3BF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | sing | 1.53Å | 1.55Å | |
| C28 | C20 | sing | 1.53Å | 1.55Å | |
| C20 | C17 | sing | 1.51Å | 1.51Å | |
| C11 | N11 | sing | 1.47Å | 1.46Å | |
| S16 | C17 | sing | 1.71Å | 1.67Å | Aromatic |
| S16 | C15 | sing | 1.76Å | 1.68Å | Aromatic |
| O12 | C14 | doub | 1.22Å | 1.22Å | |
| C17 | C18 | doub | 1.35Å | 1.34Å | Aromatic |
| N11 | C10 | sing | 1.36Å | 1.35Å | Aromatic |
| N11 | C12 | sing | 1.38Å | 1.35Å | Aromatic |
| C29 | N26 | sing | 1.47Å | 1.49Å | |
| C14 | C12 | sing | 1.47Å | 1.52Å | |
| C14 | N14 | sing | 1.35Å | 1.28Å | |
| O22 | C22 | doub | 1.22Å | 1.22Å | |
| C18 | C22 | sing | 1.47Å | 1.49Å | |
| C18 | N19 | sing | 1.34Å | 1.35Å | Aromatic |
| C15 | N14 | sing | 1.39Å | 1.45Å | |
| C15 | N19 | doub | 1.30Å | 1.34Å | Aromatic |
| C10 | C9 | doub | 1.36Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | N22 | sing | 1.35Å | 1.28Å | |
| N26 | C27 | sing | 1.47Å | 1.49Å | |
| N26 | C25 | sing | 1.47Å | 1.49Å | |
| C9 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | N8 | sing | 1.41Å | 1.36Å | |
| C25 | C24 | sing | 1.53Å | 1.56Å | |
| O7 | C7 | doub | 1.22Å | 1.22Å | |
| N22 | C23 | sing | 1.47Å | 1.46Å | |
| N8 | C7 | sing | 1.35Å | 1.28Å | |
| C7 | C6 | sing | 1.47Å | 1.48Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C5 | N5 | sing | 1.46Å | 1.46Å | |
| C6 | N5 | sing | 1.37Å | 1.30Å | Aromatic |
| C6 | N6 | doub | 1.32Å | 1.33Å | Aromatic |
| N5 | C4 | sing | 1.36Å | 1.30Å | Aromatic |
| N6 | C3 | sing | 1.33Å | 1.34Å | Aromatic |
| C4 | C3 | doub | 1.36Å | 1.34Å | Aromatic |
| C3 | N2 | sing | 1.40Å | 1.45Å | |
| N2 | C1' | sing | 1.35Å | 1.28Å | |
| O1' | C1' | doub | 1.21Å | 1.22Å | |
| C1' | C1 | sing | 1.51Å | 1.51Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| N8 | H8 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C1 | H102 | sing | 1.09Å | 1.10Å | |
| C1 | H101 | sing | 1.09Å | 1.10Å | |
| C1 | H103 | sing | 1.09Å | 1.10Å | |
| C5 | H53 | sing | 1.09Å | 1.10Å | |
| C5 | H51 | sing | 1.09Å | 1.10Å | |
| C5 | H52 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| N14 | H14 | sing | 0.97Å | 1.00Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| N22 | H22 | sing | 0.97Å | 1.00Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H293 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| N26 | H26 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C20 | C28 | 110.8° | 109.5° |
| C21 | C20 | C17 | 111.6° | 109.5° |
| C21 | C20 | H20 | 108.4° | 109.5° |
| C20 | C21 | H212 | 109.5° | 109.5° |
| C20 | C21 | H211 | 109.5° | 109.4° |
| C20 | C21 | H213 | 109.5° | 109.5° |
| C28 | C20 | C17 | 108.5° | 109.5° |
| C28 | C20 | H20 | 108.5° | 109.5° |
| C20 | C28 | H283 | 109.5° | 109.5° |
| C20 | C28 | H281 | 109.4° | 109.4° |
| C20 | C28 | H282 | 109.5° | 109.5° |
| C20 | C17 | S16 | 122.4° | 125.4° |
| C20 | C17 | C18 | 130.5° | 125.4° |
| C17 | C20 | H20 | 108.9° | 109.4° |
| C11 | N11 | C10 | 124.4° | 125.7° |
| C11 | N11 | C12 | 126.3° | 125.7° |
| N11 | C11 | H111 | 109.5° | 109.4° |
| N11 | C11 | H112 | 109.5° | 109.5° |
| N11 | C11 | H113 | 109.5° | 109.5° |
| C17 | S16 | C15 | 94.5° | 90.7° |
| S16 | C17 | C18 | 107.1° | 109.2° |
| S16 | C15 | N14 | 124.4° | 125.3° |
| S16 | C15 | N19 | 109.4° | 109.5° |
| O12 | C14 | C12 | 115.7° | 120.0° |
| O12 | C14 | N14 | 120.9° | 119.9° |
| C17 | C18 | C22 | 124.3° | 122.5° |
| C17 | C18 | N19 | 116.9° | 115.0° |
| C10 | N11 | C12 | 109.1° | 108.7° |
| N11 | C10 | C9 | 109.1° | 108.8° |
| N11 | C10 | H10 | 125.5° | 125.6° |
| N11 | C12 | C14 | 123.4° | 126.2° |
| N11 | C12 | C13 | 108.5° | 107.7° |
| C29 | N26 | C27 | 110.0° | 109.4° |
| C29 | N26 | C25 | 109.7° | 109.5° |
| N26 | C29 | H291 | 109.5° | 109.5° |
| N26 | C29 | H293 | 109.5° | 109.4° |
| N26 | C29 | H292 | 109.5° | 109.4° |
| C29 | N26 | H26 | 108.2° | 109.5° |
| C12 | C14 | N14 | 123.4° | 120.0° |
| C14 | C12 | C13 | 128.0° | 126.2° |
| C14 | N14 | C15 | 123.4° | 120.0° |
| C14 | N14 | H14 | 118.3° | 120.0° |
| O22 | C22 | C18 | 118.8° | 120.0° |
| O22 | C22 | N22 | 121.7° | 120.0° |
| C22 | C18 | N19 | 118.8° | 122.5° |
| C18 | C22 | N22 | 119.5° | 120.0° |
| C18 | N19 | C15 | 112.0° | 115.7° |
| N14 | C15 | N19 | 126.2° | 125.3° |
| C15 | N14 | H14 | 118.4° | 120.0° |
| C10 | C9 | C13 | 106.3° | 107.7° |
| C10 | C9 | N8 | 127.1° | 126.2° |
| C9 | C10 | H10 | 125.4° | 125.6° |
| C12 | C13 | C9 | 106.7° | 107.2° |
| C12 | C13 | H13 | 126.7° | 126.4° |
| C22 | N22 | C23 | 115.3° | 120.0° |
| C22 | N22 | H22 | 122.4° | 120.0° |
| C27 | N26 | C25 | 112.6° | 109.5° |
| N26 | C27 | H273 | 109.5° | 109.4° |
| N26 | C27 | H272 | 109.5° | 109.4° |
| N26 | C27 | H271 | 109.4° | 109.5° |
| C27 | N26 | H26 | 108.2° | 109.5° |
| N26 | C25 | C24 | 117.0° | 109.4° |
| N26 | C25 | H251 | 107.5° | 109.5° |
| N26 | C25 | H252 | 107.6° | 109.5° |
| C25 | N26 | H26 | 108.1° | 109.5° |
| C13 | C9 | N8 | 126.6° | 126.2° |
| C9 | C13 | H13 | 126.7° | 126.4° |
| C9 | N8 | C7 | 123.9° | 120.0° |
| C9 | N8 | H8 | 118.0° | 120.0° |
| C25 | C24 | C23 | 114.6° | 109.5° |
| C25 | C24 | H242 | 108.2° | 109.5° |
| C25 | C24 | H241 | 108.2° | 109.4° |
| C24 | C25 | H251 | 107.6° | 109.4° |
| C24 | C25 | H252 | 107.5° | 109.4° |
| O7 | C7 | N8 | 120.5° | 120.0° |
| O7 | C7 | C6 | 117.0° | 120.0° |
| N22 | C23 | C24 | 109.4° | 109.5° |
| C23 | N22 | H22 | 122.3° | 120.0° |
| N22 | C23 | H232 | 109.5° | 109.5° |
| N22 | C23 | H231 | 109.5° | 109.5° |
| N8 | C7 | C6 | 122.4° | 120.0° |
| C7 | N8 | H8 | 118.0° | 120.0° |
| C7 | C6 | N5 | 126.5° | 125.8° |
| C7 | C6 | N6 | 125.1° | 125.8° |
| C24 | C23 | H232 | 109.5° | 109.5° |
| C24 | C23 | H231 | 109.5° | 109.5° |
| C23 | C24 | H242 | 108.2° | 109.4° |
| C23 | C24 | H241 | 108.2° | 109.5° |
| C5 | N5 | C6 | 125.4° | 126.5° |
| C5 | N5 | C4 | 123.6° | 126.5° |
| N5 | C5 | H53 | 109.5° | 109.4° |
| N5 | C5 | H51 | 109.5° | 109.5° |
| N5 | C5 | H52 | 109.5° | 109.5° |
| N5 | C6 | N6 | 108.4° | 108.4° |
| C6 | N5 | C4 | 111.0° | 107.1° |
| C6 | N6 | C3 | 105.2° | 109.2° |
| N5 | C4 | C3 | 105.5° | 107.0° |
| N5 | C4 | H4 | 127.2° | 126.4° |
| N6 | C3 | C4 | 109.8° | 108.3° |
| N6 | C3 | N2 | 122.3° | 125.9° |
| C4 | C3 | N2 | 127.8° | 125.8° |
| C3 | C4 | H4 | 127.2° | 126.6° |
| C3 | N2 | C1' | 124.9° | 120.0° |
| C3 | N2 | H2 | 117.6° | 120.0° |
| N2 | C1' | O1' | 123.3° | 120.0° |
| N2 | C1' | C1 | 119.3° | 120.0° |
| C1' | N2 | H2 | 117.6° | 120.0° |
| O1' | C1' | C1 | 117.4° | 120.1° |
| C1' | C1 | H102 | 109.5° | 109.5° |
| C1' | C1 | H101 | 109.5° | 109.4° |
| C1' | C1 | H103 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| H102 | C1 | H101 | 109.5° | 109.4° |
| H102 | C1 | H103 | 109.4° | 109.5° |
| H101 | C1 | H103 | 109.5° | 109.5° |
| H53 | C5 | H51 | 109.5° | 109.5° |
| H53 | C5 | H52 | 109.5° | 109.5° |
| H51 | C5 | H52 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H212 | C21 | H213 | 109.4° | 109.5° |
| H211 | C21 | H213 | 109.5° | 109.4° |
| H283 | C28 | H281 | 109.5° | 109.5° |
| H283 | C28 | H282 | 109.4° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.5° | 109.4° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H291 | C29 | H293 | 109.4° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H293 | C29 | H292 | 109.5° | 109.5° |
| H273 | C27 | H272 | 109.5° | 109.5° |
| H273 | C27 | H271 | 109.5° | 109.5° |
| H272 | C27 | H271 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C20 | C28 | C17 | 122.9° | 120.0° |
| C21 | C20 | C28 | H20 | 118.9° | 120.0° |
| C21 | C20 | C17 | H20 | 119.7° | 120.0° |
| C21 | C20 | C17 | S16 | 28.1° | 65.4° |
| C21 | C20 | C17 | C18 | 152.1° | 114.6° |
| C20 | C21 | H212 | H211 | 120.0° | 120.0° |
| C20 | C21 | H212 | H213 | 120.0° | 120.0° |
| C20 | C21 | H211 | H213 | 120.0° | 120.0° |
| C21 | C20 | C28 | H283 | 180.0° | 180.0° |
| C21 | C20 | C28 | H281 | 60.0° | 60.0° |
| C21 | C20 | C28 | H282 | 60.0° | 60.0° |
| C28 | C20 | C17 | H20 | 117.9° | 120.0° |
| C28 | C20 | C17 | S16 | 94.3° | 54.6° |
| C28 | C20 | C17 | C18 | 85.5° | 125.4° |
| C28 | C20 | C21 | H212 | 180.0° | 60.1° |
| C28 | C20 | C21 | H211 | 60.0° | 180.0° |
| C28 | C20 | C21 | H213 | 60.0° | 60.0° |
| C20 | C28 | H283 | H281 | 120.0° | 120.0° |
| C20 | C28 | H283 | H282 | 120.0° | 120.0° |
| C20 | C28 | H281 | H282 | 120.0° | 120.0° |
| C20 | C17 | S16 | C18 | 179.8° | 180.0° |
| C20 | C17 | S16 | C15 | 177.1° | 180.0° |
| C20 | C17 | C18 | C22 | 0.9° | 0.0° |
| C20 | C17 | C18 | N19 | 178.5° | 179.8° |
| C17 | C20 | C21 | H212 | 58.9° | 179.9° |
| C17 | C20 | C21 | H211 | 178.9° | 60.0° |
| C17 | C20 | C21 | H213 | 61.1° | 60.0° |
| C17 | C20 | C28 | H283 | 57.1° | 60.0° |
| C17 | C20 | C28 | H281 | 62.9° | 180.0° |
| C17 | C20 | C28 | H282 | 177.1° | 60.0° |
| C11 | N11 | C10 | C12 | 175.1° | 180.0° |
| C11 | N11 | C12 | C14 | 14.3° | 0.0° |
| C11 | N11 | C10 | C9 | 171.1° | 180.0° |
| C11 | N11 | C12 | C13 | 168.4° | 180.0° |
| C11 | N11 | C10 | H10 | 8.9° | 0.0° |
| N11 | C11 | H111 | H112 | 120.0° | 120.0° |
| N11 | C11 | H111 | H113 | 120.0° | 120.0° |
| N11 | C11 | H112 | H113 | 120.0° | 120.0° |
| S16 | C17 | C18 | C22 | 178.9° | 180.0° |
| S16 | C17 | C18 | N19 | 1.7° | 0.2° |
| C17 | S16 | C15 | N14 | 176.1° | 179.9° |
| C17 | S16 | C15 | N19 | 3.8° | 0.2° |
| S16 | C17 | C20 | H20 | 147.8° | 174.6° |
| C15 | S16 | C17 | C18 | 3.0° | 0.0° |
| S16 | C15 | N14 | C14 | 1.8° | 179.7° |
| S16 | C15 | N19 | C18 | 3.4° | 0.4° |
| S16 | C15 | N14 | N19 | 179.8° | 179.7° |
| S16 | C15 | N14 | H14 | 178.3° | 0.3° |
| O12 | C14 | C12 | N11 | 22.1° | 5.3° |
| O12 | C14 | C12 | N14 | 179.1° | 180.0° |
| O12 | C14 | N14 | C15 | 3.2° | 5.2° |
| O12 | C14 | C12 | C13 | 154.7° | 174.7° |
| O12 | C14 | N14 | H14 | 176.7° | 174.8° |
| C17 | C18 | C22 | O22 | 1.8° | 5.6° |
| C17 | C18 | C22 | N19 | 179.4° | 179.8° |
| C17 | C18 | N19 | C15 | 1.1° | 0.4° |
| C17 | C18 | C22 | N22 | 178.8° | 174.4° |
| C18 | C17 | C20 | H20 | 32.4° | 5.4° |
| C10 | N11 | C12 | C14 | 170.7° | 180.0° |
| N11 | C10 | C9 | H10 | 180.0° | 179.9° |
| C10 | N11 | C12 | C13 | 6.6° | 0.0° |
| N11 | C10 | C9 | C13 | 0.1° | 0.1° |
| N11 | C10 | C9 | N8 | 177.5° | 179.7° |
| C10 | N11 | C11 | H111 | 180.0° | 85.5° |
| C10 | N11 | C11 | H112 | 60.0° | 154.5° |
| C10 | N11 | C11 | H113 | 60.0° | 34.5° |
| N11 | C12 | C14 | C13 | 176.8° | 180.0° |
| N11 | C12 | C14 | N14 | 158.9° | 174.7° |
| C12 | N11 | C10 | C9 | 4.1° | 0.0° |
| N11 | C12 | C13 | C9 | 6.5° | 0.0° |
| C12 | N11 | C10 | H10 | 175.9° | 180.0° |
| C12 | N11 | C11 | H111 | 5.8° | 94.5° |
| C12 | N11 | C11 | H112 | 114.3° | 25.5° |
| C12 | N11 | C11 | H113 | 125.8° | 145.5° |
| N11 | C12 | C13 | H13 | 173.5° | 179.7° |
| C29 | N26 | C27 | C25 | 122.7° | 120.0° |
| C29 | N26 | C27 | H26 | 117.9° | 120.0° |
| C29 | N26 | C25 | H26 | 117.7° | 120.0° |
| C29 | N26 | C25 | C24 | 179.2° | 175.0° |
| C29 | N26 | C25 | H251 | 59.7° | 55.1° |
| C29 | N26 | C25 | H252 | 58.2° | 65.0° |
| N26 | C29 | H291 | H293 | 120.0° | 119.9° |
| N26 | C29 | H291 | H292 | 120.0° | 120.0° |
| N26 | C29 | H293 | H292 | 120.0° | 119.9° |
| C29 | N26 | C27 | H273 | 180.0° | 180.0° |
| C29 | N26 | C27 | H272 | 60.0° | 60.0° |
| C29 | N26 | C27 | H271 | 60.0° | 60.0° |
| C12 | C14 | N14 | C15 | 175.8° | 174.8° |
| C14 | C12 | C13 | C9 | 170.7° | 180.0° |
| C14 | C12 | C13 | H13 | 9.3° | 0.3° |
| C12 | C14 | N14 | H14 | 4.2° | 5.2° |
| C14 | N14 | C15 | H14 | 180.0° | 180.0° |
| C14 | N14 | C15 | N19 | 178.4° | 0.1° |
| N14 | C14 | C12 | C13 | 24.3° | 5.4° |
| O22 | C22 | C18 | N22 | 179.4° | 179.9° |
| O22 | C22 | C18 | N19 | 177.6° | 174.2° |
| O22 | C22 | N22 | C23 | 3.8° | 0.0° |
| O22 | C22 | N22 | H22 | 176.2° | 179.9° |
| C22 | C18 | N19 | C15 | 178.3° | 179.8° |
| C18 | C22 | N22 | C23 | 175.6° | 180.0° |
| C18 | C22 | N22 | H22 | 4.4° | 0.0° |
| C18 | N19 | C15 | N14 | 176.4° | 179.9° |
| N19 | C18 | C22 | N22 | 1.9° | 5.8° |
| N19 | C15 | N14 | H14 | 1.5° | 180.0° |
| C10 | C9 | C13 | C12 | 4.0° | 0.0° |
| C10 | C9 | C13 | N8 | 177.6° | 179.7° |
| C10 | C9 | N8 | C7 | 24.3° | 179.8° |
| C10 | C9 | N8 | H8 | 155.6° | 0.3° |
| C10 | C9 | C13 | H13 | 176.0° | 179.7° |
| C12 | C13 | C9 | H13 | 180.0° | 179.7° |
| C12 | C13 | C9 | N8 | 173.6° | 179.7° |
| C22 | N22 | C23 | H22 | 180.0° | 180.0° |
| C22 | N22 | C23 | C24 | 92.3° | 180.0° |
| C22 | N22 | C23 | H232 | 147.7° | 60.0° |
| C22 | N22 | C23 | H231 | 27.7° | 60.0° |
| C27 | N26 | C25 | H26 | 119.4° | 120.1° |
| C27 | N26 | C25 | C24 | 57.9° | 65.0° |
| C27 | N26 | C25 | H251 | 63.1° | 175.0° |
| C27 | N26 | C25 | H252 | 179.0° | 54.9° |
| C27 | N26 | C29 | H291 | 180.0° | 60.1° |
| C27 | N26 | C29 | H293 | 60.0° | 180.0° |
| C27 | N26 | C29 | H292 | 60.0° | 60.0° |
| N26 | C27 | H273 | H272 | 120.0° | 119.9° |
| N26 | C27 | H273 | H271 | 120.0° | 120.0° |
| N26 | C27 | H272 | H271 | 119.9° | 120.0° |
| N26 | C25 | C24 | H251 | 121.1° | 120.0° |
| N26 | C25 | C24 | H252 | 121.1° | 120.0° |
| N26 | C25 | C24 | C23 | 61.9° | 180.0° |
| N26 | C25 | C24 | H242 | 58.9° | 60.0° |
| N26 | C25 | C24 | H241 | 177.4° | 60.0° |
| N26 | C25 | H251 | H252 | 116.6° | 120.1° |
| C25 | N26 | C29 | H291 | 55.7° | 180.0° |
| C25 | N26 | C29 | H293 | 64.3° | 60.0° |
| C25 | N26 | C29 | H292 | 175.7° | 59.9° |
| C25 | N26 | C27 | H273 | 57.3° | 60.1° |
| C25 | N26 | C27 | H272 | 177.4° | 180.0° |
| C25 | N26 | C27 | H271 | 62.7° | 60.0° |
| C13 | C9 | N8 | C7 | 158.6° | 0.1° |
| C13 | C9 | N8 | H8 | 21.4° | 180.0° |
| C13 | C9 | C10 | H10 | 179.9° | 180.0° |
| C9 | N8 | C7 | O7 | 6.4° | 0.0° |
| C9 | N8 | C7 | H8 | 180.0° | 179.9° |
| C9 | N8 | C7 | C6 | 173.4° | 180.0° |
| N8 | C9 | C10 | H10 | 2.5° | 0.2° |
| N8 | C9 | C13 | H13 | 6.4° | 0.0° |
| C25 | C24 | C23 | N22 | 71.9° | 180.0° |
| C25 | C24 | C23 | H242 | 120.7° | 120.0° |
| C25 | C24 | C23 | H241 | 120.8° | 120.0° |
| C25 | C24 | C23 | H232 | 168.1° | 60.0° |
| C25 | C24 | C23 | H231 | 48.1° | 60.0° |
| C25 | C24 | H242 | H241 | 117.7° | 120.0° |
| C24 | C25 | H251 | H252 | 116.6° | 120.0° |
| C24 | C25 | N26 | H26 | 61.5° | 55.0° |
| O7 | C7 | N8 | C6 | 179.8° | 179.9° |
| O7 | C7 | C6 | N5 | 7.2° | 0.0° |
| O7 | C7 | C6 | N6 | 173.3° | 180.0° |
| O7 | C7 | N8 | H8 | 173.6° | 180.0° |
| N22 | C23 | C24 | H232 | 120.0° | 120.0° |
| N22 | C23 | C24 | H231 | 120.0° | 120.0° |
| N22 | C23 | H232 | H231 | 120.0° | 120.0° |
| N22 | C23 | C24 | H242 | 167.4° | 60.0° |
| N22 | C23 | C24 | H241 | 48.9° | 60.0° |
| N8 | C7 | C6 | N5 | 172.6° | 180.0° |
| N8 | C7 | C6 | N6 | 6.9° | 0.1° |
| C7 | C6 | N5 | C5 | 0.4° | 0.1° |
| C7 | C6 | N5 | N6 | 179.5° | 180.0° |
| C7 | C6 | N5 | C4 | 179.9° | 180.0° |
| C7 | C6 | N6 | C3 | 178.6° | 179.9° |
| C6 | C7 | N8 | H8 | 6.6° | 0.1° |
| C24 | C23 | N22 | H22 | 87.7° | 0.0° |
| C24 | C23 | H232 | H231 | 120.0° | 120.0° |
| C23 | C24 | H242 | H241 | 117.7° | 120.0° |
| C23 | C24 | C25 | H251 | 177.1° | 60.0° |
| C23 | C24 | C25 | H252 | 59.2° | 60.0° |
| C5 | N5 | C6 | C4 | 179.5° | 179.9° |
| C5 | N5 | C6 | N6 | 179.9° | 179.9° |
| C5 | N5 | C4 | C3 | 178.6° | 180.0° |
| C5 | N5 | C4 | H4 | 1.4° | 0.4° |
| N5 | C5 | H53 | H51 | 120.0° | 120.0° |
| N5 | C5 | H53 | H52 | 120.0° | 120.0° |
| N5 | C5 | H51 | H52 | 120.0° | 120.0° |
| N5 | C6 | N6 | C3 | 1.8° | 0.0° |
| C6 | N5 | C4 | C3 | 0.9° | 0.0° |
| C6 | N5 | C4 | H4 | 179.0° | 179.7° |
| C6 | N5 | C5 | H53 | 180.0° | 90.0° |
| C6 | N5 | C5 | H51 | 60.0° | 30.0° |
| C6 | N5 | C5 | H52 | 60.0° | 150.0° |
| N6 | C6 | N5 | C4 | 0.6° | 0.0° |
| C6 | N6 | C3 | C4 | 2.5° | 0.1° |
| C6 | N6 | C3 | N2 | 176.7° | 179.7° |
| N5 | C4 | C3 | N6 | 2.1° | 0.1° |
| N5 | C4 | C3 | H4 | 180.0° | 179.7° |
| N5 | C4 | C3 | N2 | 177.0° | 179.7° |
| C4 | N5 | C5 | H53 | 0.5° | 90.1° |
| C4 | N5 | C5 | H51 | 120.5° | 149.9° |
| C4 | N5 | C5 | H52 | 119.5° | 29.9° |
| N6 | C3 | C4 | N2 | 179.1° | 179.8° |
| N6 | C3 | N2 | C1' | 179.7° | 179.7° |
| N6 | C3 | N2 | H2 | 0.3° | 0.0° |
| N6 | C3 | C4 | H4 | 177.8° | 179.7° |
| C4 | C3 | N2 | C1' | 1.2° | 0.0° |
| C4 | C3 | N2 | H2 | 178.8° | 179.8° |
| C3 | N2 | C1' | H2 | 180.0° | 179.8° |
| C3 | N2 | C1' | O1' | 1.6° | 0.2° |
| C3 | N2 | C1' | C1 | 177.2° | 179.7° |
| N2 | C3 | C4 | H4 | 3.0° | 0.1° |
| N2 | C1' | O1' | C1 | 178.8° | 180.0° |
| N2 | C1' | C1 | H102 | 178.9° | 60.0° |
| N2 | C1' | C1 | H101 | 58.9° | 180.0° |
| N2 | C1' | C1 | H103 | 61.2° | 60.0° |
| O1' | C1' | N2 | H2 | 178.4° | 180.0° |
| O1' | C1' | C1 | H102 | 0.0° | 120.0° |
| O1' | C1' | C1 | H101 | 120.0° | 0.0° |
| O1' | C1' | C1 | H103 | 120.0° | 120.0° |
| C1 | C1' | N2 | H2 | 2.8° | 0.0° |
| C1' | C1 | H102 | H101 | 120.0° | 119.9° |
| C1' | C1 | H102 | H103 | 120.0° | 120.1° |
| C1' | C1 | H101 | H103 | 120.0° | 120.0° |
| H111 | C11 | H112 | H113 | 120.0° | 120.1° |
| H102 | C1 | H101 | H103 | 120.0° | 120.0° |
| H53 | C5 | H51 | H52 | 120.0° | 120.1° |
| H20 | C20 | C21 | H212 | 61.1° | 60.0° |
| H20 | C20 | C21 | H211 | 58.9° | 60.0° |
| H20 | C20 | C21 | H213 | 178.9° | 180.0° |
| H20 | C20 | C28 | H283 | 61.1° | 60.0° |
| H20 | C20 | C28 | H281 | 178.9° | 60.0° |
| H20 | C20 | C28 | H282 | 58.9° | 180.0° |
| H212 | C21 | H211 | H213 | 119.9° | 120.1° |
| H283 | C28 | H281 | H282 | 120.0° | 120.0° |
| H22 | N22 | C23 | H232 | 32.3° | 120.1° |
| H22 | N22 | C23 | H231 | 152.3° | 120.0° |
| H232 | C23 | C24 | H242 | 47.4° | 180.0° |
| H232 | C23 | C24 | H241 | 71.1° | 60.0° |
| H231 | C23 | C24 | H242 | 72.6° | 60.0° |
| H231 | C23 | C24 | H241 | 168.9° | 180.0° |
| H242 | C24 | C25 | H251 | 62.2° | 179.9° |
| H242 | C24 | C25 | H252 | 180.0° | 60.0° |
| H241 | C24 | C25 | H251 | 56.3° | 60.0° |
| H241 | C24 | C25 | H252 | 61.5° | 180.0° |
| H251 | C25 | N26 | H26 | 177.4° | 64.9° |
| H252 | C25 | N26 | H26 | 59.6° | 175.0° |
| H291 | C29 | H293 | H292 | 120.0° | 120.1° |
| H291 | C29 | N26 | H26 | 62.0° | 59.9° |
| H293 | C29 | N26 | H26 | 178.0° | 60.0° |
| H292 | C29 | N26 | H26 | 58.0° | 180.0° |
| H273 | C27 | H272 | H271 | 120.0° | 120.1° |
| H273 | C27 | N26 | H26 | 62.1° | 60.0° |
| H272 | C27 | N26 | H26 | 58.0° | 60.0° |
| H271 | C27 | N26 | H26 | 177.9° | 180.0° |
