HD2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.40Å | 1.37Å | Aromatic |
| C1 | N6 | doub | 1.32Å | 1.33Å | Aromatic |
| C2 | C3 | doub | 1.40Å | 1.38Å | Aromatic |
| C2 | C13 | sing | 1.48Å | 1.46Å | |
| C3 | N4 | sing | 1.32Å | 1.33Å | Aromatic |
| C3 | C8 | sing | 1.51Å | 1.49Å | |
| N4 | C5 | doub | 1.33Å | 1.34Å | Aromatic |
| C5 | N6 | sing | 1.33Å | 1.34Å | Aromatic |
| C5 | N7 | sing | 1.38Å | 1.39Å | |
| N7 | C27 | sing | 1.47Å | 1.45Å | |
| C8 | C9 | sing | 1.54Å | 1.51Å | |
| C8 | C12 | sing | 1.55Å | 1.51Å | |
| C9 | C10 | sing | 1.54Å | 1.50Å | |
| C10 | C11 | sing | 1.54Å | 1.52Å | |
| C11 | C12 | sing | 1.55Å | 1.51Å | |
| C13 | O14 | doub | 1.22Å | 1.23Å | |
| C13 | N15 | sing | 1.35Å | 1.38Å | |
| N15 | C16 | sing | 1.46Å | 1.44Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | C21 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | C25 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | C24 | sing | 1.53Å | 1.54Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | C25 | sing | 1.53Å | 1.54Å | |
| C23 | O26 | sing | 1.43Å | 1.43Å | |
| C27 | C28 | sing | 1.54Å | 1.51Å | |
| C27 | C31 | sing | 1.55Å | 1.49Å | |
| C28 | C29 | sing | 1.54Å | 1.49Å | |
| C29 | O30 | sing | 1.44Å | 1.42Å | |
| O30 | C31 | sing | 1.44Å | 1.42Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| N7 | H7 | sing | 0.97Å | 1.00Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| N15 | H15 | sing | 0.97Å | 1.00Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| O26 | H26 | sing | 0.97Å | 0.95Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | N6 | 122.4° | 119.0° |
| C1 | C2 | C3 | 117.6° | 118.3° |
| C1 | C2 | C13 | 118.1° | 120.8° |
| C2 | C1 | H1 | 118.8° | 120.5° |
| C1 | N6 | C5 | 116.2° | 121.0° |
| N6 | C1 | H1 | 118.8° | 120.5° |
| C3 | C2 | C13 | 124.2° | 120.8° |
| C2 | C3 | N4 | 120.6° | 119.0° |
| C2 | C3 | C8 | 124.7° | 120.5° |
| C2 | C13 | O14 | 119.1° | 120.0° |
| C2 | C13 | N15 | 112.3° | 120.0° |
| N4 | C3 | C8 | 114.6° | 120.5° |
| C3 | N4 | C5 | 117.9° | 120.9° |
| C3 | C8 | C9 | 110.3° | 110.5° |
| C3 | C8 | C12 | 108.6° | 110.5° |
| C3 | C8 | H8 | 110.1° | 110.4° |
| N4 | C5 | N6 | 125.1° | 121.8° |
| N4 | C5 | N7 | 116.9° | 119.0° |
| N6 | C5 | N7 | 117.9° | 119.1° |
| C5 | N7 | C27 | 118.8° | 120.0° |
| C5 | N7 | H7 | 107.1° | 120.0° |
| N7 | C27 | C28 | 118.0° | 110.5° |
| N7 | C27 | C31 | 106.7° | 110.5° |
| C27 | N7 | H7 | 107.1° | 120.0° |
| N7 | C27 | H27 | 109.3° | 110.4° |
| C9 | C8 | C12 | 108.1° | 104.2° |
| C8 | C9 | C10 | 106.5° | 106.6° |
| C9 | C8 | H8 | 109.8° | 110.5° |
| C8 | C9 | H91C | 110.2° | 110.0° |
| C8 | C9 | H92C | 110.2° | 110.1° |
| C8 | C12 | C11 | 107.0° | 102.8° |
| C12 | C8 | H8 | 109.8° | 110.6° |
| C8 | C12 | H121 | 110.1° | 110.8° |
| C8 | C12 | H122 | 110.1° | 110.7° |
| C9 | C10 | C11 | 108.0° | 106.6° |
| C10 | C9 | H91C | 110.2° | 110.0° |
| C10 | C9 | H92C | 110.2° | 110.1° |
| C9 | C10 | H101 | 109.9° | 110.1° |
| C9 | C10 | H102 | 109.8° | 110.0° |
| C10 | C11 | C12 | 107.7° | 104.2° |
| C11 | C10 | H101 | 109.9° | 110.1° |
| C11 | C10 | H102 | 109.8° | 110.0° |
| C10 | C11 | H111 | 109.9° | 110.4° |
| C10 | C11 | H112 | 109.9° | 110.5° |
| C11 | C12 | H121 | 110.1° | 110.7° |
| C11 | C12 | H122 | 110.1° | 110.7° |
| C12 | C11 | H111 | 109.9° | 110.5° |
| C12 | C11 | H112 | 109.9° | 110.5° |
| O14 | C13 | N15 | 128.6° | 120.0° |
| C13 | N15 | C16 | 121.1° | 120.0° |
| C13 | N15 | H15 | 119.4° | 119.9° |
| N15 | C16 | C17 | 112.5° | 109.5° |
| N15 | C16 | C21 | 114.1° | 109.5° |
| C16 | N15 | H15 | 119.5° | 120.0° |
| N15 | C16 | H16 | 106.9° | 109.5° |
| C17 | C16 | C21 | 111.3° | 109.5° |
| C16 | C17 | C18 | 111.0° | 109.5° |
| C16 | C17 | C25 | 106.1° | 109.5° |
| C17 | C16 | H16 | 105.7° | 109.5° |
| C16 | C17 | H17 | 110.2° | 109.5° |
| C16 | C21 | C20 | 110.9° | 109.5° |
| C16 | C21 | C22 | 107.2° | 109.5° |
| C21 | C16 | H16 | 105.6° | 109.4° |
| C16 | C21 | H21 | 109.9° | 109.5° |
| C18 | C17 | C25 | 109.0° | 109.5° |
| C17 | C18 | C19 | 110.1° | 109.5° |
| C18 | C17 | H17 | 110.3° | 109.5° |
| C17 | C18 | H181 | 109.3° | 109.4° |
| C17 | C18 | H182 | 109.3° | 109.5° |
| C17 | C25 | C23 | 110.1° | 109.5° |
| C25 | C17 | H17 | 110.2° | 109.4° |
| C17 | C25 | H251 | 109.3° | 109.5° |
| C17 | C25 | H252 | 109.3° | 109.5° |
| C18 | C19 | C20 | 108.6° | 109.4° |
| C18 | C19 | C24 | 109.5° | 109.5° |
| C19 | C18 | H181 | 109.3° | 109.5° |
| C19 | C18 | H182 | 109.3° | 109.5° |
| C18 | C19 | H19 | 109.4° | 109.5° |
| C20 | C19 | C24 | 110.4° | 109.5° |
| C19 | C20 | C21 | 110.0° | 109.5° |
| C20 | C19 | H19 | 109.4° | 109.5° |
| C19 | C20 | H201 | 109.3° | 109.5° |
| C19 | C20 | H202 | 109.4° | 109.5° |
| C19 | C24 | C23 | 108.5° | 109.5° |
| C24 | C19 | H19 | 109.4° | 109.5° |
| C19 | C24 | H241 | 109.7° | 109.5° |
| C19 | C24 | H242 | 109.7° | 109.5° |
| C20 | C21 | C22 | 108.5° | 109.4° |
| C20 | C21 | H21 | 110.1° | 109.5° |
| C21 | C20 | H201 | 109.4° | 109.4° |
| C21 | C20 | H202 | 109.3° | 109.5° |
| C21 | C22 | C23 | 109.3° | 109.5° |
| C22 | C21 | H21 | 110.1° | 109.4° |
| C21 | C22 | H221 | 109.5° | 109.4° |
| C21 | C22 | H222 | 109.5° | 109.5° |
| C22 | C23 | C24 | 109.5° | 109.5° |
| C22 | C23 | C25 | 111.6° | 109.5° |
| C22 | C23 | O26 | 107.4° | 109.5° |
| C23 | C22 | H221 | 109.5° | 109.5° |
| C23 | C22 | H222 | 109.5° | 109.5° |
| C24 | C23 | C25 | 108.3° | 109.5° |
| C24 | C23 | O26 | 113.0° | 109.4° |
| C23 | C24 | H241 | 109.7° | 109.4° |
| C23 | C24 | H242 | 109.7° | 109.5° |
| C25 | C23 | O26 | 107.1° | 109.5° |
| C23 | C25 | H251 | 109.3° | 109.5° |
| C23 | C25 | H252 | 109.3° | 109.4° |
| C23 | O26 | H26 | 109.5° | 114.0° |
| C28 | C27 | C31 | 105.1° | 104.1° |
| C27 | C28 | C29 | 105.0° | 104.1° |
| C28 | C27 | H27 | 108.6° | 110.5° |
| C27 | C28 | H281 | 110.6° | 110.5° |
| C27 | C28 | H282 | 110.6° | 110.6° |
| C27 | C31 | O30 | 105.3° | 104.8° |
| C31 | C27 | H27 | 108.7° | 110.6° |
| C27 | C31 | H311 | 110.5° | 110.4° |
| C27 | C31 | H312 | 110.5° | 110.3° |
| C28 | C29 | O30 | 107.6° | 104.8° |
| C29 | C28 | H281 | 110.6° | 110.5° |
| C29 | C28 | H282 | 110.6° | 110.5° |
| C28 | C29 | H291 | 109.9° | 110.4° |
| C28 | C29 | H292 | 110.0° | 110.4° |
| C29 | O30 | C31 | 108.4° | 105.3° |
| O30 | C29 | H291 | 109.9° | 110.3° |
| O30 | C29 | H292 | 110.0° | 110.3° |
| O30 | C31 | H311 | 110.5° | 110.4° |
| O30 | C31 | H312 | 110.5° | 110.4° |
| H91C | C9 | H92C | 109.4° | 110.1° |
| H121 | C12 | H122 | 109.5° | 110.8° |
| H101 | C10 | H102 | 109.5° | 110.1° |
| H111 | C11 | H112 | 109.5° | 110.5° |
| H181 | C18 | H182 | 109.5° | 109.4° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.4° | 109.5° |
| H221 | C22 | H222 | 109.4° | 109.5° |
| H281 | C28 | H282 | 109.5° | 110.5° |
| H311 | C31 | H312 | 109.5° | 110.5° |
| H291 | C29 | H292 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | N6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C3 | C13 | 179.4° | 180.0° |
| C1 | C2 | C3 | N4 | 0.3° | 0.0° |
| C1 | C2 | C3 | C8 | 178.4° | 179.9° |
| C2 | C1 | N6 | C5 | 0.2° | 0.1° |
| C1 | C2 | C13 | O14 | 53.3° | 173.7° |
| C1 | C2 | C13 | N15 | 125.7° | 6.3° |
| N6 | C1 | C2 | C3 | 0.6° | 0.0° |
| N6 | C1 | C2 | C13 | 179.9° | 180.0° |
| C1 | N6 | C5 | N4 | 1.4° | 0.1° |
| C1 | N6 | C5 | N7 | 178.1° | 180.0° |
| C2 | C3 | N4 | C8 | 178.3° | 180.0° |
| C2 | C3 | N4 | C5 | 1.7° | 0.1° |
| C2 | C3 | C8 | C9 | 109.8° | 96.4° |
| C2 | C3 | C8 | C12 | 131.8° | 148.8° |
| C3 | C2 | C13 | O14 | 126.1° | 6.2° |
| C3 | C2 | C13 | N15 | 54.9° | 173.8° |
| C3 | C2 | C1 | H1 | 179.4° | 179.7° |
| C2 | C3 | C8 | H8 | 11.5° | 26.1° |
| C13 | C2 | C3 | N4 | 179.1° | 180.0° |
| C13 | C2 | C3 | C8 | 1.0° | 0.0° |
| C2 | C13 | O14 | N15 | 178.7° | 180.0° |
| C2 | C13 | N15 | C16 | 175.4° | 180.0° |
| C13 | C2 | C1 | H1 | 0.0° | 0.3° |
| C2 | C13 | N15 | H15 | 4.6° | 0.0° |
| C3 | N4 | C5 | N6 | 2.3° | 0.1° |
| C3 | N4 | C5 | N7 | 179.1° | 180.0° |
| N4 | C3 | C8 | C9 | 72.0° | 83.6° |
| N4 | C3 | C8 | C12 | 46.4° | 31.2° |
| N4 | C3 | C8 | H8 | 166.6° | 153.9° |
| C8 | C3 | N4 | C5 | 180.0° | 179.9° |
| C3 | C8 | C9 | C12 | 118.6° | 118.7° |
| C3 | C8 | C9 | H8 | 121.6° | 122.5° |
| C3 | C8 | C12 | H8 | 120.5° | 122.6° |
| C3 | C8 | C9 | C10 | 135.4° | 142.3° |
| C3 | C8 | C12 | C11 | 132.4° | 156.6° |
| C3 | C8 | C9 | H91C | 15.9° | 23.0° |
| C3 | C8 | C9 | H92C | 105.0° | 98.4° |
| C3 | C8 | C12 | H121 | 108.0° | 85.0° |
| C3 | C8 | C12 | H122 | 12.8° | 38.3° |
| N4 | C5 | N6 | N7 | 176.7° | 179.9° |
| N4 | C5 | N7 | C27 | 74.5° | 179.9° |
| N4 | C5 | N7 | H7 | 46.8° | 0.0° |
| N6 | C5 | N7 | C27 | 108.5° | 0.0° |
| C5 | N6 | C1 | H1 | 179.9° | 179.7° |
| N6 | C5 | N7 | H7 | 130.2° | 180.0° |
| C5 | N7 | C27 | H7 | 121.3° | 180.0° |
| C5 | N7 | C27 | C28 | 17.5° | 155.0° |
| C5 | N7 | C27 | C31 | 135.5° | 90.3° |
| C5 | N7 | C27 | H27 | 107.1° | 32.4° |
| N7 | C27 | C28 | C31 | 118.8° | 118.6° |
| N7 | C27 | C28 | H27 | 125.0° | 122.6° |
| N7 | C27 | C31 | H27 | 117.8° | 122.6° |
| N7 | C27 | C28 | C29 | 132.3° | 118.7° |
| N7 | C27 | C31 | O30 | 152.6° | 142.6° |
| N7 | C27 | C28 | H281 | 108.3° | 122.7° |
| N7 | C27 | C28 | H282 | 13.0° | 0.0° |
| N7 | C27 | C31 | H311 | 33.2° | 23.8° |
| N7 | C27 | C31 | H312 | 88.1° | 98.5° |
| C9 | C8 | C12 | H8 | 119.8° | 118.7° |
| C8 | C9 | C10 | H91C | 119.5° | 119.2° |
| C8 | C9 | C10 | H92C | 119.6° | 119.4° |
| C8 | C9 | C10 | C11 | 14.4° | 0.1° |
| C9 | C8 | C12 | C11 | 12.7° | 37.9° |
| C8 | C9 | H91C | H92C | 121.4° | 121.4° |
| C9 | C8 | C12 | H121 | 132.3° | 156.2° |
| C9 | C8 | C12 | H122 | 106.9° | 80.4° |
| C8 | C9 | C10 | H101 | 134.2° | 119.2° |
| C8 | C9 | C10 | H102 | 105.3° | 119.3° |
| C12 | C8 | C9 | C10 | 16.8° | 23.5° |
| C8 | C12 | C11 | C10 | 3.7° | 38.0° |
| C8 | C12 | C11 | H121 | 119.6° | 118.4° |
| C8 | C12 | C11 | H122 | 119.6° | 118.3° |
| C12 | C8 | C9 | H91C | 102.7° | 95.7° |
| C12 | C8 | C9 | H92C | 136.4° | 142.9° |
| C8 | C12 | H121 | H122 | 121.1° | 123.3° |
| C8 | C12 | C11 | H111 | 123.4° | 156.6° |
| C8 | C12 | C11 | H112 | 116.0° | 80.7° |
| C9 | C10 | C11 | H101 | 119.8° | 119.3° |
| C9 | C10 | C11 | H102 | 119.8° | 119.2° |
| C9 | C10 | C11 | C12 | 6.7° | 23.7° |
| C10 | C9 | C8 | H8 | 103.0° | 95.2° |
| C10 | C9 | H91C | H92C | 121.4° | 121.4° |
| C9 | C10 | H101 | H102 | 120.7° | 121.4° |
| C9 | C10 | C11 | H111 | 113.0° | 142.4° |
| C9 | C10 | C11 | H112 | 126.4° | 95.0° |
| C10 | C11 | C12 | H111 | 119.7° | 118.6° |
| C10 | C11 | C12 | H112 | 119.7° | 118.7° |
| C11 | C10 | C9 | H91C | 105.1° | 119.3° |
| C11 | C10 | C9 | H92C | 134.0° | 119.3° |
| C10 | C11 | C12 | H121 | 123.3° | 156.3° |
| C10 | C11 | C12 | H122 | 115.9° | 80.3° |
| C11 | C10 | H101 | H102 | 120.7° | 121.4° |
| C10 | C11 | H111 | H112 | 120.8° | 122.6° |
| C11 | C12 | C8 | H8 | 107.1° | 80.8° |
| C11 | C12 | H121 | H122 | 121.2° | 123.3° |
| C12 | C11 | C10 | H101 | 126.5° | 95.6° |
| C12 | C11 | C10 | H102 | 113.1° | 142.9° |
| C12 | C11 | H111 | H112 | 120.8° | 122.6° |
| O14 | C13 | N15 | C16 | 3.4° | 0.0° |
| O14 | C13 | N15 | H15 | 176.6° | 180.0° |
| C13 | N15 | C16 | H15 | 180.0° | 180.0° |
| C13 | N15 | C16 | C17 | 148.7° | 155.0° |
| C13 | N15 | C16 | C21 | 83.2° | 85.0° |
| C13 | N15 | C16 | H16 | 33.2° | 35.0° |
| N15 | C16 | C17 | C21 | 129.5° | 120.0° |
| N15 | C16 | C17 | H16 | 116.3° | 120.1° |
| N15 | C16 | C21 | H16 | 117.1° | 120.0° |
| N15 | C16 | C17 | C18 | 75.3° | 60.0° |
| N15 | C16 | C17 | C25 | 166.5° | 180.0° |
| N15 | C16 | C21 | C20 | 74.5° | 60.0° |
| N15 | C16 | C21 | C22 | 167.1° | 180.0° |
| N15 | C16 | C17 | H17 | 47.1° | 60.0° |
| N15 | C16 | C21 | H21 | 47.4° | 60.0° |
| C17 | C16 | C21 | H16 | 114.3° | 120.0° |
| C16 | C17 | C18 | C25 | 116.4° | 120.0° |
| C16 | C17 | C18 | H17 | 122.4° | 120.0° |
| C16 | C17 | C25 | H17 | 119.3° | 120.0° |
| C16 | C17 | C18 | C19 | 58.1° | 60.0° |
| C17 | C16 | C21 | C20 | 54.1° | 60.0° |
| C17 | C16 | C21 | C22 | 64.3° | 60.0° |
| C16 | C17 | C25 | C23 | 59.5° | 60.0° |
| C17 | C16 | N15 | H15 | 31.3° | 25.0° |
| C17 | C16 | C21 | H21 | 176.0° | 180.0° |
| C16 | C17 | C18 | H181 | 62.0° | 60.0° |
| C16 | C17 | C18 | H182 | 178.2° | 179.9° |
| C16 | C17 | C25 | H251 | 179.6° | 180.0° |
| C16 | C17 | C25 | H252 | 60.6° | 59.9° |
| C21 | C16 | C17 | C18 | 54.2° | 60.0° |
| C21 | C16 | C17 | C25 | 64.1° | 60.0° |
| C16 | C21 | C20 | C19 | 57.7° | 60.0° |
| C16 | C21 | C20 | C22 | 117.5° | 120.0° |
| C16 | C21 | C20 | H21 | 121.9° | 120.1° |
| C16 | C21 | C22 | H21 | 119.6° | 120.1° |
| C16 | C21 | C22 | C23 | 58.5° | 59.9° |
| C21 | C16 | N15 | H15 | 96.8° | 95.0° |
| C21 | C16 | C17 | H17 | 176.6° | 180.0° |
| C16 | C21 | C20 | H201 | 62.3° | 60.0° |
| C16 | C21 | C20 | H202 | 177.8° | 180.0° |
| C16 | C21 | C22 | H221 | 61.5° | 60.0° |
| C16 | C21 | C22 | H222 | 178.5° | 180.0° |
| C18 | C17 | C25 | H17 | 121.2° | 120.0° |
| C17 | C18 | C19 | H181 | 120.1° | 120.0° |
| C17 | C18 | C19 | H182 | 120.1° | 120.0° |
| C17 | C18 | C19 | C20 | 61.2° | 60.0° |
| C17 | C18 | C19 | C24 | 59.5° | 60.0° |
| C18 | C17 | C25 | C23 | 60.0° | 60.0° |
| C18 | C17 | C16 | H16 | 168.4° | 179.9° |
| C17 | C18 | H181 | H182 | 119.7° | 120.0° |
| C18 | C17 | C25 | H251 | 60.1° | 60.0° |
| C18 | C17 | C25 | H252 | 179.9° | 180.0° |
| C17 | C18 | C19 | H19 | 179.5° | 180.0° |
| C25 | C17 | C18 | C19 | 58.4° | 60.0° |
| C17 | C25 | C23 | C22 | 58.5° | 60.0° |
| C17 | C25 | C23 | C24 | 62.1° | 60.0° |
| C17 | C25 | C23 | H251 | 120.1° | 120.0° |
| C17 | C25 | C23 | H252 | 120.1° | 120.0° |
| C17 | C25 | C23 | O26 | 175.8° | 180.0° |
| C25 | C17 | C16 | H16 | 50.2° | 59.9° |
| C25 | C17 | C18 | H181 | 178.4° | 180.0° |
| C25 | C17 | C18 | H182 | 61.7° | 60.0° |
| C17 | C25 | H251 | H252 | 119.7° | 120.0° |
| C18 | C19 | C20 | C24 | 120.1° | 120.0° |
| C18 | C19 | C20 | H19 | 119.4° | 120.0° |
| C18 | C19 | C24 | H19 | 120.0° | 120.0° |
| C18 | C19 | C20 | C21 | 61.0° | 60.0° |
| C18 | C19 | C24 | C23 | 61.0° | 60.0° |
| C19 | C18 | C17 | H17 | 179.5° | 180.0° |
| C19 | C18 | H181 | H182 | 119.7° | 120.0° |
| C18 | C19 | C20 | H201 | 59.1° | 60.0° |
| C18 | C19 | C20 | H202 | 178.9° | 180.0° |
| C18 | C19 | C24 | H241 | 179.1° | 179.9° |
| C18 | C19 | C24 | H242 | 58.8° | 60.0° |
| C20 | C19 | C24 | H19 | 120.5° | 120.0° |
| C19 | C20 | C21 | H201 | 120.1° | 120.0° |
| C19 | C20 | C21 | H202 | 120.1° | 120.0° |
| C19 | C20 | C21 | C22 | 59.8° | 60.0° |
| C20 | C19 | C24 | C23 | 58.5° | 59.9° |
| C19 | C20 | C21 | H21 | 179.6° | 179.9° |
| C20 | C19 | C18 | H181 | 58.9° | 60.0° |
| C20 | C19 | C18 | H182 | 178.7° | 180.0° |
| C19 | C20 | H201 | H202 | 119.8° | 120.0° |
| C20 | C19 | C24 | H241 | 61.3° | 60.0° |
| C20 | C19 | C24 | H242 | 178.4° | 180.0° |
| C24 | C19 | C20 | C21 | 59.1° | 60.0° |
| C19 | C24 | C23 | C22 | 60.0° | 60.0° |
| C19 | C24 | C23 | H241 | 119.9° | 119.9° |
| C19 | C24 | C23 | H242 | 119.9° | 120.0° |
| C19 | C24 | C23 | C25 | 61.9° | 60.0° |
| C19 | C24 | C23 | O26 | 179.6° | 180.0° |
| C24 | C19 | C18 | H181 | 179.6° | 180.0° |
| C24 | C19 | C18 | H182 | 60.6° | 60.0° |
| C24 | C19 | C20 | H201 | 179.2° | 180.0° |
| C24 | C19 | C20 | H202 | 61.0° | 60.0° |
| C19 | C24 | H241 | H242 | 120.4° | 120.0° |
| C20 | C21 | C22 | H21 | 120.5° | 120.0° |
| C20 | C21 | C22 | C23 | 61.4° | 60.1° |
| C20 | C21 | C16 | H16 | 168.4° | 180.0° |
| C21 | C20 | C19 | H19 | 179.6° | 180.0° |
| C21 | C20 | H201 | H202 | 119.8° | 120.0° |
| C20 | C21 | C22 | H221 | 178.6° | 180.0° |
| C20 | C21 | C22 | H222 | 58.6° | 60.0° |
| C21 | C22 | C23 | H221 | 120.0° | 119.9° |
| C21 | C22 | C23 | H222 | 120.0° | 120.1° |
| C21 | C22 | C23 | C24 | 62.3° | 60.1° |
| C21 | C22 | C23 | C25 | 57.6° | 59.9° |
| C21 | C22 | C23 | O26 | 174.7° | 180.0° |
| C22 | C21 | C16 | H16 | 50.0° | 60.0° |
| C22 | C21 | C20 | H201 | 179.9° | 180.0° |
| C22 | C21 | C20 | H202 | 60.3° | 60.0° |
| C21 | C22 | H221 | H222 | 120.1° | 120.0° |
| C22 | C23 | C24 | C25 | 121.9° | 120.0° |
| C22 | C23 | C24 | O26 | 119.6° | 120.0° |
| C22 | C23 | C25 | O26 | 117.2° | 120.0° |
| C23 | C22 | C21 | H21 | 178.1° | 180.0° |
| C22 | C23 | C25 | H251 | 178.7° | 180.0° |
| C22 | C23 | C25 | H252 | 61.5° | 60.0° |
| C22 | C23 | C24 | H241 | 59.9° | 59.9° |
| C22 | C23 | C24 | H242 | 179.9° | 180.0° |
| C23 | C22 | H221 | H222 | 120.1° | 120.0° |
| C22 | C23 | O26 | H26 | 180.0° | 180.0° |
| C24 | C23 | C25 | O26 | 122.1° | 119.9° |
| C24 | C23 | C25 | H251 | 58.0° | 60.0° |
| C24 | C23 | C25 | H252 | 177.8° | 180.0° |
| C23 | C24 | C19 | H19 | 179.0° | 180.0° |
| C23 | C24 | H241 | H242 | 120.4° | 120.0° |
| C24 | C23 | C22 | H221 | 177.7° | 180.0° |
| C24 | C23 | C22 | H222 | 57.7° | 60.0° |
| C24 | C23 | O26 | H26 | 59.2° | 60.1° |
| C23 | C25 | C17 | H17 | 178.8° | 180.0° |
| C23 | C25 | H251 | H252 | 119.7° | 119.9° |
| C25 | C23 | C24 | H241 | 178.2° | 180.0° |
| C25 | C23 | C24 | H242 | 57.9° | 60.0° |
| C25 | C23 | C22 | H221 | 62.4° | 60.0° |
| C25 | C23 | C22 | H222 | 177.6° | 180.0° |
| C25 | C23 | O26 | H26 | 60.0° | 59.9° |
| O26 | C23 | C25 | H251 | 64.1° | 59.9° |
| O26 | C23 | C25 | H252 | 55.7° | 60.1° |
| O26 | C23 | C24 | H241 | 59.7° | 60.1° |
| O26 | C23 | C24 | H242 | 60.5° | 60.0° |
| O26 | C23 | C22 | H221 | 54.7° | 60.1° |
| O26 | C23 | C22 | H222 | 65.3° | 60.0° |
| C28 | C27 | C31 | H27 | 116.1° | 118.7° |
| C27 | C28 | C29 | H281 | 119.3° | 118.6° |
| C27 | C28 | C29 | H282 | 119.3° | 118.7° |
| C27 | C28 | C29 | O30 | 4.2° | 24.0° |
| C28 | C27 | C31 | O30 | 26.5° | 24.0° |
| C28 | C27 | N7 | H7 | 103.8° | 25.0° |
| C27 | C28 | H281 | H282 | 122.0° | 122.7° |
| C28 | C27 | C31 | H311 | 92.8° | 94.8° |
| C28 | C27 | C31 | H312 | 145.8° | 142.8° |
| C27 | C28 | C29 | H291 | 123.8° | 142.7° |
| C27 | C28 | C29 | H292 | 115.6° | 94.8° |
| C31 | C27 | C28 | C29 | 13.6° | 0.0° |
| C27 | C31 | O30 | C29 | 30.1° | 40.5° |
| C27 | C31 | O30 | H311 | 119.3° | 118.8° |
| C27 | C31 | O30 | H312 | 119.4° | 118.8° |
| C31 | C27 | N7 | H7 | 14.1° | 89.6° |
| C31 | C27 | C28 | H281 | 132.9° | 118.7° |
| C31 | C27 | C28 | H282 | 105.7° | 118.7° |
| C27 | C31 | H311 | H312 | 122.0° | 122.3° |
| C28 | C29 | O30 | H291 | 119.7° | 118.8° |
| C28 | C29 | O30 | H292 | 119.7° | 118.8° |
| C28 | C29 | O30 | C31 | 21.5° | 40.5° |
| C29 | C28 | C27 | H27 | 102.7° | 118.8° |
| C29 | C28 | H281 | H282 | 122.1° | 122.6° |
| C28 | C29 | H291 | H292 | 120.9° | 122.4° |
| O30 | C29 | C28 | H281 | 115.1° | 94.7° |
| O30 | C29 | C28 | H282 | 123.4° | 142.7° |
| C29 | O30 | C31 | H311 | 89.3° | 78.3° |
| C29 | O30 | C31 | H312 | 149.4° | 159.3° |
| O30 | C29 | H291 | H292 | 120.9° | 122.3° |
| O30 | C31 | C27 | H27 | 89.6° | 94.7° |
| O30 | C31 | H311 | H312 | 121.9° | 122.4° |
| C31 | O30 | C29 | H291 | 141.2° | 159.4° |
| C31 | O30 | C29 | H292 | 98.2° | 78.3° |
| H8 | C8 | C9 | H91C | 137.4° | 145.5° |
| H8 | C8 | C9 | H92C | 16.6° | 24.1° |
| H8 | C8 | C12 | H121 | 12.5° | 37.5° |
| H8 | C8 | C12 | H122 | 133.2° | 160.9° |
| H7 | N7 | C27 | H27 | 131.6° | 147.6° |
| H27 | C27 | C28 | H281 | 16.7° | 0.1° |
| H27 | C27 | C28 | H282 | 138.0° | 122.5° |
| H27 | C27 | C31 | H311 | 151.0° | 146.5° |
| H27 | C27 | C31 | H312 | 29.7° | 24.1° |
| H91C | C9 | C10 | H101 | 14.6° | 0.0° |
| H91C | C9 | C10 | H102 | 135.1° | 121.5° |
| H92C | C9 | C10 | H101 | 106.2° | 121.4° |
| H92C | C9 | C10 | H102 | 14.2° | 0.1° |
| H121 | C12 | C11 | H111 | 117.0° | 85.0° |
| H121 | C12 | C11 | H112 | 3.6° | 37.6° |
| H122 | C12 | C11 | H111 | 3.8° | 38.3° |
| H122 | C12 | C11 | H112 | 124.4° | 161.0° |
| H101 | C10 | C11 | H111 | 6.8° | 23.0° |
| H101 | C10 | C11 | H112 | 113.8° | 145.7° |
| H102 | C10 | C11 | H111 | 127.2° | 98.4° |
| H102 | C10 | C11 | H112 | 6.7° | 24.2° |
| H15 | N15 | C16 | H16 | 146.8° | 145.1° |
| H16 | C16 | C17 | H17 | 69.1° | 60.1° |
| H16 | C16 | C21 | H21 | 69.6° | 60.0° |
| H17 | C17 | C18 | H181 | 60.4° | 60.0° |
| H17 | C17 | C18 | H182 | 59.4° | 59.9° |
| H17 | C17 | C25 | H251 | 61.1° | 60.0° |
| H17 | C17 | C25 | H252 | 58.7° | 60.0° |
| H21 | C21 | C20 | H201 | 59.5° | 60.1° |
| H21 | C21 | C20 | H202 | 60.3° | 59.9° |
| H21 | C21 | C22 | H221 | 58.1° | 60.1° |
| H21 | C21 | C22 | H222 | 61.9° | 60.0° |
| H181 | C18 | C19 | H19 | 60.5° | 60.0° |
| H182 | C18 | C19 | H19 | 59.3° | 60.0° |
| H19 | C19 | C20 | H201 | 60.3° | 60.0° |
| H19 | C19 | C20 | H202 | 59.5° | 60.0° |
| H19 | C19 | C24 | H241 | 59.1° | 60.1° |
| H19 | C19 | C24 | H242 | 61.1° | 60.0° |
| H281 | C28 | C29 | H291 | 4.5° | 24.1° |
| H281 | C28 | C29 | H292 | 125.1° | 146.5° |
| H282 | C28 | C29 | H291 | 116.9° | 98.6° |
| H282 | C28 | C29 | H292 | 3.7° | 23.9° |
