P2F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C15 | doub | 1.22Å | 1.21Å | |
| C15 | C25 | sing | 1.48Å | 1.50Å | |
| C15 | N1 | sing | 1.35Å | 1.38Å | |
| C25 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| C25 | C26 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | C23 | doub | 1.39Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.42Å | Aromatic |
| C27 | N2 | sing | 1.40Å | 1.41Å | |
| C27 | C22 | doub | 1.39Å | 1.37Å | Aromatic |
| N2 | C30 | sing | 1.47Å | 1.46Å | |
| N2 | S1 | sing | 1.66Å | 1.51Å | |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | S1 | sing | 1.81Å | 1.66Å | |
| S1 | O4 | doub | 1.42Å | 1.44Å | |
| S1 | O5 | doub | 1.42Å | 1.43Å | |
| C22 | C23 | sing | 1.40Å | 1.36Å | Aromatic |
| C23 | C28 | sing | 1.48Å | 1.49Å | |
| C28 | N3 | sing | 1.35Å | 1.39Å | |
| C28 | O6 | doub | 1.21Å | 1.22Å | |
| N3 | C33 | sing | 1.46Å | 1.49Å | |
| N3 | C36 | sing | 1.47Å | 1.48Å | |
| C33 | C34 | sing | 1.53Å | 1.57Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C36 | C37 | sing | 1.53Å | 1.52Å | |
| C37 | C38 | sing | 1.53Å | 1.51Å | |
| N1 | C11 | sing | 1.46Å | 1.45Å | |
| C11 | C14 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| C14 | C19 | sing | 1.51Å | 1.52Å | |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C21 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.42Å | Aromatic |
| C10 | O2 | sing | 1.43Å | 1.44Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| C9 | N4 | sing | 1.47Å | 1.49Å | |
| N4 | C7 | sing | 1.47Å | 1.49Å | |
| C7 | C12 | sing | 1.53Å | 1.53Å | |
| C7 | C13 | sing | 1.53Å | 1.53Å | |
| C7 | C3 | sing | 1.51Å | 1.53Å | |
| C3 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.41Å | Aromatic |
| C5 | O1 | sing | 1.36Å | 1.40Å | |
| O1 | C8 | sing | 1.43Å | 1.44Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H383 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| N4 | H4 | sing | 1.01Å | 1.00Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | 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 | |
| C2 | HA | sing | 1.08Å | 1.08Å | |
| C4 | HB | sing | 1.08Å | 1.08Å | |
| C1 | HC | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C8 | H83C | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C15 | C25 | 120.5° | 120.0° |
| O3 | C15 | N1 | 124.7° | 120.0° |
| C25 | C15 | N1 | 114.6° | 120.0° |
| C15 | C25 | C24 | 117.5° | 120.1° |
| C15 | C25 | C26 | 120.5° | 120.0° |
| C15 | N1 | C11 | 117.7° | 120.0° |
| C15 | N1 | H1 | 121.1° | 120.0° |
| C24 | C25 | C26 | 122.0° | 119.9° |
| C25 | C24 | C23 | 120.0° | 119.9° |
| C25 | C24 | H24 | 120.0° | 120.1° |
| C25 | C26 | C27 | 116.2° | 120.1° |
| C25 | C26 | H26 | 121.9° | 120.0° |
| C24 | C23 | C22 | 119.1° | 119.9° |
| C24 | C23 | C28 | 121.4° | 120.0° |
| C23 | C24 | H24 | 120.0° | 120.1° |
| C26 | C27 | N2 | 124.5° | 119.9° |
| C26 | C27 | C22 | 120.4° | 120.2° |
| C27 | C26 | H26 | 121.9° | 120.0° |
| N2 | C27 | C22 | 114.8° | 119.9° |
| C27 | N2 | C30 | 118.1° | 121.0° |
| C27 | N2 | S1 | 124.1° | 121.0° |
| C27 | C22 | C23 | 122.2° | 120.0° |
| C27 | C22 | H22 | 118.9° | 119.9° |
| C30 | N2 | S1 | 117.6° | 118.0° |
| N2 | C30 | C31 | 108.1° | 109.5° |
| N2 | C30 | H301 | 109.8° | 109.4° |
| N2 | C30 | H302 | 109.8° | 109.5° |
| N2 | S1 | C29 | 107.9° | 103.1° |
| N2 | S1 | O4 | 111.2° | 104.6° |
| N2 | S1 | O5 | 104.6° | 104.5° |
| C30 | C31 | C32 | 112.2° | 110.7° |
| C31 | C30 | H301 | 109.8° | 109.5° |
| C31 | C30 | H302 | 109.8° | 109.5° |
| C30 | C31 | H311 | 108.8° | 109.2° |
| C30 | C31 | H312 | 108.8° | 109.3° |
| C31 | C32 | C29 | 113.8° | 109.7° |
| C32 | C31 | H311 | 108.8° | 109.3° |
| C32 | C31 | H312 | 108.8° | 109.3° |
| C31 | C32 | H321 | 108.4° | 109.5° |
| C31 | C32 | H322 | 108.4° | 109.4° |
| C32 | C29 | S1 | 106.7° | 108.5° |
| C29 | C32 | H321 | 108.4° | 109.4° |
| C29 | C32 | H322 | 108.4° | 109.4° |
| C32 | C29 | H291 | 110.2° | 109.7° |
| C32 | C29 | H292 | 110.2° | 109.7° |
| C29 | S1 | O4 | 109.1° | 110.7° |
| C29 | S1 | O5 | 111.9° | 110.6° |
| S1 | C29 | H291 | 110.1° | 109.7° |
| S1 | C29 | H292 | 110.2° | 109.5° |
| O4 | S1 | O5 | 111.9° | 121.3° |
| C22 | C23 | C28 | 119.5° | 120.0° |
| C23 | C22 | H22 | 118.9° | 120.0° |
| C23 | C28 | N3 | 121.5° | 120.0° |
| C23 | C28 | O6 | 116.3° | 120.0° |
| N3 | C28 | O6 | 122.0° | 119.9° |
| C28 | N3 | C33 | 113.1° | 120.0° |
| C28 | N3 | C36 | 110.9° | 120.0° |
| C33 | N3 | C36 | 112.9° | 120.0° |
| N3 | C33 | C34 | 116.8° | 109.5° |
| N3 | C33 | H331 | 107.6° | 109.5° |
| N3 | C33 | H332 | 107.6° | 109.4° |
| N3 | C36 | C37 | 107.4° | 109.5° |
| N3 | C36 | H361 | 110.0° | 109.5° |
| N3 | C36 | H362 | 110.0° | 109.5° |
| C33 | C34 | C35 | 120.9° | 109.5° |
| C34 | C33 | H331 | 107.6° | 109.5° |
| C34 | C33 | H332 | 107.6° | 109.5° |
| C33 | C34 | H341 | 106.6° | 109.5° |
| C33 | C34 | H342 | 106.5° | 109.5° |
| C35 | C34 | H341 | 106.5° | 109.4° |
| C35 | C34 | H342 | 106.6° | 109.5° |
| C34 | C35 | H351 | 109.5° | 109.5° |
| C34 | C35 | H352 | 109.5° | 109.4° |
| C34 | C35 | H353 | 109.5° | 109.4° |
| C36 | C37 | C38 | 111.0° | 109.5° |
| C37 | C36 | H361 | 110.0° | 109.5° |
| C37 | C36 | H362 | 110.0° | 109.4° |
| C36 | C37 | H371 | 109.1° | 109.5° |
| C36 | C37 | H372 | 109.1° | 109.5° |
| C38 | C37 | H371 | 109.1° | 109.5° |
| C38 | C37 | H372 | 109.1° | 109.4° |
| C37 | C38 | H381 | 109.5° | 109.5° |
| C37 | C38 | H382 | 109.5° | 109.4° |
| C37 | C38 | H383 | 109.5° | 109.4° |
| N1 | C11 | C14 | 105.2° | 109.5° |
| N1 | C11 | C10 | 109.4° | 109.4° |
| C11 | N1 | H1 | 121.1° | 120.0° |
| N1 | C11 | H11 | 110.2° | 109.5° |
| C14 | C11 | C10 | 113.9° | 109.5° |
| C11 | C14 | C19 | 113.1° | 109.5° |
| C14 | C11 | H11 | 109.2° | 109.5° |
| C11 | C14 | H141 | 108.5° | 109.5° |
| C11 | C14 | H142 | 108.6° | 109.5° |
| C11 | C10 | O2 | 111.4° | 109.5° |
| C11 | C10 | C9 | 110.7° | 109.5° |
| C10 | C11 | H11 | 108.9° | 109.4° |
| C11 | C10 | H10 | 109.2° | 109.5° |
| C14 | C19 | C20 | 122.4° | 120.0° |
| C14 | C19 | C18 | 116.4° | 120.0° |
| C19 | C14 | H141 | 108.6° | 109.4° |
| C19 | C14 | H142 | 108.6° | 109.5° |
| C20 | C19 | C18 | 121.1° | 120.0° |
| C19 | C20 | C21 | 121.8° | 120.0° |
| C19 | C20 | H20 | 119.1° | 120.0° |
| C19 | C18 | C17 | 117.5° | 120.0° |
| C19 | C18 | H18 | 121.2° | 120.0° |
| C20 | C21 | C16 | 118.1° | 120.0° |
| C21 | C20 | H20 | 119.1° | 120.0° |
| C20 | C21 | H21 | 120.9° | 120.0° |
| C21 | C16 | C17 | 118.9° | 120.0° |
| C16 | C21 | H21 | 120.9° | 120.0° |
| C21 | C16 | H16 | 120.5° | 120.0° |
| C16 | C17 | C18 | 122.4° | 120.0° |
| C17 | C16 | H16 | 120.6° | 120.0° |
| C16 | C17 | H17 | 118.8° | 120.0° |
| C17 | C18 | H18 | 121.2° | 120.0° |
| C18 | C17 | H17 | 118.8° | 120.0° |
| O2 | C10 | C9 | 105.6° | 109.4° |
| O2 | C10 | H10 | 110.6° | 109.4° |
| C10 | O2 | H2 | 109.5° | 114.0° |
| C10 | C9 | N4 | 108.3° | 109.5° |
| C9 | C10 | H10 | 109.3° | 109.5° |
| C10 | C9 | H91C | 109.8° | 109.5° |
| C10 | C9 | H92C | 109.7° | 109.5° |
| C9 | N4 | C7 | 112.8° | 111.0° |
| N4 | C9 | H91C | 109.7° | 109.5° |
| N4 | C9 | H92C | 109.8° | 109.5° |
| C9 | N4 | H4 | 108.7° | 111.0° |
| N4 | C7 | C12 | 107.0° | 109.5° |
| N4 | C7 | C13 | 106.8° | 109.5° |
| N4 | C7 | C3 | 113.7° | 109.5° |
| C7 | N4 | H4 | 108.6° | 111.0° |
| C12 | C7 | C13 | 112.0° | 109.5° |
| C12 | C7 | C3 | 110.8° | 109.5° |
| C7 | C12 | H121 | 109.5° | 109.5° |
| C7 | C12 | H122 | 109.5° | 109.5° |
| C7 | C12 | H123 | 109.5° | 109.5° |
| C13 | C7 | C3 | 106.6° | 109.5° |
| C7 | C13 | H131 | 109.5° | 109.4° |
| C7 | C13 | H132 | 109.4° | 109.4° |
| C7 | C13 | H133 | 109.5° | 109.5° |
| C7 | C3 | C2 | 122.0° | 120.0° |
| C7 | C3 | C4 | 120.1° | 119.9° |
| C2 | C3 | C4 | 118.0° | 120.1° |
| C3 | C2 | C1 | 121.6° | 120.1° |
| C3 | C2 | HA | 119.2° | 120.0° |
| C3 | C4 | C5 | 121.5° | 119.9° |
| C3 | C4 | HB | 119.2° | 120.1° |
| C2 | C1 | C6 | 119.3° | 120.1° |
| C1 | C2 | HA | 119.2° | 119.9° |
| C2 | C1 | HC | 120.4° | 119.9° |
| C1 | C6 | C5 | 120.1° | 119.9° |
| C6 | C1 | HC | 120.4° | 120.0° |
| C1 | C6 | H6 | 120.0° | 120.1° |
| C6 | C5 | C4 | 119.6° | 119.9° |
| C6 | C5 | O1 | 124.9° | 120.0° |
| C5 | C6 | H6 | 120.0° | 120.0° |
| C4 | C5 | O1 | 115.5° | 120.1° |
| C5 | C4 | HB | 119.3° | 120.0° |
| C5 | O1 | C8 | 128.1° | 117.0° |
| O1 | C8 | H81C | 109.5° | 109.4° |
| O1 | C8 | H82C | 109.5° | 109.5° |
| O1 | C8 | H83C | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.4° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.2° |
| H321 | C32 | H322 | 109.5° | 109.4° |
| H291 | C29 | H292 | 109.5° | 109.7° |
| H331 | C33 | H332 | 109.4° | 109.5° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.5° | 109.4° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H351 | C35 | H353 | 109.5° | 109.5° |
| H352 | C35 | H353 | 109.5° | 109.5° |
| H371 | C37 | H372 | 109.5° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H381 | C38 | H383 | 109.4° | 109.5° |
| H382 | C38 | H383 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H91C | C9 | H92C | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.4° | 109.4° |
| H121 | C12 | H123 | 109.5° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.4° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H81C | C8 | H82C | 109.5° | 109.5° |
| H81C | C8 | H83C | 109.5° | 109.5° |
| H82C | C8 | H83C | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C15 | C25 | N1 | 175.0° | 179.6° |
| O3 | C15 | C25 | C24 | 141.8° | 177.9° |
| O3 | C15 | C25 | C26 | 39.3° | 2.5° |
| O3 | C15 | N1 | C11 | 7.2° | 4.3° |
| O3 | C15 | N1 | H1 | 172.8° | 175.8° |
| C15 | C25 | C24 | C26 | 179.0° | 179.6° |
| C15 | C25 | C24 | C23 | 179.1° | 180.0° |
| C15 | C25 | C26 | C27 | 179.4° | 180.0° |
| C25 | C15 | N1 | C11 | 178.0° | 176.1° |
| C25 | C15 | N1 | H1 | 2.0° | 3.9° |
| C15 | C25 | C24 | H24 | 0.9° | 0.1° |
| C15 | C25 | C26 | H26 | 0.6° | 0.1° |
| N1 | C15 | C25 | C24 | 43.2° | 1.7° |
| N1 | C15 | C25 | C26 | 135.8° | 177.9° |
| C15 | N1 | C11 | H1 | 180.0° | 179.9° |
| C15 | N1 | C11 | C14 | 127.4° | 92.3° |
| C15 | N1 | C11 | C10 | 109.8° | 147.7° |
| C15 | N1 | C11 | H11 | 9.9° | 27.7° |
| C25 | C24 | C23 | H24 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.4° | 0.3° |
| C25 | C24 | C23 | C22 | 0.8° | 0.0° |
| C25 | C24 | C23 | C28 | 179.3° | 180.0° |
| C24 | C25 | C26 | H26 | 179.6° | 179.7° |
| C26 | C25 | C24 | C23 | 0.1° | 0.3° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | N2 | 175.5° | 180.0° |
| C25 | C26 | C27 | C22 | 1.3° | 0.0° |
| C26 | C25 | C24 | H24 | 179.9° | 179.8° |
| C24 | C23 | C22 | C27 | 1.7° | 0.4° |
| C24 | C23 | C22 | C28 | 178.5° | 179.9° |
| C24 | C23 | C28 | N3 | 60.4° | 48.9° |
| C24 | C23 | C28 | O6 | 114.1° | 131.2° |
| C24 | C23 | C22 | H22 | 178.3° | 180.0° |
| C26 | C27 | N2 | C22 | 174.5° | 180.0° |
| C26 | C27 | N2 | C30 | 118.2° | 54.3° |
| C26 | C27 | N2 | S1 | 57.1° | 125.4° |
| C26 | C27 | C22 | C23 | 2.0° | 0.4° |
| C26 | C27 | C22 | H22 | 178.0° | 180.0° |
| C27 | N2 | C30 | S1 | 175.5° | 179.7° |
| C27 | N2 | C30 | C31 | 120.4° | 122.5° |
| C27 | N2 | S1 | C29 | 169.1° | 131.4° |
| C27 | N2 | S1 | O4 | 49.4° | 15.6° |
| C27 | N2 | S1 | O5 | 71.6° | 112.8° |
| N2 | C27 | C22 | C23 | 176.8° | 179.7° |
| N2 | C27 | C26 | H26 | 4.5° | 0.0° |
| N2 | C27 | C22 | H22 | 3.3° | 0.1° |
| C27 | N2 | C30 | H301 | 119.8° | 117.5° |
| C27 | N2 | C30 | H302 | 0.6° | 2.5° |
| C22 | C27 | N2 | C30 | 56.3° | 125.7° |
| C22 | C27 | N2 | S1 | 128.5° | 54.6° |
| C27 | C22 | C23 | H22 | 180.0° | 179.6° |
| C27 | C22 | C23 | C28 | 179.7° | 179.7° |
| C22 | C27 | C26 | H26 | 178.7° | 179.9° |
| N2 | C30 | C31 | H301 | 119.8° | 120.0° |
| N2 | C30 | C31 | H302 | 119.8° | 120.0° |
| N2 | C30 | C31 | C32 | 47.0° | 64.3° |
| C30 | N2 | S1 | C29 | 15.7° | 48.3° |
| C30 | N2 | S1 | O4 | 135.3° | 164.1° |
| C30 | N2 | S1 | O5 | 103.7° | 67.5° |
| N2 | C30 | H301 | H302 | 120.6° | 120.0° |
| N2 | C30 | C31 | H311 | 167.4° | 175.4° |
| N2 | C30 | C31 | H312 | 73.5° | 56.0° |
| S1 | N2 | C30 | C31 | 64.1° | 57.2° |
| N2 | S1 | C29 | C32 | 44.3° | 48.3° |
| N2 | S1 | C29 | O4 | 121.0° | 111.4° |
| N2 | S1 | C29 | O5 | 114.6° | 111.3° |
| N2 | S1 | O4 | O5 | 116.6° | 117.5° |
| S1 | N2 | C30 | H301 | 55.7° | 62.8° |
| S1 | N2 | C30 | H302 | 176.1° | 177.2° |
| N2 | S1 | C29 | H291 | 75.3° | 168.1° |
| N2 | S1 | C29 | H292 | 163.9° | 71.4° |
| C30 | C31 | C32 | H311 | 120.4° | 120.2° |
| C30 | C31 | C32 | H312 | 120.4° | 120.4° |
| C30 | C31 | C32 | C29 | 13.9° | 70.3° |
| C31 | C30 | H301 | H302 | 120.6° | 120.0° |
| C30 | C31 | H311 | H312 | 118.7° | 119.4° |
| C30 | C31 | C32 | H321 | 134.6° | 49.8° |
| C30 | C31 | C32 | H322 | 106.7° | 169.6° |
| C31 | C32 | C29 | H321 | 120.6° | 120.1° |
| C31 | C32 | C29 | H322 | 120.6° | 120.1° |
| C31 | C32 | C29 | S1 | 59.9° | 61.6° |
| C32 | C31 | C30 | H301 | 72.9° | 55.6° |
| C32 | C31 | C30 | H302 | 166.7° | 175.7° |
| C32 | C31 | H311 | H312 | 118.7° | 119.4° |
| C31 | C32 | H321 | H322 | 118.0° | 119.9° |
| C31 | C32 | C29 | H291 | 59.6° | 178.5° |
| C31 | C32 | C29 | H292 | 179.5° | 58.0° |
| C32 | C29 | S1 | H291 | 119.6° | 119.8° |
| C32 | C29 | S1 | H292 | 119.6° | 119.7° |
| C32 | C29 | S1 | O4 | 76.7° | 159.7° |
| C32 | C29 | S1 | O5 | 158.8° | 63.0° |
| C29 | C32 | C31 | H311 | 106.5° | 169.5° |
| C29 | C32 | C31 | H312 | 134.3° | 50.1° |
| C29 | C32 | H321 | H322 | 118.0° | 119.8° |
| C32 | C29 | H291 | H292 | 121.3° | 120.5° |
| C29 | S1 | O4 | O5 | 124.4° | 132.1° |
| S1 | C29 | C32 | H321 | 179.4° | 58.5° |
| S1 | C29 | C32 | H322 | 60.7° | 178.3° |
| S1 | C29 | H291 | H292 | 121.3° | 120.4° |
| O4 | S1 | C29 | H291 | 163.7° | 80.5° |
| O4 | S1 | C29 | H292 | 42.8° | 40.0° |
| O5 | S1 | C29 | H291 | 39.3° | 56.8° |
| O5 | S1 | C29 | H292 | 81.6° | 177.3° |
| C22 | C23 | C28 | N3 | 121.1° | 131.1° |
| C22 | C23 | C28 | O6 | 64.4° | 48.9° |
| C22 | C23 | C24 | H24 | 179.2° | 179.9° |
| C23 | C28 | N3 | O6 | 174.3° | 179.9° |
| C23 | C28 | N3 | C33 | 171.9° | 174.8° |
| C23 | C28 | N3 | C36 | 60.2° | 5.3° |
| C28 | C23 | C24 | H24 | 0.7° | 0.0° |
| C28 | C23 | C22 | H22 | 0.2° | 0.1° |
| C28 | N3 | C33 | C36 | 126.9° | 180.0° |
| C28 | N3 | C33 | C34 | 65.3° | 90.0° |
| C28 | N3 | C36 | C37 | 110.4° | 98.7° |
| C28 | N3 | C33 | H331 | 173.6° | 150.0° |
| C28 | N3 | C33 | H332 | 55.8° | 29.9° |
| C28 | N3 | C36 | H361 | 9.2° | 141.3° |
| C28 | N3 | C36 | H362 | 129.9° | 21.3° |
| O6 | C28 | N3 | C33 | 2.4° | 5.2° |
| O6 | C28 | N3 | C36 | 125.5° | 174.8° |
| N3 | C33 | C34 | H331 | 121.1° | 120.0° |
| N3 | C33 | C34 | H332 | 121.1° | 120.0° |
| N3 | C33 | C34 | C35 | 28.8° | 180.0° |
| C33 | N3 | C36 | C37 | 121.5° | 81.3° |
| N3 | C33 | H331 | H332 | 116.6° | 120.0° |
| C33 | N3 | C36 | H361 | 118.8° | 38.7° |
| C33 | N3 | C36 | H362 | 1.8° | 158.7° |
| N3 | C33 | C34 | H341 | 150.4° | 60.0° |
| N3 | C33 | C34 | H342 | 92.8° | 60.0° |
| C36 | N3 | C33 | C34 | 167.8° | 90.0° |
| N3 | C36 | C37 | H361 | 119.7° | 120.0° |
| N3 | C36 | C37 | H362 | 119.7° | 120.0° |
| N3 | C36 | C37 | C38 | 179.3° | 173.6° |
| C36 | N3 | C33 | H331 | 46.7° | 30.0° |
| C36 | N3 | C33 | H332 | 71.1° | 150.0° |
| N3 | C36 | H361 | H362 | 121.0° | 120.1° |
| N3 | C36 | C37 | H371 | 59.1° | 53.6° |
| N3 | C36 | C37 | H372 | 60.5° | 66.4° |
| C33 | C34 | C35 | H341 | 121.6° | 120.0° |
| C33 | C34 | C35 | H342 | 121.6° | 120.1° |
| C34 | C33 | H331 | H332 | 116.7° | 120.0° |
| C33 | C34 | H341 | H342 | 114.8° | 120.0° |
| C33 | C34 | C35 | H351 | 180.0° | 59.9° |
| C33 | C34 | C35 | H352 | 60.0° | 180.0° |
| C33 | C34 | C35 | H353 | 60.0° | 60.0° |
| C35 | C34 | C33 | H331 | 92.3° | 60.0° |
| C35 | C34 | C33 | H332 | 149.8° | 60.0° |
| C35 | C34 | H341 | H342 | 114.9° | 120.0° |
| C34 | C35 | H351 | H352 | 120.0° | 120.0° |
| C34 | C35 | H351 | H353 | 120.0° | 120.0° |
| C34 | C35 | H352 | H353 | 120.0° | 120.0° |
| C36 | C37 | C38 | H371 | 120.2° | 120.0° |
| C36 | C37 | C38 | H372 | 120.2° | 120.0° |
| C37 | C36 | H361 | H362 | 121.0° | 120.0° |
| C36 | C37 | H371 | H372 | 119.3° | 120.0° |
| C36 | C37 | C38 | H381 | 180.0° | 175.6° |
| C36 | C37 | C38 | H382 | 60.0° | 55.5° |
| C36 | C37 | C38 | H383 | 60.0° | 64.4° |
| C38 | C37 | C36 | H361 | 61.0° | 66.4° |
| C38 | C37 | C36 | H362 | 59.6° | 53.6° |
| C38 | C37 | H371 | H372 | 119.3° | 120.0° |
| C37 | C38 | H381 | H382 | 120.0° | 120.0° |
| C37 | C38 | H381 | H383 | 120.0° | 120.0° |
| C37 | C38 | H382 | H383 | 120.0° | 119.9° |
| N1 | C11 | C14 | C10 | 119.9° | 120.0° |
| N1 | C11 | C14 | H11 | 118.3° | 120.0° |
| N1 | C11 | C10 | H11 | 120.5° | 120.0° |
| N1 | C11 | C14 | C19 | 56.7° | 65.0° |
| N1 | C11 | C10 | O2 | 177.5° | 63.2° |
| N1 | C11 | C10 | C9 | 65.3° | 176.8° |
| N1 | C11 | C14 | H141 | 63.9° | 54.9° |
| N1 | C11 | C14 | H142 | 177.2° | 175.0° |
| N1 | C11 | C10 | H10 | 55.1° | 56.8° |
| C14 | C11 | C10 | H11 | 122.0° | 120.0° |
| C11 | C14 | C19 | H141 | 120.5° | 119.9° |
| C11 | C14 | C19 | H142 | 120.5° | 120.0° |
| C11 | C14 | C19 | C20 | 108.7° | 90.0° |
| C11 | C14 | C19 | C18 | 73.1° | 90.3° |
| C14 | C11 | C10 | O2 | 60.1° | 56.8° |
| C14 | C11 | C10 | C9 | 177.3° | 63.2° |
| C14 | C11 | N1 | H1 | 52.6° | 87.6° |
| C11 | C14 | H141 | H142 | 118.3° | 120.0° |
| C14 | C11 | C10 | H10 | 62.4° | 176.8° |
| C10 | C11 | C14 | C19 | 176.6° | 175.0° |
| C11 | C10 | O2 | C9 | 120.2° | 120.0° |
| C11 | C10 | O2 | H10 | 121.6° | 120.0° |
| C11 | C10 | C9 | H10 | 120.2° | 120.1° |
| C11 | C10 | C9 | N4 | 175.4° | 175.0° |
| C10 | C11 | N1 | H1 | 70.2° | 32.4° |
| C10 | C11 | C14 | H141 | 56.0° | 65.0° |
| C10 | C11 | C14 | H142 | 62.9° | 55.0° |
| C11 | C10 | O2 | H2 | 180.0° | 60.0° |
| C11 | C10 | C9 | H91C | 55.6° | 55.0° |
| C11 | C10 | C9 | H92C | 64.8° | 65.0° |
| C14 | C19 | C20 | C18 | 178.1° | 179.7° |
| C14 | C19 | C20 | C21 | 179.4° | 180.0° |
| C14 | C19 | C18 | C17 | 178.5° | 179.8° |
| C19 | C14 | C11 | H11 | 61.6° | 55.1° |
| C19 | C14 | H141 | H142 | 118.3° | 120.0° |
| C14 | C19 | C20 | H20 | 0.6° | 0.0° |
| C14 | C19 | C18 | H18 | 1.5° | 0.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C16 | 1.0° | 0.0° |
| C20 | C19 | C18 | C17 | 3.3° | 0.5° |
| C20 | C19 | C14 | H141 | 11.9° | 30.0° |
| C20 | C19 | C14 | H142 | 130.8° | 150.0° |
| C20 | C19 | C18 | H18 | 176.7° | 179.8° |
| C19 | C20 | C21 | H21 | 179.0° | 180.0° |
| C18 | C19 | C20 | C21 | 2.5° | 0.3° |
| C19 | C18 | C17 | C16 | 2.8° | 0.5° |
| C19 | C18 | C17 | H18 | 180.0° | 179.7° |
| C18 | C19 | C14 | H141 | 166.3° | 149.7° |
| C18 | C19 | C14 | H142 | 47.4° | 29.7° |
| C18 | C19 | C20 | H20 | 177.5° | 179.7° |
| C19 | C18 | C17 | H17 | 177.2° | 179.7° |
| C20 | C21 | C16 | H21 | 180.0° | 180.0° |
| C20 | C21 | C16 | C17 | 0.4° | 0.0° |
| C20 | C21 | C16 | H16 | 179.6° | 179.9° |
| C21 | C16 | C17 | H16 | 180.0° | 180.0° |
| C21 | C16 | C17 | C18 | 1.4° | 0.2° |
| C16 | C21 | C20 | H20 | 179.0° | 180.0° |
| C21 | C16 | C17 | H17 | 178.6° | 179.9° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | H18 | 177.2° | 179.8° |
| C17 | C16 | C21 | H21 | 179.6° | 180.0° |
| C18 | C17 | C16 | H16 | 178.6° | 179.8° |
| O2 | C10 | C9 | H10 | 119.1° | 119.9° |
| O2 | C10 | C9 | N4 | 63.9° | 65.0° |
| O2 | C10 | C11 | H11 | 62.0° | 176.8° |
| O2 | C10 | C9 | H91C | 176.3° | 175.0° |
| O2 | C10 | C9 | H92C | 55.9° | 55.0° |
| C10 | C9 | N4 | H91C | 119.8° | 120.0° |
| C10 | C9 | N4 | H92C | 119.8° | 120.0° |
| C10 | C9 | N4 | C7 | 166.0° | 180.0° |
| C9 | C10 | C11 | H11 | 55.2° | 56.9° |
| C9 | C10 | O2 | H2 | 59.8° | 60.1° |
| C10 | C9 | H91C | H92C | 120.5° | 120.0° |
| C10 | C9 | N4 | H4 | 45.6° | 56.0° |
| C9 | N4 | C7 | H4 | 120.5° | 124.0° |
| C9 | N4 | C7 | C12 | 71.6° | 60.0° |
| C9 | N4 | C7 | C13 | 168.3° | 60.0° |
| C9 | N4 | C7 | C3 | 51.0° | 180.0° |
| N4 | C9 | C10 | H10 | 55.1° | 54.9° |
| N4 | C9 | H91C | H92C | 120.5° | 120.0° |
| N4 | C7 | C12 | C13 | 116.7° | 120.0° |
| N4 | C7 | C12 | C3 | 124.4° | 120.0° |
| N4 | C7 | C13 | C3 | 121.9° | 120.0° |
| N4 | C7 | C3 | C2 | 37.4° | 0.0° |
| N4 | C7 | C3 | C4 | 143.6° | 179.7° |
| C7 | N4 | C9 | H91C | 74.1° | 60.0° |
| C7 | N4 | C9 | H92C | 46.2° | 60.0° |
| N4 | C7 | C12 | H121 | 180.0° | 60.0° |
| N4 | C7 | C12 | H122 | 60.0° | 180.0° |
| N4 | C7 | C12 | H123 | 60.0° | 60.0° |
| N4 | C7 | C13 | H131 | 180.0° | 60.0° |
| N4 | C7 | C13 | H132 | 60.0° | 180.0° |
| N4 | C7 | C13 | H133 | 60.0° | 60.0° |
| C12 | C7 | C13 | C3 | 121.3° | 120.0° |
| C12 | C7 | C3 | C2 | 157.9° | 120.0° |
| C12 | C7 | C3 | C4 | 23.1° | 59.7° |
| C12 | C7 | N4 | H4 | 48.8° | 176.0° |
| C7 | C12 | H121 | H122 | 120.0° | 120.0° |
| C7 | C12 | H121 | H123 | 120.0° | 120.0° |
| C7 | C12 | H122 | H123 | 120.0° | 120.0° |
| C12 | C7 | C13 | H131 | 63.2° | 180.0° |
| C12 | C7 | C13 | H132 | 56.8° | 60.0° |
| C12 | C7 | C13 | H133 | 176.8° | 60.0° |
| C13 | C7 | C3 | C2 | 80.0° | 120.0° |
| C13 | C7 | C3 | C4 | 99.0° | 60.3° |
| C13 | C7 | N4 | H4 | 71.3° | 64.0° |
| C13 | C7 | C12 | H121 | 63.3° | 60.0° |
| C13 | C7 | C12 | H122 | 176.7° | 60.0° |
| C13 | C7 | C12 | H123 | 56.7° | 180.0° |
| C7 | C13 | H131 | H132 | 120.0° | 120.0° |
| C7 | C13 | H131 | H133 | 120.0° | 120.0° |
| C7 | C13 | H132 | H133 | 120.0° | 120.0° |
| C7 | C3 | C2 | C4 | 179.1° | 179.7° |
| C7 | C3 | C2 | C1 | 179.8° | 180.0° |
| C7 | C3 | C4 | C5 | 179.5° | 179.8° |
| C3 | C7 | N4 | H4 | 171.5° | 56.0° |
| C3 | C7 | C12 | H121 | 55.6° | 180.0° |
| C3 | C7 | C12 | H122 | 64.4° | 60.0° |
| C3 | C7 | C12 | H123 | 175.6° | 60.0° |
| C3 | C7 | C13 | H131 | 58.1° | 60.0° |
| C3 | C7 | C13 | H132 | 178.1° | 60.0° |
| C3 | C7 | C13 | H133 | 61.9° | 180.0° |
| C7 | C3 | C2 | HA | 0.2° | 0.1° |
| C7 | C3 | C4 | HB | 0.5° | 0.0° |
| C3 | C2 | C1 | HA | 180.0° | 179.9° |
| C3 | C2 | C1 | C6 | 1.5° | 0.1° |
| C2 | C3 | C4 | C5 | 0.4° | 0.5° |
| C2 | C3 | C4 | HB | 179.6° | 179.7° |
| C3 | C2 | C1 | HC | 178.5° | 179.9° |
| C4 | C3 | C2 | C1 | 1.1° | 0.3° |
| C3 | C4 | C5 | C6 | 0.0° | 0.5° |
| C3 | C4 | C5 | HB | 180.0° | 179.8° |
| C3 | C4 | C5 | O1 | 179.2° | 179.7° |
| C4 | C3 | C2 | HA | 178.9° | 179.8° |
| C2 | C1 | C6 | HC | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 1.1° | 0.0° |
| C2 | C1 | C6 | H6 | 178.9° | 180.0° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | C4 | 0.4° | 0.2° |
| C1 | C6 | C5 | O1 | 179.5° | 179.9° |
| C6 | C1 | C2 | HA | 178.5° | 180.0° |
| C6 | C5 | C4 | O1 | 179.1° | 179.8° |
| C6 | C5 | O1 | C8 | 12.4° | 0.0° |
| C6 | C5 | C4 | HB | 180.0° | 179.8° |
| C5 | C6 | C1 | HC | 178.9° | 180.0° |
| C4 | C5 | O1 | C8 | 168.5° | 179.8° |
| C4 | C5 | C6 | H6 | 179.6° | 179.8° |
| O1 | C5 | C4 | HB | 0.8° | 0.1° |
| O1 | C5 | C6 | H6 | 0.5° | 0.0° |
| C5 | O1 | C8 | H81C | 180.0° | 60.0° |
| C5 | O1 | C8 | H82C | 60.0° | 59.9° |
| C5 | O1 | C8 | H83C | 60.0° | 180.0° |
| O1 | C8 | H81C | H82C | 120.0° | 120.0° |
| O1 | C8 | H81C | H83C | 120.0° | 120.0° |
| O1 | C8 | H82C | H83C | 120.0° | 120.1° |
| H1 | N1 | C11 | H11 | 170.1° | 152.3° |
| H301 | C30 | C31 | H311 | 47.5° | 64.7° |
| H301 | C30 | C31 | H312 | 166.7° | 176.0° |
| H302 | C30 | C31 | H311 | 72.8° | 55.4° |
| H302 | C30 | C31 | H312 | 46.3° | 64.0° |
| H311 | C31 | C32 | H321 | 14.1° | 70.5° |
| H311 | C31 | C32 | H322 | 132.9° | 49.4° |
| H312 | C31 | C32 | H321 | 105.0° | 170.1° |
| H312 | C31 | C32 | H322 | 13.7° | 70.0° |
| H321 | C32 | C29 | H291 | 61.0° | 61.4° |
| H321 | C32 | C29 | H292 | 59.8° | 178.1° |
| H322 | C32 | C29 | H291 | 179.7° | 58.4° |
| H322 | C32 | C29 | H292 | 58.9° | 62.1° |
| H331 | C33 | C34 | H341 | 29.3° | 180.0° |
| H331 | C33 | C34 | H342 | 146.1° | 60.0° |
| H332 | C33 | C34 | H341 | 88.6° | 60.0° |
| H332 | C33 | C34 | H342 | 28.2° | 179.9° |
| H361 | C36 | C37 | H371 | 178.7° | 173.6° |
| H361 | C36 | C37 | H372 | 59.2° | 53.6° |
| H362 | C36 | C37 | H371 | 60.6° | 66.5° |
| H362 | C36 | C37 | H372 | 179.9° | 173.5° |
| H341 | C34 | C35 | H351 | 58.4° | 60.0° |
| H341 | C34 | C35 | H352 | 178.4° | 60.0° |
| H341 | C34 | C35 | H353 | 61.6° | 180.0° |
| H342 | C34 | C35 | H351 | 58.4° | 180.0° |
| H342 | C34 | C35 | H352 | 61.6° | 60.0° |
| H342 | C34 | C35 | H353 | 178.4° | 60.0° |
| H351 | C35 | H352 | H353 | 120.0° | 120.0° |
| H371 | C37 | C38 | H381 | 59.8° | 64.4° |
| H371 | C37 | C38 | H382 | 179.8° | 175.6° |
| H371 | C37 | C38 | H383 | 60.2° | 55.6° |
| H372 | C37 | C38 | H381 | 59.8° | 55.6° |
| H372 | C37 | C38 | H382 | 60.2° | 64.5° |
| H372 | C37 | C38 | H383 | 179.7° | 175.6° |
| H381 | C38 | H382 | H383 | 120.0° | 120.0° |
| H11 | C11 | C14 | H141 | 177.9° | 175.0° |
| H11 | C11 | C14 | H142 | 59.0° | 65.0° |
| H11 | C11 | C10 | H10 | 175.6° | 63.2° |
| H10 | C10 | O2 | H2 | 58.4° | 180.0° |
| H10 | C10 | C9 | H91C | 64.7° | 65.1° |
| H10 | C10 | C9 | H92C | 175.0° | 174.9° |
| H20 | C20 | C21 | H21 | 1.0° | 0.0° |
| H18 | C18 | C17 | H17 | 2.7° | 0.1° |
| H21 | C21 | C16 | H16 | 0.5° | 0.1° |
| H16 | C16 | C17 | H17 | 1.4° | 0.0° |
| H91C | C9 | N4 | H4 | 165.4° | 176.0° |
| H92C | C9 | N4 | H4 | 74.3° | 64.0° |
| H121 | C12 | H122 | H123 | 120.0° | 120.0° |
| H131 | C13 | H132 | H133 | 120.0° | 120.1° |
| HA | C2 | C1 | HC | 1.5° | 0.0° |
| HC | C1 | C6 | H6 | 1.1° | 0.0° |
| H81C | C8 | H82C | H83C | 120.0° | 120.0° |
