 | C29 | C30 | C31 | 0.0° | 0.3° |
| H28 | C28 | C29 | C30 | 180.0° | 180.0° |
| H28 | C28 | C29 | H29 | 0.0° | 0.1° |
| C29 | C30 | O4 | C31 | 179.9° | 179.7° |
| C29 | C30 | C31 | H31 | 179.9° | 179.7° |
| C29 | C30 | O4 | C32 | 167.8° | 0.0° |
| H29 | C29 | C30 | O4 | 0.1° | 0.0° |
| H29 | C29 | C30 | C31 | 180.0° | 179.7° |
| O4 | C30 | C31 | H31 | 0.1° | 0.0° |
| C30 | O4 | C32 | H321 | 137.2° | 60.1° |
| C30 | O4 | C32 | H322 | 17.2° | 60.0° |
| C30 | O4 | C32 | H323 | 102.8° | 180.0° |
| C31 | C30 | O4 | C32 | 12.2° | 179.7° |
| O4 | C32 | H321 | H322 | 120.0° | 120.0° |
| O4 | C32 | H321 | H323 | 120.0° | 119.9° |
| O4 | C32 | H322 | H323 | 120.0° | 120.0° |
| H321 | C32 | H322 | H323 | 120.0° | 120.0° |
| H331 | C33 | H332 | H333 | 120.0° | 120.0° |
