AI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | N4 | sing | 1.47Å | 1.43Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C14 | C22 | sing | 1.53Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C11 | C10 | sing | 1.53Å | 1.49Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C7 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | N1 | sing | 1.46Å | 1.43Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.50Å | |
| C9 | C13 | sing | 1.51Å | 1.50Å | |
| C9 | N3 | sing | 1.46Å | 1.42Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | C12 | sing | 1.53Å | 1.47Å | |
| C10 | H10 | 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 | O2 | doub | 1.21Å | 1.17Å | |
| C13 | N4 | sing | 1.35Å | 1.30Å | |
| N1 | C1 | sing | 1.35Å | 1.37Å | |
| N1 | C2 | sing | 1.46Å | 1.41Å | |
| N2 | C3 | sing | 1.32Å | 1.35Å | Aromatic |
| C3 | C2 | sing | 1.51Å | 1.45Å | |
| N3 | C1 | sing | 1.35Å | 1.31Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| O1 | C1 | doub | 1.22Å | 1.16Å | |
| C2 | H21A | sing | 1.09Å | 1.10Å | |
| C2 | H22A | sing | 1.09Å | 1.10Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C15 | C16 | sing | 1.53Å | 1.50Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.40Å | Aromatic |
| C16 | C21 | doub | 1.53Å | 1.38Å | Aromatic |
| C17 | C18 | doub | 1.53Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.09Å | 1.08Å | |
| C18 | C19 | sing | 1.53Å | 1.36Å | Aromatic |
| C18 | H18 | sing | 1.09Å | 1.08Å | |
| C19 | C20 | doub | 1.53Å | 1.37Å | Aromatic |
| C19 | H19 | sing | 1.09Å | 1.08Å | |
| C20 | C21 | sing | 1.53Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.09Å | 1.08Å | |
| C21 | H21 | sing | 1.09Å | 1.08Å | |
| C22 | O3 | sing | 1.43Å | 1.38Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C23 | O4 | sing | 1.43Å | 1.38Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | N5 | sing | 1.46Å | 1.45Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.51Å | 1.51Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | C27 | sing | 1.38Å | 1.49Å | |
| C26 | C31 | sing | 1.38Å | 1.47Å | |
| C26 | H26 | sing | 3.05Å | 1.10Å | |
| C27 | C28 | sing | 1.38Å | 1.52Å | |
| C27 | H271 | sing | 4.16Å | 1.10Å | |
| C27 | H272 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | sing | 1.38Å | 1.49Å | |
| C28 | H281 | sing | 4.72Å | 1.10Å | |
| C28 | H282 | sing | 1.08Å | 1.10Å | |
| C29 | C30 | sing | 1.38Å | 1.49Å | |
| C29 | H291 | sing | 4.40Å | 1.10Å | |
| C29 | H292 | sing | 1.08Å | 1.10Å | |
| C30 | C31 | sing | 1.38Å | 1.50Å | |
| C30 | H301 | sing | 3.38Å | 1.10Å | |
| C30 | H302 | sing | 1.08Å | 1.10Å | |
| C31 | H311 | sing | 2.53Å | 1.10Å | |
| C31 | H312 | sing | 1.08Å | 1.10Å | |
| N5 | C32 | sing | 1.35Å | 1.32Å | |
| N5 | HN5 | sing | 0.97Å | 1.00Å | |
| C32 | O5 | doub | 1.21Å | 1.16Å | |
| C32 | C33 | sing | 1.51Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.49Å | |
| C33 | N6 | sing | 1.46Å | 1.42Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | C35 | sing | 1.53Å | 1.49Å | |
| C34 | C36 | sing | 1.53Å | 1.50Å | |
| C34 | H34 | 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 | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| N6 | C37 | sing | 1.35Å | 1.30Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| C37 | O6 | doub | 1.22Å | 1.16Å | |
| C37 | N7 | sing | 1.35Å | 1.33Å | |
| N7 | C38 | sing | 1.47Å | 1.44Å | |
| N7 | C39 | sing | 1.46Å | 1.43Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H383 | sing | 1.09Å | 1.10Å | |
| C39 | C40 | sing | 1.51Å | 1.43Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C40 | C41 | sing | 1.38Å | 1.37Å | Aromatic |
| C40 | N8 | doub | 1.32Å | 1.37Å | Aromatic |
| C41 | C44 | doub | 1.39Å | 1.40Å | Aromatic |
| C41 | H41 | sing | 1.08Å | 1.08Å | |
| N8 | C42 | sing | 1.32Å | 1.34Å | Aromatic |
| C42 | C43 | doub | 1.38Å | 1.40Å | Aromatic |
| C42 | H42 | sing | 1.08Å | 1.08Å | |
| C43 | C44 | sing | 1.39Å | 1.40Å | Aromatic |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C44 | H44 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C4 | N2 | 120.7° | 120.8° |
| C5 | C4 | H4 | 119.6° | 119.6° |
| C4 | C5 | C6 | 118.7° | 119.2° |
| C4 | C5 | H5 | 120.6° | 120.4° |
| N2 | C4 | H4 | 119.6° | 119.6° |
| C4 | N2 | C3 | 121.7° | 121.7° |
| N4 | C14 | C15 | 107.0° | 109.4° |
| N4 | C14 | C22 | 112.2° | 109.5° |
| N4 | C14 | H14 | 109.7° | 109.5° |
| C14 | N4 | C13 | 127.1° | 120.0° |
| C14 | N4 | HN4 | 116.5° | 120.0° |
| C15 | C14 | C22 | 110.6° | 109.5° |
| C15 | C14 | H14 | 111.4° | 109.5° |
| C14 | C15 | C16 | 122.5° | 109.5° |
| C14 | C15 | H151 | 102.2° | 109.5° |
| C14 | C15 | H152 | 105.3° | 109.5° |
| C22 | C14 | H14 | 106.0° | 109.5° |
| C14 | C22 | O3 | 112.5° | 109.4° |
| C14 | C22 | C23 | 114.3° | 109.5° |
| C14 | C22 | H22 | 103.9° | 109.4° |
| C6 | C5 | H5 | 120.6° | 120.4° |
| C5 | C6 | C7 | 119.7° | 118.4° |
| C5 | C6 | H6 | 120.1° | 120.8° |
| C7 | C6 | H6 | 120.2° | 120.8° |
| C6 | C7 | C3 | 118.0° | 119.1° |
| C6 | C7 | H7 | 121.0° | 120.4° |
| C10 | C11 | H111 | 109.5° | 109.4° |
| C10 | C11 | H112 | 109.5° | 109.5° |
| C10 | C11 | H113 | 109.5° | 109.5° |
| C11 | C10 | C9 | 111.3° | 109.4° |
| C11 | C10 | C12 | 101.5° | 109.5° |
| C11 | C10 | H10 | 116.2° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.4° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| C3 | C7 | H7 | 121.0° | 120.5° |
| C7 | C3 | N2 | 121.2° | 120.8° |
| C7 | C3 | C2 | 119.5° | 119.6° |
| N1 | C8 | H81 | 109.5° | 109.5° |
| N1 | C8 | H82 | 109.4° | 109.5° |
| N1 | C8 | H83 | 109.5° | 109.5° |
| C8 | N1 | C1 | 128.9° | 120.0° |
| C8 | N1 | C2 | 111.3° | 120.0° |
| H81 | C8 | H82 | 109.5° | 109.5° |
| H81 | C8 | H83 | 109.4° | 109.5° |
| H82 | C8 | H83 | 109.5° | 109.4° |
| C10 | C9 | C13 | 111.1° | 109.5° |
| C10 | C9 | N3 | 111.3° | 109.5° |
| C10 | C9 | H9 | 106.3° | 109.4° |
| C9 | C10 | C12 | 116.5° | 109.5° |
| C9 | C10 | H10 | 101.1° | 109.5° |
| C13 | C9 | N3 | 106.8° | 109.5° |
| C13 | C9 | H9 | 110.8° | 109.5° |
| C9 | C13 | O2 | 121.6° | 120.0° |
| C9 | C13 | N4 | 113.2° | 120.0° |
| N3 | C9 | H9 | 110.6° | 109.4° |
| C9 | N3 | C1 | 123.4° | 120.0° |
| C9 | N3 | HN3 | 118.2° | 120.0° |
| C12 | C10 | H10 | 111.0° | 109.5° |
| C10 | C12 | H121 | 109.4° | 109.5° |
| C10 | C12 | H122 | 109.5° | 109.5° |
| C10 | C12 | H123 | 109.5° | 109.4° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H121 | C12 | H123 | 109.4° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| O2 | C13 | N4 | 125.2° | 120.0° |
| C13 | N4 | HN4 | 116.4° | 120.0° |
| C1 | N1 | C2 | 119.9° | 119.9° |
| N1 | C1 | N3 | 118.5° | 120.0° |
| N1 | C1 | O1 | 121.1° | 120.0° |
| N1 | C2 | C3 | 119.3° | 109.5° |
| N1 | C2 | H21A | 104.0° | 109.5° |
| N1 | C2 | H22A | 106.3° | 109.5° |
| N2 | C3 | C2 | 119.3° | 119.6° |
| C3 | C2 | H21A | 104.0° | 109.4° |
| C3 | C2 | H22A | 106.3° | 109.4° |
| C1 | N3 | HN3 | 118.3° | 120.0° |
| N3 | C1 | O1 | 120.4° | 120.0° |
| H21A | C2 | H22A | 117.5° | 109.4° |
| C16 | C15 | H151 | 102.3° | 109.4° |
| C16 | C15 | H152 | 105.3° | 109.4° |
| C15 | C16 | C17 | 120.1° | 109.5° |
| C15 | C16 | C21 | 122.3° | 109.5° |
| H151 | C15 | H152 | 120.4° | 109.5° |
| C17 | C16 | C21 | 117.5° | 109.5° |
| C16 | C17 | C18 | 120.5° | 109.5° |
| C16 | C17 | H17 | 119.8° | 109.4° |
| C16 | C21 | C20 | 122.2° | 109.5° |
| C16 | C21 | H21 | 118.9° | 109.5° |
| C18 | C17 | H17 | 119.7° | 109.5° |
| C17 | C18 | C19 | 120.0° | 109.5° |
| C17 | C18 | H18 | 120.0° | 109.5° |
| C19 | C18 | H18 | 120.0° | 109.5° |
| C18 | C19 | C20 | 121.1° | 109.5° |
| C18 | C19 | H19 | 119.5° | 109.5° |
| C20 | C19 | H19 | 119.4° | 109.4° |
| C19 | C20 | C21 | 118.7° | 109.5° |
| C19 | C20 | H20 | 120.6° | 109.5° |
| C21 | C20 | H20 | 120.6° | 109.5° |
| C20 | C21 | H21 | 118.9° | 109.5° |
| O3 | C22 | C23 | 109.8° | 109.5° |
| O3 | C22 | H22 | 109.0° | 109.5° |
| C22 | O3 | HO3 | 109.5° | 106.8° |
| C23 | C22 | H22 | 106.9° | 109.5° |
| C22 | C23 | O4 | 109.2° | 109.5° |
| C22 | C23 | C24 | 116.4° | 109.5° |
| C22 | C23 | H23 | 103.8° | 109.5° |
| O4 | C23 | C24 | 105.9° | 109.4° |
| O4 | C23 | H23 | 114.7° | 109.5° |
| C23 | O4 | HO4 | 109.5° | 106.8° |
| C24 | C23 | H23 | 107.1° | 109.4° |
| C23 | C24 | C25 | 115.6° | 109.5° |
| C23 | C24 | N5 | 112.6° | 109.5° |
| C23 | C24 | H24 | 101.7° | 109.5° |
| C25 | C24 | N5 | 106.0° | 109.4° |
| C25 | C24 | H24 | 108.9° | 109.5° |
| C24 | C25 | C26 | 114.2° | 109.5° |
| C24 | C25 | H251 | 106.9° | 109.5° |
| C24 | C25 | H252 | 107.9° | 109.5° |
| N5 | C24 | H24 | 112.1° | 109.5° |
| C24 | N5 | C32 | 128.7° | 120.0° |
| C24 | N5 | HN5 | 115.6° | 120.0° |
| C26 | C25 | H251 | 106.9° | 109.5° |
| C26 | C25 | H252 | 107.9° | 109.4° |
| C25 | C26 | C27 | 114.3° | 120.0° |
| C25 | C26 | C31 | 109.1° | 120.0° |
| C25 | C26 | H26 | 108.0° | 81.8° |
| H251 | C25 | H252 | 113.2° | 109.4° |
| C27 | C26 | C31 | 113.8° | 120.0° |
| C27 | C26 | H26 | 102.6° | 136.0° |
| C26 | C27 | C28 | 116.0° | 120.0° |
| C26 | C27 | H271 | 105.8° | 30.7° |
| C26 | C27 | H272 | 107.3° | 120.0° |
| C31 | C26 | H26 | 108.5° | 55.0° |
| C26 | C31 | C30 | 119.6° | 120.0° |
| C26 | C31 | H311 | 103.9° | 98.4° |
| C26 | C31 | H312 | 106.2° | 120.0° |
| C28 | C27 | H271 | 105.8° | 105.7° |
| C28 | C27 | H272 | 107.4° | 120.0° |
| C27 | C28 | C29 | 114.1° | 120.0° |
| C27 | C28 | H281 | 106.9° | 58.0° |
| C27 | C28 | H282 | 108.0° | 120.0° |
| H271 | C27 | H272 | 114.8° | 126.1° |
| C29 | C28 | H281 | 106.9° | 68.2° |
| C29 | C28 | H282 | 108.0° | 120.0° |
| C28 | C29 | C30 | 112.9° | 120.0° |
| C28 | C29 | H291 | 107.5° | 94.9° |
| C28 | C29 | H292 | 108.3° | 120.0° |
| H281 | C28 | H282 | 113.2° | 154.6° |
| C30 | C29 | H291 | 107.5° | 35.7° |
| C30 | C29 | H292 | 108.4° | 120.0° |
| C29 | C30 | C31 | 112.6° | 120.0° |
| C29 | C30 | H301 | 107.7° | 130.5° |
| C29 | C30 | H302 | 108.5° | 120.0° |
| H291 | C29 | H292 | 112.2° | 136.6° |
| C31 | C30 | H301 | 107.7° | 42.2° |
| C31 | C30 | H302 | 108.5° | 120.0° |
| C30 | C31 | H311 | 103.9° | 116.3° |
| C30 | C31 | H312 | 106.3° | 120.0° |
| H301 | C30 | H302 | 111.9° | 95.3° |
| H311 | C31 | H312 | 117.8° | 53.6° |
| C32 | N5 | HN5 | 115.6° | 120.0° |
| N5 | C32 | O5 | 123.7° | 120.0° |
| N5 | C32 | C33 | 114.5° | 120.1° |
| O5 | C32 | C33 | 121.8° | 120.0° |
| C32 | C33 | C34 | 112.5° | 109.5° |
| C32 | C33 | N6 | 107.3° | 109.5° |
| C32 | C33 | H33 | 109.8° | 109.4° |
| C34 | C33 | N6 | 111.8° | 109.5° |
| C34 | C33 | H33 | 105.0° | 109.5° |
| C33 | C34 | C35 | 116.0° | 109.5° |
| C33 | C34 | C36 | 109.0° | 109.5° |
| C33 | C34 | H34 | 103.7° | 109.4° |
| N6 | C33 | H33 | 110.5° | 109.5° |
| C33 | N6 | C37 | 123.5° | 120.0° |
| C33 | N6 | HN6 | 118.3° | 120.0° |
| C35 | C34 | C36 | 104.0° | 109.5° |
| C35 | C34 | H34 | 108.8° | 109.5° |
| C34 | C35 | H351 | 109.5° | 109.5° |
| C34 | C35 | H352 | 109.4° | 109.5° |
| C34 | C35 | H353 | 109.5° | 109.5° |
| C36 | C34 | H34 | 115.9° | 109.5° |
| C34 | C36 | H361 | 109.5° | 109.5° |
| C34 | C36 | H362 | 109.4° | 109.5° |
| C34 | C36 | H363 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H351 | C35 | H353 | 109.5° | 109.5° |
| H352 | C35 | H353 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H361 | C36 | H363 | 109.4° | 109.5° |
| H362 | C36 | H363 | 109.5° | 109.5° |
| C37 | N6 | HN6 | 118.2° | 120.0° |
| N6 | C37 | O6 | 122.7° | 120.0° |
| N6 | C37 | N7 | 116.9° | 120.0° |
| O6 | C37 | N7 | 120.3° | 120.0° |
| C37 | N7 | C38 | 127.9° | 119.9° |
| C37 | N7 | C39 | 122.9° | 120.0° |
| C38 | N7 | C39 | 109.2° | 120.0° |
| N7 | C38 | H381 | 109.5° | 109.5° |
| N7 | C38 | H382 | 109.5° | 109.4° |
| N7 | C38 | H383 | 109.5° | 109.5° |
| N7 | C39 | C40 | 117.1° | 109.5° |
| N7 | C39 | H391 | 105.2° | 109.5° |
| N7 | C39 | H392 | 107.0° | 109.4° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H381 | C38 | H383 | 109.5° | 109.5° |
| H382 | C38 | H383 | 109.4° | 109.5° |
| C40 | C39 | H391 | 105.2° | 109.5° |
| C40 | C39 | H392 | 107.0° | 109.5° |
| C39 | C40 | C41 | 119.7° | 119.6° |
| C39 | C40 | N8 | 118.3° | 119.6° |
| H391 | C39 | H392 | 115.7° | 109.5° |
| C41 | C40 | N8 | 122.0° | 120.8° |
| C40 | C41 | C44 | 116.7° | 119.1° |
| C40 | C41 | H41 | 121.7° | 120.4° |
| C40 | N8 | C42 | 122.1° | 121.7° |
| C44 | C41 | H41 | 121.7° | 120.5° |
| C41 | C44 | C43 | 121.2° | 118.4° |
| C41 | C44 | H44 | 119.4° | 120.8° |
| N8 | C42 | C43 | 118.9° | 120.8° |
| N8 | C42 | H42 | 120.6° | 119.6° |
| C43 | C42 | H42 | 120.6° | 119.6° |
| C42 | C43 | C44 | 119.2° | 119.2° |
| C42 | C43 | H43 | 120.4° | 120.4° |
| C44 | C43 | H43 | 120.4° | 120.4° |
| C43 | C44 | H44 | 119.4° | 120.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C4 | N2 | H4 | 180.0° | 179.8° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.0° |
| C4 | C5 | C6 | H6 | 179.8° | 180.0° |
| C5 | C4 | N2 | C3 | 0.2° | 0.5° |
| N2 | C4 | C5 | C6 | 0.2° | 0.3° |
| N2 | C4 | C5 | H5 | 179.8° | 179.8° |
| C4 | N2 | C3 | C7 | 0.1° | 0.5° |
| C4 | N2 | C3 | C2 | 179.7° | 179.7° |
| H4 | C4 | C5 | C6 | 179.8° | 180.0° |
| H4 | C4 | C5 | H5 | 0.2° | 0.0° |
| H4 | C4 | N2 | C3 | 179.8° | 179.7° |
| N4 | C14 | C15 | C22 | 122.5° | 120.0° |
| N4 | C14 | C15 | H14 | 119.9° | 120.0° |
| N4 | C14 | C22 | H14 | 119.8° | 120.0° |
| C14 | N4 | C13 | C9 | 179.5° | 175.8° |
| C14 | N4 | C13 | O2 | 0.5° | 4.2° |
| C14 | N4 | C13 | HN4 | 180.0° | 180.0° |
| N4 | C14 | C15 | C16 | 58.1° | 67.2° |
| N4 | C14 | C15 | H151 | 171.4° | 52.8° |
| N4 | C14 | C15 | H152 | 62.0° | 172.8° |
| N4 | C14 | C22 | O3 | 76.4° | 61.1° |
| N4 | C14 | C22 | C23 | 157.5° | 178.9° |
| N4 | C14 | C22 | H22 | 41.3° | 58.9° |
| C15 | C14 | C22 | H14 | 120.9° | 120.0° |
| C15 | C14 | N4 | C13 | 112.5° | 85.0° |
| C15 | C14 | N4 | HN4 | 67.6° | 95.0° |
| C14 | C15 | C16 | H151 | 113.3° | 120.0° |
| C14 | C15 | C16 | H152 | 120.0° | 120.0° |
| C14 | C15 | H151 | H152 | 116.2° | 120.0° |
| C14 | C15 | C16 | C17 | 117.5° | 175.0° |
| C14 | C15 | C16 | C21 | 62.4° | 64.9° |
| C15 | C14 | C22 | O3 | 42.9° | 58.8° |
| C15 | C14 | C22 | C23 | 83.2° | 61.1° |
| C15 | C14 | C22 | H22 | 160.7° | 178.8° |
| C22 | C14 | N4 | C13 | 126.1° | 155.0° |
| C22 | C14 | N4 | HN4 | 53.9° | 25.0° |
| C22 | C14 | C15 | C16 | 179.5° | 172.8° |
| C22 | C14 | C15 | H151 | 66.1° | 67.2° |
| C22 | C14 | C15 | H152 | 60.5° | 52.9° |
| C14 | C22 | O3 | C23 | 128.5° | 120.0° |
| C14 | C22 | O3 | H22 | 114.6° | 119.9° |
| C14 | C22 | C23 | H22 | 114.4° | 120.0° |
| C14 | C22 | O3 | HO3 | 107.8° | 60.0° |
| C14 | C22 | C23 | O4 | 177.4° | 178.7° |
| C14 | C22 | C23 | C24 | 62.8° | 58.8° |
| C14 | C22 | C23 | H23 | 54.7° | 61.2° |
| H14 | C14 | N4 | C13 | 8.5° | 34.9° |
| H14 | C14 | N4 | HN4 | 171.5° | 145.0° |
| H14 | C14 | C15 | C16 | 61.8° | 52.8° |
| H14 | C14 | C15 | H151 | 51.5° | 172.8° |
| H14 | C14 | C15 | H152 | 178.2° | 67.2° |
| H14 | C14 | C22 | O3 | 163.8° | 178.9° |
| H14 | C14 | C22 | C23 | 37.7° | 58.9° |
| H14 | C14 | C22 | H22 | 78.4° | 61.2° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C3 | 0.1° | 0.0° |
| C5 | C6 | C7 | H7 | 179.9° | 180.0° |
| H5 | C5 | C6 | C7 | 179.8° | 180.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.0° |
| C6 | C7 | C3 | H7 | 180.0° | 179.9° |
| C6 | C7 | C3 | N2 | 0.0° | 0.2° |
| C6 | C7 | C3 | C2 | 179.6° | 180.0° |
| H6 | C6 | C7 | C3 | 179.9° | 180.0° |
| H6 | C6 | C7 | H7 | 0.1° | 0.0° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H113 | 120.0° | 120.0° |
| C10 | C11 | H112 | H113 | 120.0° | 120.0° |
| C11 | C10 | C9 | C12 | 115.7° | 120.0° |
| C11 | C10 | C9 | H10 | 124.0° | 120.0° |
| C11 | C10 | C9 | C13 | 63.2° | 177.8° |
| C11 | C10 | C9 | N3 | 177.9° | 57.7° |
| C11 | C10 | C9 | H9 | 57.4° | 62.2° |
| C11 | C10 | C12 | H10 | 124.1° | 120.0° |
| C11 | C10 | C12 | H121 | 22.9° | 60.0° |
| C11 | C10 | C12 | H122 | 142.9° | 180.0° |
| C11 | C10 | C12 | H123 | 97.1° | 60.0° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
| H111 | C11 | C10 | C9 | 174.3° | 176.1° |
| H111 | C11 | C10 | C12 | 61.1° | 56.2° |
| H111 | C11 | C10 | H10 | 59.4° | 63.9° |
| H112 | C11 | C10 | C9 | 65.7° | 63.8° |
| H112 | C11 | C10 | C12 | 58.9° | 176.2° |
| H112 | C11 | C10 | H10 | 179.4° | 56.1° |
| H113 | C11 | C10 | C9 | 54.3° | 56.2° |
| H113 | C11 | C10 | C12 | 178.9° | 63.8° |
| H113 | C11 | C10 | H10 | 60.6° | 176.2° |
| C7 | C3 | C2 | N1 | 99.8° | 94.9° |
| C7 | C3 | N2 | C2 | 179.6° | 179.8° |
| C7 | C3 | C2 | H21A | 144.9° | 25.1° |
| C7 | C3 | C2 | H22A | 20.2° | 145.0° |
| H7 | C7 | C3 | N2 | 180.0° | 179.7° |
| H7 | C7 | C3 | C2 | 0.4° | 0.0° |
| N1 | C8 | H81 | H82 | 120.0° | 120.0° |
| N1 | C8 | H81 | H83 | 120.0° | 120.0° |
| N1 | C8 | H82 | H83 | 120.0° | 120.0° |
| C8 | N1 | C1 | C2 | 179.9° | 180.0° |
| C8 | N1 | C2 | C3 | 92.4° | 90.0° |
| C8 | N1 | C1 | N3 | 0.2° | 175.1° |
| C8 | N1 | C1 | O1 | 180.0° | 4.9° |
| C8 | N1 | C2 | H21A | 152.3° | 30.0° |
| C8 | N1 | C2 | H22A | 27.5° | 150.0° |
| H81 | C8 | H82 | H83 | 120.0° | 120.0° |
| H81 | C8 | N1 | C1 | 3.5° | 5.1° |
| H81 | C8 | N1 | C2 | 176.6° | 175.0° |
| H82 | C8 | N1 | C1 | 123.5° | 125.1° |
| H82 | C8 | N1 | C2 | 56.6° | 54.9° |
| H83 | C8 | N1 | C1 | 116.4° | 115.0° |
| H83 | C8 | N1 | C2 | 63.4° | 65.0° |
| C10 | C9 | C13 | N3 | 121.5° | 120.0° |
| C10 | C9 | C13 | H9 | 117.9° | 120.0° |
| C10 | C9 | N3 | H9 | 117.9° | 120.0° |
| C9 | C10 | C12 | H10 | 114.9° | 120.0° |
| C9 | C10 | C12 | H121 | 144.0° | 60.0° |
| C9 | C10 | C12 | H122 | 96.0° | 60.0° |
| C9 | C10 | C12 | H123 | 24.0° | 180.0° |
| C10 | C9 | C13 | O2 | 38.2° | 122.4° |
| C10 | C9 | C13 | N4 | 141.8° | 57.5° |
| C10 | C9 | N3 | C1 | 124.9° | 85.0° |
| C10 | C9 | N3 | HN3 | 55.1° | 95.0° |
| C13 | C9 | N3 | H9 | 120.7° | 120.0° |
| C13 | C9 | C10 | C12 | 178.8° | 57.8° |
| C13 | C9 | C10 | H10 | 60.8° | 62.2° |
| C9 | C13 | O2 | N4 | 179.9° | 180.0° |
| C13 | C9 | N3 | C1 | 113.7° | 155.0° |
| C13 | C9 | N3 | HN3 | 66.3° | 25.0° |
| C9 | C13 | N4 | HN4 | 0.5° | 4.3° |
| N3 | C9 | C10 | C12 | 62.3° | 62.3° |
| N3 | C9 | C10 | H10 | 58.1° | 177.7° |
| N3 | C9 | C13 | O2 | 83.3° | 2.4° |
| N3 | C9 | C13 | N4 | 96.7° | 177.6° |
| C9 | N3 | C1 | N1 | 179.4° | 176.4° |
| C9 | N3 | C1 | HN3 | 180.0° | 180.0° |
| C9 | N3 | C1 | O1 | 0.4° | 3.6° |
| H9 | C9 | C10 | C12 | 58.2° | 177.8° |
| H9 | C9 | C10 | H10 | 178.6° | 57.7° |
| H9 | C9 | C13 | O2 | 156.1° | 117.6° |
| H9 | C9 | C13 | N4 | 23.8° | 62.4° |
| H9 | C9 | N3 | C1 | 7.0° | 35.0° |
| H9 | C9 | N3 | HN3 | 173.0° | 145.0° |
| C10 | C12 | H121 | H122 | 120.0° | 120.0° |
| C10 | C12 | H121 | H123 | 120.0° | 119.9° |
| C10 | C12 | H122 | H123 | 120.1° | 119.9° |
| H10 | C10 | C12 | H121 | 101.1° | 180.0° |
| H10 | C10 | C12 | H122 | 18.9° | 60.0° |
| H10 | C10 | C12 | H123 | 138.9° | 60.0° |
| H121 | C12 | H122 | H123 | 120.0° | 120.0° |
| O2 | C13 | N4 | HN4 | 179.6° | 175.7° |
| C1 | N1 | C2 | C3 | 87.7° | 90.0° |
| N1 | C1 | N3 | O1 | 179.9° | 180.0° |
| N1 | C1 | N3 | HN3 | 0.6° | 3.6° |
| C1 | N1 | C2 | H21A | 27.6° | 150.0° |
| C1 | N1 | C2 | H22A | 152.3° | 30.0° |
| N1 | C2 | C3 | N2 | 79.8° | 85.3° |
| N1 | C2 | C3 | H21A | 115.3° | 120.0° |
| N1 | C2 | C3 | H22A | 120.0° | 120.1° |
| C2 | N1 | C1 | N3 | 180.0° | 4.9° |
| C2 | N1 | C1 | O1 | 0.1° | 175.1° |
| N1 | C2 | H21A | H22A | 117.2° | 120.1° |
| N2 | C3 | C2 | H21A | 35.5° | 154.7° |
| N2 | C3 | C2 | H22A | 160.2° | 34.8° |
| C3 | C2 | H21A | H22A | 117.2° | 119.9° |
| HN3 | N3 | C1 | O1 | 179.6° | 176.4° |
| C16 | C15 | H151 | H152 | 116.2° | 119.9° |
| C15 | C16 | C17 | C21 | 179.9° | 120.0° |
| C15 | C16 | C17 | C18 | 179.9° | 180.0° |
| C15 | C16 | C17 | H17 | 0.1° | 60.0° |
| C15 | C16 | C21 | C20 | 179.9° | NaN° |
| C15 | C16 | C21 | H21 | 0.1° | 59.9° |
| H151 | C15 | C16 | C17 | 129.2° | 55.0° |
| H151 | C15 | C16 | C21 | 50.9° | 175.0° |
| H152 | C15 | C16 | C17 | 2.5° | 65.0° |
| H152 | C15 | C16 | C21 | 177.5° | 55.0° |
| C16 | C17 | C18 | H17 | 180.0° | 120.0° |
| C16 | C17 | C18 | C19 | 0.2° | 60.0° |
| C16 | C17 | C18 | H18 | 179.8° | 180.0° |
| C17 | C16 | C21 | C20 | 0.2° | 59.9° |
| C17 | C16 | C21 | H21 | 179.9° | 180.0° |
| C21 | C16 | C17 | C18 | 0.2° | 60.0° |
| C21 | C16 | C17 | H17 | 179.8° | 60.0° |
| C16 | C21 | C20 | C19 | 0.2° | 59.9° |
| C16 | C21 | C20 | H21 | 180.0° | 120.1° |
| C16 | C21 | C20 | H20 | 179.8° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 120.0° |
| C17 | C18 | C19 | C20 | 0.2° | 60.0° |
| C17 | C18 | C19 | H19 | 179.8° | 60.0° |
| H17 | C17 | C18 | C19 | 179.8° | 60.0° |
| H17 | C17 | C18 | H18 | 0.2° | 60.0° |
| C18 | C19 | C20 | H19 | 180.0° | 120.0° |
| C18 | C19 | C20 | C21 | 0.2° | 60.0° |
| C18 | C19 | C20 | H20 | 179.8° | 180.0° |
| H18 | C18 | C19 | C20 | 179.8° | 180.0° |
| H18 | C18 | C19 | H19 | 0.2° | 60.0° |
| C19 | C20 | C21 | H20 | 180.0° | 120.1° |
| C19 | C20 | C21 | H21 | 179.8° | 180.0° |
| H19 | C19 | C20 | C21 | 179.8° | 60.0° |
| H19 | C19 | C20 | H20 | 0.2° | 60.0° |
| H20 | C20 | C21 | H21 | 0.2° | 59.9° |
| O3 | C22 | C23 | H22 | 118.1° | 120.0° |
| O3 | C22 | C23 | O4 | 49.9° | 61.3° |
| O3 | C22 | C23 | C24 | 169.7° | 178.7° |
| O3 | C22 | C23 | H23 | 72.9° | 58.8° |
| C23 | C22 | O3 | HO3 | 20.7° | 59.9° |
| C22 | C23 | O4 | C24 | 126.1° | 120.0° |
| C22 | C23 | O4 | H23 | 116.0° | 120.1° |
| C22 | C23 | C24 | H23 | 115.6° | 120.0° |
| C22 | C23 | O4 | HO4 | 155.6° | 59.9° |
| C22 | C23 | C24 | C25 | 82.7° | 61.2° |
| C22 | C23 | C24 | N5 | 155.3° | 178.8° |
| C22 | C23 | C24 | H24 | 35.1° | 58.8° |
| H22 | C22 | O3 | HO3 | 137.6° | 180.0° |
| H22 | C22 | C23 | O4 | 68.3° | 58.7° |
| H22 | C22 | C23 | C24 | 51.6° | 61.2° |
| H22 | C22 | C23 | H23 | 169.0° | 178.8° |
| O4 | C23 | C24 | H23 | 122.8° | 120.0° |
| O4 | C23 | C24 | C25 | 38.9° | 58.8° |
| O4 | C23 | C24 | N5 | 83.1° | 61.2° |
| O4 | C23 | C24 | H24 | 156.7° | 178.8° |
| C24 | C23 | O4 | HO4 | 78.3° | 60.1° |
| C23 | C24 | C25 | N5 | 125.5° | 120.0° |
| C23 | C24 | C25 | H24 | 113.7° | 120.0° |
| C23 | C24 | N5 | H24 | 114.0° | 120.0° |
| C23 | C24 | C25 | C26 | 177.5° | 176.6° |
| C23 | C24 | C25 | H251 | 64.5° | 63.3° |
| C23 | C24 | C25 | H252 | 57.5° | 56.6° |
| C23 | C24 | N5 | C32 | 117.8° | 155.0° |
| C23 | C24 | N5 | HN5 | 62.2° | 25.0° |
| H23 | C23 | O4 | HO4 | 39.6° | 180.0° |
| H23 | C23 | C24 | C25 | 161.7° | 178.8° |
| H23 | C23 | C24 | N5 | 39.7° | 58.8° |
| H23 | C23 | C24 | H24 | 80.5° | 61.3° |
| C25 | C24 | N5 | H24 | 118.7° | 120.0° |
| C24 | C25 | C26 | H251 | 117.9° | 120.0° |
| C24 | C25 | C26 | H252 | 120.0° | 120.0° |
| C24 | C25 | H251 | H252 | 118.7° | 120.0° |
| C24 | C25 | C26 | C27 | 144.3° | 90.0° |
| C24 | C25 | C26 | C31 | 87.0° | 90.3° |
| C24 | C25 | C26 | H26 | 30.8° | 49.1° |
| C25 | C24 | N5 | C32 | 114.9° | 85.0° |
| C25 | C24 | N5 | HN5 | 65.1° | 95.0° |
| N5 | C24 | C25 | C26 | 52.0° | 63.3° |
| N5 | C24 | C25 | H251 | 170.0° | 56.7° |
| N5 | C24 | C25 | H252 | 68.0° | 176.7° |
| C24 | N5 | C32 | HN5 | 180.0° | 180.0° |
| C24 | N5 | C32 | O5 | 0.3° | 5.4° |
| C24 | N5 | C32 | C33 | 179.6° | 174.6° |
| H24 | C24 | C25 | C26 | 68.8° | 56.6° |
| H24 | C24 | C25 | H251 | 49.1° | 176.7° |
| H24 | C24 | C25 | H252 | 171.2° | 63.4° |
| H24 | C24 | N5 | C32 | 3.8° | 35.0° |
| H24 | C24 | N5 | HN5 | 176.2° | 145.0° |
| C26 | C25 | H251 | H252 | 118.7° | 120.0° |
| C25 | C26 | C27 | C31 | 126.3° | 179.7° |
| C25 | C26 | C27 | H26 | 116.7° | 111.1° |
| C25 | C26 | C31 | H26 | 117.4° | 52.7° |
| C25 | C26 | C27 | C28 | 160.2° | 180.0° |
| C25 | C26 | C27 | H271 | 43.2° | 111.1° |
| C25 | C26 | C27 | H272 | 79.8° | 0.0° |
| C25 | C26 | C31 | C30 | 168.0° | 179.8° |
| C25 | C26 | C31 | H311 | 76.9° | 52.7° |
| C25 | C26 | C31 | H312 | 47.9° | 0.1° |
| H251 | C25 | C26 | C27 | 97.8° | 30.0° |
| H251 | C25 | C26 | C31 | 30.9° | 149.7° |
| H251 | C25 | C26 | H26 | 148.7° | 169.1° |
| H252 | C25 | C26 | C27 | 24.3° | 150.0° |
| H252 | C25 | C26 | C31 | 153.0° | 29.8° |
| H252 | C25 | C26 | H26 | 89.2° | 71.0° |
| C27 | C26 | C31 | H26 | 113.6° | 127.5° |
| C26 | C27 | C28 | H271 | 117.0° | 29.6° |
| C26 | C27 | C28 | H272 | 120.0° | 179.9° |
| C26 | C27 | H271 | H272 | 118.2° | 89.1° |
| C26 | C27 | C28 | C29 | 9.7° | 0.1° |
| C26 | C27 | C28 | H281 | 108.3° | 29.6° |
| C26 | C27 | C28 | H282 | 129.7° | 179.9° |
| C27 | C26 | C31 | C30 | 39.0° | 0.5° |
| C27 | C26 | C31 | H311 | 154.1° | 127.5° |
| C27 | C26 | C31 | H312 | 81.0° | 179.9° |
| C31 | C26 | C27 | C28 | 33.9° | 0.3° |
| C31 | C26 | C27 | H271 | 83.0° | 69.2° |
| C31 | C26 | C27 | H272 | 154.0° | 179.7° |
| C26 | C31 | C30 | C29 | 1.5° | 0.4° |
| C26 | C31 | C30 | H311 | 115.1° | 118.3° |
| C26 | C31 | C30 | H312 | 120.0° | 179.6° |
| C26 | C31 | C30 | H301 | 117.1° | 118.3° |
| C26 | C31 | C30 | H302 | 121.5° | 179.7° |
| C26 | C31 | H311 | H312 | 117.1° | 121.3° |
| H26 | C26 | C27 | C28 | 83.1° | 68.9° |
| H26 | C26 | C27 | H271 | 159.9° | NaN° |
| H26 | C26 | C27 | H272 | 36.9° | 111.1° |
| H26 | C26 | C31 | C30 | 74.6° | 127.0° |
| H26 | C26 | C31 | H311 | 40.5° | 0.0° |
| H26 | C26 | C31 | H312 | 165.4° | 52.6° |
| C28 | C27 | H271 | H272 | 118.2° | 147.9° |
| C27 | C28 | C29 | H281 | 118.0° | 26.9° |
| C27 | C28 | C29 | H282 | 120.0° | 180.0° |
| C27 | C28 | H281 | H282 | 118.7° | 93.2° |
| C27 | C28 | C29 | C30 | 51.1° | 0.0° |
| C27 | C28 | C29 | H291 | 169.6° | 26.9° |
| C27 | C28 | C29 | H292 | 68.9° | 179.9° |
| H271 | C27 | C28 | C29 | 126.7° | 29.7° |
| H271 | C27 | C28 | H281 | 8.7° | NaN° |
| H271 | C27 | C28 | H282 | 113.3° | 150.3° |
| H272 | C27 | C28 | C29 | 110.3° | 180.0° |
| H272 | C27 | C28 | H281 | 131.7° | 150.3° |
| H272 | C27 | C28 | H282 | 9.7° | 0.0° |
| C29 | C28 | H281 | H282 | 118.7° | 114.3° |
| C28 | C29 | C30 | H291 | 118.5° | 50.6° |
| C28 | C29 | C30 | H292 | 120.0° | 179.9° |
| C28 | C29 | H291 | H292 | 119.0° | 145.2° |
| C28 | C29 | C30 | C31 | 46.7° | 0.2° |
| C28 | C29 | C30 | H301 | 72.0° | 50.6° |
| C28 | C29 | C30 | H302 | 166.7° | 180.0° |
| H281 | C28 | C29 | C30 | 66.9° | 26.9° |
| H281 | C28 | C29 | H291 | 51.6° | 0.0° |
| H281 | C28 | C29 | H292 | 173.1° | 153.0° |
| H282 | C28 | C29 | C30 | 171.1° | 180.0° |
| H282 | C28 | C29 | H291 | 70.4° | 153.1° |
| H282 | C28 | C29 | H292 | 51.1° | 0.1° |
| C30 | C29 | H291 | H292 | 119.1° | 77.0° |
| C29 | C30 | C31 | H301 | 118.7° | 118.7° |
| C29 | C30 | C31 | H302 | 120.0° | 179.8° |
| C29 | C30 | H301 | H302 | 119.2° | 137.8° |
| C29 | C30 | C31 | H311 | 113.6° | 118.7° |
| C29 | C30 | C31 | H312 | 121.5° | 179.9° |
| H291 | C29 | C30 | C31 | 165.1° | 50.8° |
| H291 | C29 | C30 | H301 | 46.5° | 0.0° |
| H291 | C29 | C30 | H302 | 74.8° | 129.4° |
| H292 | C29 | C30 | C31 | 73.3° | 179.9° |
| H292 | C29 | C30 | H301 | 168.0° | 129.3° |
| H292 | C29 | C30 | H302 | 46.7° | 0.1° |
| C31 | C30 | H301 | H302 | 119.1° | 130.1° |
| C30 | C31 | H311 | H312 | 117.1° | 109.2° |
| H301 | C30 | C31 | H311 | 127.8° | NaN° |
| H301 | C30 | C31 | H312 | 2.9° | 61.4° |
| H302 | C30 | C31 | H311 | 6.4° | 61.5° |
| H302 | C30 | C31 | H312 | 118.5° | 0.1° |
| N5 | C32 | O5 | C33 | 179.2° | 180.0° |
| N5 | C32 | C33 | C34 | 146.8° | 85.4° |
| N5 | C32 | C33 | N6 | 89.8° | 154.6° |
| N5 | C32 | C33 | H33 | 30.3° | 34.6° |
| HN5 | N5 | C32 | O5 | 179.7° | 174.5° |
| HN5 | N5 | C32 | C33 | 0.4° | 5.4° |
| O5 | C32 | C33 | C34 | 33.9° | 94.6° |
| O5 | C32 | C33 | N6 | 89.5° | 25.4° |
| O5 | C32 | C33 | H33 | 150.4° | 145.4° |
| C32 | C33 | C34 | N6 | 120.8° | 120.1° |
| C32 | C33 | C34 | H33 | 119.3° | 119.9° |
| C32 | C33 | N6 | H33 | 119.6° | 120.0° |
| C32 | C33 | C34 | C35 | 179.4° | 59.5° |
| C32 | C33 | C34 | C36 | 63.8° | 60.5° |
| C32 | C33 | C34 | H34 | 60.2° | 179.5° |
| C32 | C33 | N6 | C37 | 112.9° | 155.0° |
| C32 | C33 | N6 | HN6 | 67.1° | 25.1° |
| C34 | C33 | N6 | H33 | 116.6° | 120.0° |
| C33 | C34 | C35 | C36 | 119.6° | 120.0° |
| C33 | C34 | C35 | H34 | 116.4° | 119.9° |
| C33 | C34 | C36 | H34 | 116.4° | 120.0° |
| C33 | C34 | C35 | H351 | 66.4° | 60.0° |
| C33 | C34 | C35 | H352 | 53.6° | 180.0° |
| C33 | C34 | C35 | H353 | 173.6° | 60.0° |
| C33 | C34 | C36 | H361 | 1.0° | 65.2° |
| C33 | C34 | C36 | H362 | 121.1° | 54.8° |
| C33 | C34 | C36 | H363 | 118.9° | 174.8° |
| C34 | C33 | N6 | C37 | 123.3° | 85.0° |
| C34 | C33 | N6 | HN6 | 56.7° | 95.0° |
| N6 | C33 | C34 | C35 | 58.6° | 60.5° |
| N6 | C33 | C34 | C36 | 175.4° | 179.5° |
| N6 | C33 | C34 | H34 | 60.6° | 59.4° |
| C33 | N6 | C37 | HN6 | 180.0° | 180.0° |
| C33 | N6 | C37 | O6 | 0.6° | 5.3° |
| C33 | N6 | C37 | N7 | 179.0° | 174.8° |
| H33 | C33 | C34 | C35 | 61.3° | 179.4° |
| H33 | C33 | C34 | C36 | 55.6° | 59.4° |
| H33 | C33 | C34 | H34 | 179.5° | 60.6° |
| H33 | C33 | N6 | C37 | 6.7° | 35.0° |
| H33 | C33 | N6 | HN6 | 173.3° | 145.0° |
| C35 | C34 | C36 | H34 | 119.3° | 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° |
| C35 | C34 | C36 | H361 | 125.4° | 54.8° |
| C35 | C34 | C36 | H362 | 114.6° | 174.8° |
| C35 | C34 | C36 | H363 | 5.4° | 65.2° |
| C36 | C34 | C35 | H351 | 174.0° | 60.0° |
| C36 | C34 | C35 | H352 | 66.0° | 60.0° |
| C36 | C34 | C35 | H353 | 54.0° | 180.0° |
| C34 | C36 | H361 | H362 | 120.0° | 120.0° |
| C34 | C36 | H361 | H363 | 120.0° | 120.0° |
| C34 | C36 | H362 | H363 | 120.0° | 120.0° |
| H34 | C34 | C35 | H351 | 50.0° | 179.9° |
| H34 | C34 | C35 | H352 | 170.0° | 60.0° |
| H34 | C34 | C35 | H353 | 70.0° | 60.0° |
| H34 | C34 | C36 | H361 | 115.4° | 174.8° |
| H34 | C34 | C36 | H362 | 4.7° | 65.1° |
| H34 | C34 | C36 | H363 | 124.6° | 54.8° |
| H351 | C35 | H352 | H353 | 120.0° | 120.0° |
| H361 | C36 | H362 | H363 | 120.0° | 120.0° |
| N6 | C37 | O6 | N7 | 179.6° | 179.9° |
| N6 | C37 | N7 | C38 | 0.4° | 175.1° |
| N6 | C37 | N7 | C39 | 179.5° | 4.8° |
| HN6 | N6 | C37 | O6 | 179.4° | 174.7° |
| HN6 | N6 | C37 | N7 | 1.0° | 5.3° |
| O6 | C37 | N7 | C38 | 180.0° | 5.0° |
| O6 | C37 | N7 | C39 | 0.1° | 175.1° |
| C37 | N7 | C38 | C39 | 179.9° | 180.0° |
| C37 | N7 | C38 | H381 | 171.2° | 5.0° |
| C37 | N7 | C38 | H382 | 51.2° | 125.1° |
| C37 | N7 | C38 | H383 | 68.8° | 115.0° |
| C37 | N7 | C39 | C40 | 86.8° | 90.0° |
| C37 | N7 | C39 | H391 | 29.6° | 150.0° |
| C37 | N7 | C39 | H392 | 153.1° | 30.0° |
| N7 | C38 | H381 | H382 | 120.0° | 120.0° |
| N7 | C38 | H381 | H383 | 120.0° | 120.0° |
| N7 | C38 | H382 | H383 | 120.0° | 120.0° |
| C38 | N7 | C39 | C40 | 93.1° | 90.0° |
| C38 | N7 | C39 | H391 | 150.5° | 30.0° |
| C38 | N7 | C39 | H392 | 26.9° | 150.0° |
| C39 | N7 | C38 | H381 | 8.9° | 174.9° |
| C39 | N7 | C38 | H382 | 128.8° | 54.9° |
| C39 | N7 | C38 | H383 | 111.2° | 65.1° |
| N7 | C39 | C40 | H391 | 116.4° | 120.0° |
| N7 | C39 | C40 | H392 | 120.0° | 120.0° |
| N7 | C39 | H391 | H392 | 117.9° | 120.0° |
| N7 | C39 | C40 | C41 | 103.2° | 95.0° |
| N7 | C39 | C40 | N8 | 76.6° | 85.3° |
| H381 | C38 | H382 | H383 | 120.0° | 120.0° |
| C40 | C39 | H391 | H392 | 117.8° | 120.1° |
| C39 | C40 | C41 | N8 | 179.8° | 179.7° |
| C39 | C40 | C41 | C44 | 179.7° | 179.9° |
| C39 | C40 | C41 | H41 | 0.3° | 0.1° |
| C39 | C40 | N8 | C42 | 179.7° | 179.8° |
| H391 | C39 | C40 | C41 | 140.3° | 25.0° |
| H391 | C39 | C40 | N8 | 39.9° | 154.8° |
| H392 | C39 | C40 | C41 | 16.8° | 145.0° |
| H392 | C39 | C40 | N8 | 163.4° | 34.7° |
| C40 | C41 | C44 | H41 | 180.0° | 180.0° |
| C41 | C40 | N8 | C42 | 0.1° | 0.5° |
| C40 | C41 | C44 | C43 | 0.1° | 0.0° |
| C40 | C41 | C44 | H44 | 179.9° | 180.0° |
| N8 | C40 | C41 | C44 | 0.1° | 0.2° |
| N8 | C40 | C41 | H41 | 179.9° | 179.8° |
| C40 | N8 | C42 | C43 | 0.0° | 0.5° |
| C40 | N8 | C42 | H42 | 180.0° | 179.8° |
| C41 | C44 | C43 | C42 | 0.1° | 0.0° |
| C41 | C44 | C43 | H44 | 180.0° | 179.9° |
| C41 | C44 | C43 | H43 | 180.0° | 179.9° |
| H41 | C41 | C44 | C43 | 179.9° | 179.9° |
| H41 | C41 | C44 | H44 | 0.1° | 0.0° |
| N8 | C42 | C43 | H42 | 180.0° | 179.7° |
| N8 | C42 | C43 | C44 | 0.0° | 0.3° |
| N8 | C42 | C43 | H43 | 180.0° | 179.8° |
| C42 | C43 | C44 | H43 | 180.0° | 179.9° |
| C42 | C43 | C44 | H44 | 180.0° | 179.9° |
| H42 | C42 | C43 | C44 | 180.0° | 180.0° |
| H42 | C42 | C43 | H43 | 0.0° | 0.1° |
| H43 | C43 | C44 | H44 | 0.0° | 0.0° |
