1N9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | N3 | sing | 1.35Å | 1.34Å | Aromatic |
| C13 | N4 | sing | 1.41Å | 1.37Å | |
| C13 | N1 | doub | 1.35Å | 1.34Å | Aromatic |
| N1 | C19 | sing | 1.35Å | 1.34Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.44Å | Aromatic |
| C19 | N6 | sing | 1.40Å | 1.41Å | |
| C20 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C5 | N3 | doub | 1.35Å | 1.35Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N4 | C9 | sing | 1.41Å | 1.38Å | |
| N4 | HN4 | sing | 1.02Å | 1.00Å | |
| C9 | C24 | doub | 1.40Å | 1.41Å | Aromatic |
| C9 | C18 | sing | 1.39Å | 1.45Å | Aromatic |
| N6 | C12 | sing | 1.43Å | 1.38Å | |
| N6 | C10 | sing | 1.46Å | 1.41Å | |
| C10 | C11 | doub | 1.36Å | 1.46Å | Aromatic |
| C10 | C14 | sing | 1.37Å | 1.47Å | Aromatic |
| C11 | O4 | sing | 1.36Å | 1.43Å | |
| C11 | C17 | sing | 1.39Å | 1.44Å | Aromatic |
| C12 | O2 | doub | 1.23Å | 1.16Å | |
| C12 | O1 | sing | 1.40Å | 1.50Å | |
| C14 | C15 | doub | 1.39Å | 1.42Å | Aromatic |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| C15 | C16 | sing | 1.39Å | 1.44Å | Aromatic |
| C15 | H15 | sing | 1.09Å | 1.08Å | |
| C16 | C17 | doub | 1.40Å | 1.46Å | Aromatic |
| C16 | O3 | sing | 1.36Å | 1.40Å | |
| C17 | H17 | sing | 1.09Å | 1.08Å | |
| C18 | C21 | doub | 1.39Å | 1.42Å | Aromatic |
| C18 | H18 | sing | 1.09Å | 1.08Å | |
| C21 | C22 | sing | 1.39Å | 1.44Å | Aromatic |
| C21 | O7 | sing | 1.36Å | 1.42Å | |
| C22 | C23 | doub | 1.39Å | 1.44Å | Aromatic |
| C22 | O5 | sing | 1.37Å | 1.40Å | |
| C23 | C24 | sing | 1.39Å | 1.43Å | Aromatic |
| C23 | O6 | sing | 1.36Å | 1.41Å | |
| C24 | H24 | sing | 1.09Å | 1.08Å | |
| O1 | C25 | sing | 1.40Å | 1.52Å | |
| C25 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | sing | 1.38Å | 1.42Å | Aromatic |
| C26 | C32 | sing | 1.49Å | 1.49Å | |
| C26 | C27 | doub | 1.39Å | 1.45Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.43Å | Aromatic |
| C27 | H27 | sing | 1.09Å | 1.08Å | |
| C28 | C29 | doub | 1.40Å | 1.44Å | Aromatic |
| C28 | H28 | sing | 1.09Å | 1.08Å | |
| C29 | C30 | sing | 1.39Å | 1.45Å | Aromatic |
| C29 | H29 | sing | 1.09Å | 1.08Å | |
| C30 | C31 | sing | 1.49Å | 1.49Å | |
| C31 | H311 | sing | 1.10Å | 1.10Å | |
| C31 | H312 | sing | 1.10Å | 1.10Å | |
| C31 | H313 | sing | 1.10Å | 1.10Å | |
| C32 | H321 | sing | 1.10Å | 1.10Å | |
| C32 | H322 | sing | 1.10Å | 1.10Å | |
| C32 | H323 | sing | 1.10Å | 1.10Å | |
| O6 | C33 | sing | 1.43Å | 1.43Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| O3 | C37 | sing | 1.43Å | 1.42Å | |
| O4 | C36 | sing | 1.43Å | 1.45Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| O5 | C7 | sing | 1.42Å | 1.43Å | |
| C7 | C8 | sing | 1.52Å | 1.49Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | C35 | sing | 1.52Å | 1.53Å | |
| C8 | H81 | sing | 1.10Å | 1.10Å | |
| C8 | H82 | sing | 1.10Å | 1.10Å | |
| C35 | N5 | sing | 1.46Å | 1.48Å | |
| C35 | H351 | sing | 1.10Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| O7 | C34 | sing | 1.43Å | 1.45Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C1 | N2 | sing | 1.47Å | 1.51Å | |
| C1 | C6 | sing | 1.53Å | 1.56Å | |
| C1 | H11 | sing | 1.10Å | 1.10Å | |
| C1 | H12 | sing | 1.10Å | 1.10Å | |
| N2 | C2 | sing | 1.46Å | 1.49Å | |
| N2 | C3 | sing | 1.47Å | 1.51Å | |
| C3 | C4 | sing | 1.53Å | 1.58Å | |
| C3 | H31 | sing | 1.10Å | 1.10Å | |
| C3 | H32 | sing | 1.10Å | 1.10Å | |
| C4 | N5 | sing | 1.47Å | 1.50Å | |
| C4 | H41 | sing | 1.10Å | 1.10Å | |
| C4 | H42 | sing | 1.10Å | 1.10Å | |
| N5 | C6 | sing | 1.47Å | 1.50Å | |
| C6 | H61 | sing | 1.10Å | 1.10Å | |
| C6 | H62 | sing | 1.10Å | 1.10Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C2 | H23 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C13 | N4 | 117.4° | 116.6° |
| N3 | C13 | N1 | 119.1° | 126.7° |
| C13 | N3 | C5 | 123.8° | 115.1° |
| N4 | C13 | N1 | 123.5° | 116.7° |
| C13 | N4 | C9 | 128.0° | 132.6° |
| C13 | N4 | HN4 | 116.0° | 113.8° |
| C13 | N1 | C19 | 120.8° | 115.1° |
| N1 | C19 | C20 | 121.3° | 123.7° |
| N1 | C19 | N6 | 114.2° | 118.6° |
| C20 | C19 | N6 | 124.5° | 117.7° |
| C19 | C20 | C5 | 115.4° | 115.6° |
| C19 | C20 | H20 | 122.3° | 122.9° |
| C19 | N6 | C12 | 115.3° | 123.2° |
| C19 | N6 | C10 | 125.3° | 119.1° |
| C5 | C20 | H20 | 122.3° | 121.4° |
| C20 | C5 | N3 | 119.6° | 123.8° |
| C20 | C5 | H5 | 120.2° | 121.0° |
| N3 | C5 | H5 | 120.2° | 115.3° |
| C9 | N4 | HN4 | 116.0° | 113.7° |
| N4 | C9 | C24 | 112.5° | 120.0° |
| N4 | C9 | C18 | 126.3° | 120.0° |
| C24 | C9 | C18 | 121.2° | 120.0° |
| C9 | C24 | C23 | 118.9° | 120.0° |
| C9 | C24 | H24 | 120.6° | 120.2° |
| C9 | C18 | C21 | 120.9° | 120.0° |
| C9 | C18 | H18 | 119.5° | 120.3° |
| C12 | N6 | C10 | 119.4° | 117.6° |
| N6 | C12 | O2 | 131.2° | 126.0° |
| N6 | C12 | O1 | 109.7° | 111.3° |
| N6 | C10 | C11 | 117.6° | 118.4° |
| N6 | C10 | C14 | 119.7° | 117.0° |
| C11 | C10 | C14 | 122.7° | 124.6° |
| C10 | C11 | O4 | 117.2° | 123.2° |
| C10 | C11 | C17 | 118.4° | 117.7° |
| C10 | C14 | C15 | 118.7° | 117.6° |
| C10 | C14 | H14 | 120.7° | 123.0° |
| O4 | C11 | C17 | 124.4° | 119.1° |
| C11 | O4 | C36 | 119.2° | 117.0° |
| C11 | C17 | C16 | 117.6° | 119.9° |
| C11 | C17 | H17 | 121.2° | 120.1° |
| O2 | C12 | O1 | 119.1° | 122.7° |
| C12 | O1 | C25 | 113.1° | 114.4° |
| C15 | C14 | H14 | 120.6° | 119.4° |
| C14 | C15 | C16 | 118.2° | 120.0° |
| C14 | C15 | H15 | 120.9° | 119.6° |
| C16 | C15 | H15 | 120.9° | 120.4° |
| C15 | C16 | C17 | 124.4° | 120.0° |
| C15 | C16 | O3 | 113.5° | 120.0° |
| C17 | C16 | O3 | 122.0° | 120.0° |
| C16 | C17 | H17 | 121.2° | 120.0° |
| C16 | O3 | C37 | 119.4° | 117.0° |
| C21 | C18 | H18 | 119.5° | 119.7° |
| C18 | C21 | C22 | 117.1° | 119.8° |
| C18 | C21 | O7 | 122.8° | 119.4° |
| C22 | C21 | O7 | 120.1° | 120.8° |
| C21 | C22 | C23 | 122.4° | 120.5° |
| C21 | C22 | O5 | 116.9° | 119.8° |
| C21 | O7 | C34 | 123.3° | 117.0° |
| C23 | C22 | O5 | 120.7° | 119.7° |
| C22 | C23 | C24 | 119.5° | 119.8° |
| C22 | C23 | O6 | 116.6° | 120.8° |
| C22 | O5 | C7 | 111.2° | 116.8° |
| C24 | C23 | O6 | 123.9° | 119.4° |
| C23 | C24 | H24 | 120.5° | 119.8° |
| C23 | O6 | C33 | 121.0° | 117.0° |
| O1 | C25 | C30 | 115.0° | 118.8° |
| O1 | C25 | C26 | 118.3° | 118.7° |
| C30 | C25 | C26 | 126.7° | 122.5° |
| C25 | C30 | C29 | 116.2° | 118.8° |
| C25 | C30 | C31 | 120.7° | 122.1° |
| C25 | C26 | C32 | 121.4° | 122.1° |
| C25 | C26 | C27 | 117.5° | 118.8° |
| C32 | C26 | C27 | 121.1° | 119.2° |
| C26 | C32 | H321 | 109.5° | 110.2° |
| C26 | C32 | H322 | 109.5° | 111.2° |
| C26 | C32 | H323 | 109.5° | 111.2° |
| C26 | C27 | C28 | 117.1° | 120.0° |
| C26 | C27 | H27 | 121.5° | 120.6° |
| C28 | C27 | H27 | 121.4° | 119.4° |
| C27 | C28 | C29 | 124.0° | 120.0° |
| C27 | C28 | H28 | 118.0° | 120.0° |
| C29 | C28 | H28 | 118.0° | 120.0° |
| C28 | C29 | C30 | 118.5° | 120.0° |
| C28 | C29 | H29 | 120.8° | 119.5° |
| C30 | C29 | H29 | 120.8° | 120.6° |
| C29 | C30 | C31 | 123.2° | 119.1° |
| C30 | C31 | H311 | 109.5° | 110.3° |
| C30 | C31 | H312 | 109.4° | 111.2° |
| C30 | C31 | H313 | 109.5° | 111.2° |
| H311 | C31 | H312 | 109.5° | 108.5° |
| H311 | C31 | H313 | 109.4° | 108.6° |
| H312 | C31 | H313 | 109.5° | 106.9° |
| H321 | C32 | H322 | 109.4° | 108.6° |
| H321 | C32 | H323 | 109.4° | 108.6° |
| H322 | C32 | H323 | 109.5° | 106.9° |
| O6 | C33 | H331 | 109.5° | 109.5° |
| O6 | C33 | H332 | 109.5° | 109.6° |
| O6 | C33 | H333 | 109.4° | 109.0° |
| H331 | C33 | H332 | 109.4° | 110.1° |
| H331 | C33 | H333 | 109.5° | 109.3° |
| H332 | C33 | H333 | 109.5° | 109.4° |
| O3 | C37 | H371 | 109.5° | 109.5° |
| O3 | C37 | H372 | 109.5° | 109.6° |
| O3 | C37 | H373 | 109.4° | 109.0° |
| O4 | C36 | H361 | 109.5° | 109.5° |
| O4 | C36 | H362 | 109.4° | 109.5° |
| O4 | C36 | H363 | 109.4° | 109.0° |
| H361 | C36 | H362 | 109.5° | 110.1° |
| H361 | C36 | H363 | 109.4° | 109.4° |
| H362 | C36 | H363 | 109.5° | 109.4° |
| H371 | C37 | H372 | 109.5° | 110.1° |
| H371 | C37 | H373 | 109.4° | 109.3° |
| H372 | C37 | H373 | 109.5° | 109.4° |
| O5 | C7 | C8 | 108.3° | 108.8° |
| O5 | C7 | H71 | 109.9° | 108.3° |
| O5 | C7 | H72 | 110.1° | 108.5° |
| C8 | C7 | H71 | 109.9° | 111.3° |
| C8 | C7 | H72 | 110.1° | 110.9° |
| C7 | C8 | C35 | 111.1° | 112.8° |
| C7 | C8 | H81 | 108.9° | 108.9° |
| C7 | C8 | H82 | 108.6° | 109.3° |
| H71 | C7 | H72 | 108.6° | 109.0° |
| C35 | C8 | H81 | 108.9° | 109.2° |
| C35 | C8 | H82 | 108.6° | 110.4° |
| C8 | C35 | N5 | 111.6° | 112.6° |
| C8 | C35 | H351 | 108.8° | 110.1° |
| C8 | C35 | H352 | 108.2° | 111.1° |
| H81 | C8 | H82 | 110.7° | 105.9° |
| N5 | C35 | H351 | 108.8° | 106.9° |
| N5 | C35 | H352 | 108.3° | 107.8° |
| C35 | N5 | C4 | 108.0° | 110.8° |
| C35 | N5 | C6 | 111.4° | 110.8° |
| H351 | C35 | H352 | 111.2° | 108.2° |
| O7 | C34 | H341 | 109.5° | 109.6° |
| O7 | C34 | H342 | 109.5° | 109.5° |
| O7 | C34 | H343 | 109.5° | 109.0° |
| H341 | C34 | H342 | 109.4° | 110.1° |
| H341 | C34 | H343 | 109.5° | 109.3° |
| H342 | C34 | H343 | 109.5° | 109.4° |
| N2 | C1 | C6 | 106.4° | 110.9° |
| N2 | C1 | H11 | 110.5° | 110.7° |
| N2 | C1 | H12 | 111.1° | 109.5° |
| C1 | N2 | C2 | 111.2° | 110.8° |
| C1 | N2 | C3 | 113.8° | 110.4° |
| C6 | C1 | H11 | 110.5° | 109.8° |
| C6 | C1 | H12 | 111.2° | 108.6° |
| C1 | C6 | N5 | 113.0° | 110.9° |
| C1 | C6 | H61 | 108.3° | 109.8° |
| C1 | C6 | H62 | 107.5° | 108.6° |
| H11 | C1 | H12 | 107.2° | 107.3° |
| C2 | N2 | C3 | 107.8° | 110.8° |
| N2 | C2 | H21 | 109.5° | 110.1° |
| N2 | C2 | H22 | 109.5° | 110.3° |
| N2 | C2 | H23 | 109.5° | 110.3° |
| N2 | C3 | C4 | 109.9° | 110.9° |
| N2 | C3 | H31 | 109.3° | 109.5° |
| N2 | C3 | H32 | 109.2° | 110.8° |
| C4 | C3 | H31 | 109.3° | 108.6° |
| C4 | C3 | H32 | 109.2° | 109.8° |
| C3 | C4 | N5 | 110.3° | 110.8° |
| C3 | C4 | H41 | 109.2° | 108.5° |
| C3 | C4 | H42 | 109.0° | 109.7° |
| H31 | C3 | H32 | 109.8° | 107.3° |
| N5 | C4 | H41 | 109.2° | 109.5° |
| N5 | C4 | H42 | 109.0° | 110.8° |
| C4 | N5 | C6 | 110.2° | 110.4° |
| H41 | C4 | H42 | 110.1° | 107.4° |
| N5 | C6 | H61 | 108.3° | 110.7° |
| N5 | C6 | H62 | 107.5° | 109.5° |
| H61 | C6 | H62 | 112.3° | 107.3° |
| H21 | C2 | H22 | 109.4° | 108.7° |
| H21 | C2 | H23 | 109.4° | 108.7° |
| H22 | C2 | H23 | 109.5° | 108.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C13 | N4 | N1 | 178.4° | 180.0° |
| N3 | C13 | N1 | C19 | 1.0° | 0.1° |
| C13 | N3 | C5 | C20 | 0.4° | 0.0° |
| C13 | N3 | C5 | H5 | 179.6° | 180.0° |
| N3 | C13 | N4 | C9 | 178.1° | 179.9° |
| N3 | C13 | N4 | HN4 | 1.8° | 0.0° |
| N4 | C13 | N1 | C19 | 177.4° | 179.9° |
| N4 | C13 | N3 | C5 | 177.6° | 180.0° |
| C13 | N4 | C9 | HN4 | 180.0° | 179.9° |
| C13 | N4 | C9 | C24 | 153.7° | 29.9° |
| C13 | N4 | C9 | C18 | 27.9° | 150.1° |
| C13 | N1 | C19 | C20 | 0.7° | 0.1° |
| C13 | N1 | C19 | N6 | 180.0° | 180.0° |
| N1 | C13 | N3 | C5 | 0.9° | 0.0° |
| N1 | C13 | N4 | C9 | 0.3° | 0.1° |
| N1 | C13 | N4 | HN4 | 179.8° | 180.0° |
| N1 | C19 | C20 | N6 | 179.3° | 179.9° |
| N1 | C19 | C20 | C5 | 0.2° | 0.1° |
| N1 | C19 | C20 | H20 | 179.8° | 179.9° |
| N1 | C19 | N6 | C12 | 173.4° | 1.9° |
| N1 | C19 | N6 | C10 | 5.5° | 179.9° |
| C19 | C20 | C5 | H20 | 180.0° | 180.0° |
| C19 | C20 | C5 | N3 | 0.1° | 0.0° |
| C19 | C20 | C5 | H5 | 179.9° | 180.0° |
| C20 | C19 | N6 | C12 | 5.9° | 178.2° |
| C20 | C19 | N6 | C10 | 175.2° | 0.0° |
| N6 | C19 | C20 | C5 | 179.5° | 180.0° |
| N6 | C19 | C20 | H20 | 0.5° | 0.0° |
| C19 | N6 | C12 | C10 | 179.0° | 178.2° |
| C19 | N6 | C10 | C11 | 117.4° | 90.1° |
| C19 | N6 | C10 | C14 | 64.1° | 90.0° |
| C19 | N6 | C12 | O2 | 34.4° | 1.8° |
| C19 | N6 | C12 | O1 | 146.3° | 177.1° |
| C20 | C5 | N3 | H5 | 180.0° | 180.0° |
| H20 | C20 | C5 | N3 | 179.9° | 180.0° |
| H20 | C20 | C5 | H5 | 0.1° | 0.0° |
| N4 | C9 | C24 | C18 | 178.5° | 180.0° |
| N4 | C9 | C18 | C21 | 178.1° | 180.0° |
| N4 | C9 | C18 | H18 | 1.9° | 0.0° |
| N4 | C9 | C24 | C23 | 178.2° | 180.0° |
| N4 | C9 | C24 | H24 | 1.8° | 0.0° |
| HN4 | N4 | C9 | C24 | 26.3° | 150.0° |
| HN4 | N4 | C9 | C18 | 152.1° | 30.0° |
| C24 | C9 | C18 | C21 | 0.2° | 0.1° |
| C24 | C9 | C18 | H18 | 179.8° | 180.0° |
| C9 | C24 | C23 | C22 | 0.0° | 0.1° |
| C9 | C24 | C23 | H24 | 180.0° | 180.0° |
| C9 | C24 | C23 | O6 | 179.2° | 180.0° |
| C9 | C18 | C21 | H18 | 180.0° | 180.0° |
| C9 | C18 | C21 | C22 | 0.3° | 0.1° |
| C9 | C18 | C21 | O7 | 178.3° | 180.0° |
| C18 | C9 | C24 | C23 | 0.3° | 0.1° |
| C18 | C9 | C24 | H24 | 179.7° | 180.0° |
| C12 | N6 | C10 | C11 | 61.4° | 88.1° |
| C12 | N6 | C10 | C14 | 117.0° | 91.7° |
| N6 | C12 | O2 | O1 | 179.3° | 178.8° |
| N6 | C12 | O1 | C25 | 172.6° | 180.0° |
| N6 | C10 | C11 | C14 | 178.4° | 179.8° |
| N6 | C10 | C11 | O4 | 2.7° | 0.0° |
| N6 | C10 | C11 | C17 | 178.0° | 179.9° |
| C10 | N6 | C12 | O2 | 144.6° | 180.0° |
| C10 | N6 | C12 | O1 | 34.7° | 1.1° |
| N6 | C10 | C14 | C15 | 178.0° | 179.9° |
| N6 | C10 | C14 | H14 | 2.0° | 0.1° |
| C10 | C11 | O4 | C17 | 179.2° | 179.9° |
| C11 | C10 | C14 | C15 | 0.4° | 0.1° |
| C11 | C10 | C14 | H14 | 179.6° | 180.0° |
| C10 | C11 | C17 | C16 | 0.4° | 0.0° |
| C10 | C11 | C17 | H17 | 179.6° | 179.9° |
| C10 | C11 | O4 | C36 | 168.7° | 90.0° |
| C14 | C10 | C11 | O4 | 178.9° | 179.9° |
| C14 | C10 | C11 | C17 | 0.4° | 0.1° |
| C10 | C14 | C15 | H14 | 180.0° | 180.0° |
| C10 | C14 | C15 | C16 | 0.4° | 0.0° |
| C10 | C14 | C15 | H15 | 179.6° | 180.0° |
| O4 | C11 | C17 | C16 | 178.8° | 179.9° |
| O4 | C11 | C17 | H17 | 1.2° | 0.1° |
| C11 | O4 | C36 | H361 | 45.7° | 20.0° |
| C11 | O4 | C36 | H362 | 74.3° | 100.8° |
| C11 | O4 | C36 | H363 | 165.7° | 139.6° |
| C11 | C17 | C16 | C15 | 0.5° | 0.0° |
| C11 | C17 | C16 | H17 | 180.0° | 180.0° |
| C11 | C17 | C16 | O3 | 176.2° | 180.0° |
| C17 | C11 | O4 | C36 | 12.0° | 90.1° |
| O2 | C12 | O1 | C25 | 8.0° | 1.1° |
| C12 | O1 | C25 | C30 | 100.0° | 90.1° |
| C12 | O1 | C25 | C26 | 79.5° | 90.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C14 | C15 | C16 | C17 | 0.5° | 0.0° |
| C14 | C15 | C16 | O3 | 176.5° | 180.0° |
| H14 | C14 | C15 | C16 | 179.6° | 180.0° |
| H14 | C14 | C15 | H15 | 0.4° | 0.0° |
| C15 | C16 | C17 | O3 | 176.7° | 180.0° |
| C15 | C16 | C17 | H17 | 179.5° | 180.0° |
| C15 | C16 | O3 | C37 | 140.5° | 0.0° |
| H15 | C15 | C16 | C17 | 179.5° | 180.0° |
| H15 | C15 | C16 | O3 | 3.6° | 0.0° |
| C17 | C16 | O3 | C37 | 42.5° | 180.0° |
| O3 | C16 | C17 | H17 | 3.8° | 0.0° |
| C16 | O3 | C37 | H371 | 99.1° | 140.2° |
| C16 | O3 | C37 | H372 | 140.9° | 19.4° |
| C16 | O3 | C37 | H373 | 20.8° | 100.3° |
| C18 | C21 | C22 | O7 | 178.7° | 180.0° |
| C18 | C21 | C22 | C23 | 0.6° | 0.1° |
| C18 | C21 | C22 | O5 | 178.1° | 180.0° |
| C18 | C21 | O7 | C34 | 32.0° | 89.9° |
| H18 | C18 | C21 | C22 | 179.7° | 180.0° |
| H18 | C18 | C21 | O7 | 1.7° | 0.0° |
| C21 | C22 | C23 | O5 | 178.6° | 179.9° |
| C21 | C22 | C23 | C24 | 0.4° | 0.1° |
| C21 | C22 | C23 | O6 | 178.7° | 180.0° |
| C21 | C22 | O5 | C7 | 84.3° | 90.0° |
| C22 | C21 | O7 | C34 | 149.5° | 90.0° |
| O7 | C21 | C22 | C23 | 178.1° | 180.0° |
| O7 | C21 | C22 | O5 | 3.3° | 0.0° |
| C21 | O7 | C34 | H341 | 117.0° | 57.3° |
| C21 | O7 | C34 | H342 | 123.0° | 63.5° |
| C21 | O7 | C34 | H343 | 3.0° | 176.9° |
| C22 | C23 | C24 | O6 | 179.1° | 179.9° |
| C22 | C23 | C24 | H24 | 180.0° | 180.0° |
| C22 | C23 | O6 | C33 | 178.9° | 90.0° |
| C23 | C22 | O5 | C7 | 97.0° | 90.0° |
| O5 | C22 | C23 | C24 | 178.2° | 180.0° |
| O5 | C22 | C23 | O6 | 2.6° | 0.1° |
| C22 | O5 | C7 | C8 | 170.4° | 178.9° |
| C22 | O5 | C7 | H71 | 69.6° | 60.0° |
| C22 | O5 | C7 | H72 | 49.9° | 58.2° |
| C24 | C23 | O6 | C33 | 1.9° | 89.9° |
| O6 | C23 | C24 | H24 | 0.8° | 0.0° |
| C23 | O6 | C33 | H331 | 84.4° | 107.7° |
| C23 | O6 | C33 | H332 | 155.6° | 13.0° |
| C23 | O6 | C33 | H333 | 35.6° | 132.7° |
| O1 | C25 | C30 | C26 | 179.5° | 179.9° |
| O1 | C25 | C26 | C32 | 2.0° | 0.0° |
| O1 | C25 | C26 | C27 | 179.9° | 179.9° |
| O1 | C25 | C30 | C29 | 180.0° | 179.9° |
| O1 | C25 | C30 | C31 | 0.7° | 0.1° |
| C30 | C25 | C26 | C32 | 177.5° | 180.0° |
| C30 | C25 | C26 | C27 | 0.7° | 0.0° |
| C25 | C30 | C29 | C28 | 0.2° | 0.0° |
| C25 | C30 | C29 | C31 | 179.3° | 180.0° |
| C25 | C30 | C29 | H29 | 179.7° | 180.0° |
| C25 | C30 | C31 | H311 | 109.8° | 103.4° |
| C25 | C30 | C31 | H312 | 10.2° | 17.0° |
| C25 | C30 | C31 | H313 | 130.2° | 136.0° |
| C25 | C26 | C32 | C27 | 178.1° | 180.0° |
| C25 | C26 | C27 | C28 | 0.4° | 0.0° |
| C25 | C26 | C27 | H27 | 179.6° | 180.0° |
| C26 | C25 | C30 | C29 | 0.6° | 0.0° |
| C26 | C25 | C30 | C31 | 178.7° | 180.0° |
| C25 | C26 | C32 | H321 | 66.7° | 87.0° |
| C25 | C26 | C32 | H322 | 53.3° | 33.5° |
| C25 | C26 | C32 | H323 | 173.3° | 152.5° |
| C32 | C26 | C27 | C28 | 177.7° | 180.0° |
| C32 | C26 | C27 | H27 | 2.3° | 0.0° |
| C26 | C32 | H321 | H322 | 120.0° | 122.0° |
| C26 | C32 | H321 | H323 | 120.0° | 122.0° |
| C26 | C32 | H322 | H323 | 120.0° | 121.6° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.2° | 0.1° |
| C26 | C27 | C28 | H28 | 179.8° | 180.0° |
| C27 | C26 | C32 | H321 | 111.4° | 93.0° |
| C27 | C26 | C32 | H322 | 128.6° | 146.5° |
| C27 | C26 | C32 | H323 | 8.6° | 27.5° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C27 | C28 | C29 | C30 | 0.1° | 0.1° |
| C27 | C28 | C29 | H29 | 179.9° | 180.0° |
| H27 | C27 | C28 | C29 | 179.8° | 180.0° |
| H27 | C27 | C28 | H28 | 0.2° | 0.1° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 179.1° | 180.0° |
| H28 | C28 | C29 | C30 | 179.9° | 180.0° |
| H28 | C28 | C29 | H29 | 0.1° | 0.1° |
| C29 | C30 | C31 | H311 | 70.9° | 76.6° |
| C29 | C30 | C31 | H312 | 169.1° | 162.9° |
| C29 | C30 | C31 | H313 | 49.0° | 43.9° |
| H29 | C29 | C30 | C31 | 1.0° | 0.1° |
| C30 | C31 | H311 | H312 | 120.0° | 122.0° |
| C30 | C31 | H311 | H313 | 120.0° | 122.1° |
| C30 | C31 | H312 | H313 | 120.0° | 121.6° |
| H311 | C31 | H312 | H313 | 120.0° | 116.9° |
| H321 | C32 | H322 | H323 | 119.9° | 117.0° |
| O6 | C33 | H331 | H332 | 120.0° | 120.5° |
| O6 | C33 | H331 | H333 | 120.0° | 119.3° |
| O6 | C33 | H332 | H333 | 120.0° | 119.4° |
| H331 | C33 | H332 | H333 | 120.0° | 120.2° |
| O3 | C37 | H371 | H372 | 120.0° | 120.5° |
| O3 | C37 | H371 | H373 | 120.0° | 119.3° |
| O3 | C37 | H372 | H373 | 120.0° | 119.4° |
| O4 | C36 | H361 | H362 | 120.0° | 120.4° |
| O4 | C36 | H361 | H363 | 120.0° | 119.4° |
| O4 | C36 | H362 | H363 | 120.0° | 119.4° |
| H361 | C36 | H362 | H363 | 120.0° | 120.2° |
| H371 | C37 | H372 | H373 | 120.0° | 120.1° |
| O5 | C7 | C8 | H71 | 120.0° | 119.3° |
| O5 | C7 | C8 | H72 | 120.5° | 119.2° |
| O5 | C7 | H71 | H72 | 120.5° | 117.8° |
| O5 | C7 | C8 | C35 | 54.6° | 179.3° |
| O5 | C7 | C8 | H81 | 65.4° | 59.3° |
| O5 | C7 | C8 | H82 | 173.9° | 56.0° |
| C8 | C7 | H71 | H72 | 120.5° | 122.6° |
| C7 | C8 | C35 | H81 | 120.0° | 121.3° |
| C7 | C8 | C35 | H82 | 119.3° | 122.6° |
| C7 | C8 | H81 | H82 | 119.3° | 117.5° |
| C7 | C8 | C35 | N5 | 151.0° | 60.8° |
| C7 | C8 | C35 | H351 | 88.9° | 179.9° |
| C7 | C8 | C35 | H352 | 32.0° | 60.2° |
| H71 | C7 | C8 | C35 | 65.4° | 60.0° |
| H71 | C7 | C8 | H81 | 174.6° | 178.5° |
| H71 | C7 | C8 | H82 | 53.9° | 63.3° |
| H72 | C7 | C8 | C35 | 175.0° | 61.5° |
| H72 | C7 | C8 | H81 | 55.1° | 59.9° |
| H72 | C7 | C8 | H82 | 65.6° | 175.2° |
| C35 | C8 | H81 | H82 | 119.4° | 118.9° |
| C8 | C35 | N5 | H351 | 120.0° | 121.0° |
| C8 | C35 | N5 | H352 | 119.1° | 122.9° |
| C8 | C35 | H351 | H352 | 119.1° | 121.6° |
| C8 | C35 | N5 | C4 | 163.5° | 176.1° |
| C8 | C35 | N5 | C6 | 42.3° | 61.0° |
| H81 | C8 | C35 | N5 | 89.0° | 177.9° |
| H81 | C8 | C35 | H351 | 31.0° | 58.8° |
| H81 | C8 | C35 | H352 | 151.9° | 61.1° |
| H82 | C8 | C35 | N5 | 31.7° | 61.8° |
| H82 | C8 | C35 | H351 | 151.7° | 57.3° |
| H82 | C8 | C35 | H352 | 87.4° | 177.2° |
| N5 | C35 | H351 | H352 | 119.1° | 115.9° |
| C35 | N5 | C6 | C1 | 179.4° | 179.9° |
| C35 | N5 | C4 | C3 | 178.2° | 180.0° |
| C35 | N5 | C4 | C6 | 121.9° | 123.2° |
| C35 | N5 | C4 | H41 | 61.8° | 60.3° |
| C35 | N5 | C4 | H42 | 58.5° | 57.9° |
| C35 | N5 | C6 | H61 | 60.7° | 57.9° |
| C35 | N5 | C6 | H62 | 60.9° | 60.3° |
| H351 | C35 | N5 | C4 | 43.4° | 63.0° |
| H351 | C35 | N5 | C6 | 77.7° | 60.0° |
| H352 | C35 | N5 | C4 | 77.5° | 53.2° |
| H352 | C35 | N5 | C6 | 161.4° | 176.2° |
| O7 | C34 | H341 | H342 | 120.0° | 120.5° |
| O7 | C34 | H341 | H343 | 120.0° | 119.4° |
| O7 | C34 | H342 | H343 | 120.0° | 119.3° |
| H341 | C34 | H342 | H343 | 120.0° | 120.2° |
| N2 | C1 | C6 | H11 | 120.0° | 122.7° |
| N2 | C1 | C6 | H12 | 121.2° | 120.4° |
| N2 | C1 | H11 | H12 | 121.2° | 119.5° |
| C1 | N2 | C2 | C3 | 125.4° | 122.9° |
| C1 | N2 | C3 | C4 | 57.3° | 56.7° |
| C1 | N2 | C3 | H31 | 177.3° | 176.5° |
| C1 | N2 | C3 | H32 | 62.5° | 65.4° |
| N2 | C1 | C6 | N5 | 57.6° | 56.9° |
| N2 | C1 | C6 | H61 | 177.6° | 65.7° |
| N2 | C1 | C6 | H62 | 60.8° | 177.3° |
| C1 | N2 | C2 | H21 | 97.3° | 80.2° |
| C1 | N2 | C2 | H22 | 142.7° | 39.8° |
| C1 | N2 | C2 | H23 | 22.7° | 159.8° |
| C6 | C1 | H11 | H12 | 121.2° | 117.8° |
| C6 | C1 | N2 | C2 | 65.1° | 179.8° |
| C6 | C1 | N2 | C3 | 56.9° | 56.7° |
| C1 | C6 | N5 | C4 | 59.6° | 56.7° |
| C1 | C6 | N5 | H61 | 120.0° | 122.1° |
| C1 | C6 | N5 | H62 | 118.4° | 119.8° |
| C1 | C6 | H61 | H62 | 118.5° | 117.8° |
| H11 | C1 | N2 | C2 | 54.9° | 57.7° |
| H11 | C1 | N2 | C3 | 176.9° | 65.4° |
| H11 | C1 | C6 | N5 | 177.6° | 65.7° |
| H11 | C1 | C6 | H61 | 62.4° | 171.7° |
| H11 | C1 | C6 | H62 | 59.2° | 54.6° |
| H12 | C1 | N2 | C2 | 173.7° | 60.4° |
| H12 | C1 | N2 | C3 | 64.2° | 176.5° |
| H12 | C1 | C6 | N5 | 63.5° | 177.3° |
| H12 | C1 | C6 | H61 | 56.5° | 54.7° |
| H12 | C1 | C6 | H62 | 178.0° | 62.3° |
| C2 | N2 | C3 | C4 | 66.5° | 179.9° |
| C2 | N2 | C3 | H31 | 53.4° | 60.4° |
| C2 | N2 | C3 | H32 | 173.6° | 57.8° |
| N2 | C2 | H21 | H22 | 120.0° | 120.9° |
| N2 | C2 | H21 | H23 | 120.0° | 120.9° |
| N2 | C2 | H22 | H23 | 120.0° | 121.0° |
| N2 | C3 | C4 | H31 | 120.0° | 120.3° |
| N2 | C3 | C4 | H32 | 119.8° | 122.7° |
| N2 | C3 | H31 | H32 | 119.8° | 120.3° |
| N2 | C3 | C4 | N5 | 55.0° | 57.0° |
| N2 | C3 | C4 | H41 | 175.0° | 177.3° |
| N2 | C3 | C4 | H42 | 64.6° | 65.6° |
| C3 | N2 | C2 | H21 | 28.1° | 156.9° |
| C3 | N2 | C2 | H22 | 91.9° | 83.1° |
| C3 | N2 | C2 | H23 | 148.1° | 36.9° |
| C4 | C3 | H31 | H32 | 119.8° | 118.6° |
| C3 | C4 | N5 | H41 | 120.0° | 119.7° |
| C3 | C4 | N5 | H42 | 119.7° | 122.1° |
| C3 | C4 | H41 | H42 | 119.7° | 118.6° |
| C3 | C4 | N5 | C6 | 56.3° | 56.8° |
| H31 | C3 | C4 | N5 | 175.1° | 177.3° |
| H31 | C3 | C4 | H41 | 64.9° | 62.4° |
| H31 | C3 | C4 | H42 | 55.4° | 54.7° |
| H32 | C3 | C4 | N5 | 64.8° | 65.6° |
| H32 | C3 | C4 | H41 | 55.2° | 54.6° |
| H32 | C3 | C4 | H42 | 175.6° | 171.7° |
| N5 | C4 | H41 | H42 | 119.7° | 120.4° |
| C4 | N5 | C6 | H61 | 179.5° | 65.3° |
| C4 | N5 | C6 | H62 | 58.9° | 176.5° |
| H41 | C4 | N5 | C6 | 176.3° | 176.4° |
| H42 | C4 | N5 | C6 | 63.3° | 65.3° |
| N5 | C6 | H61 | H62 | 118.6° | 119.5° |
| H21 | C2 | H22 | H23 | 120.0° | 118.2° |
