UR2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | O4P | sing | 1.36Å | 1.40Å | |
| C10 | C9 | sing | 1.51Å | 1.55Å | |
| C10 | O11 | sing | 1.34Å | 1.34Å | |
| C10 | O12 | doub | 1.21Å | 1.19Å | |
| C13 | N15 | sing | 1.35Å | 1.33Å | |
| C13 | N8 | sing | 1.35Å | 1.38Å | |
| C13 | O14 | doub | 1.22Å | 1.22Å | |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C16 | C22 | sing | 1.51Å | 1.56Å | |
| C16 | N15 | sing | 1.46Å | 1.47Å | |
| C16 | H16 | sing | 1.09Å | 1.12Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | H171 | sing | 1.09Å | 1.12Å | |
| C17 | H172 | sing | 1.09Å | 1.12Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C19 | O20 | doub | 1.21Å | 1.22Å | |
| C19 | O21 | sing | 1.34Å | 1.23Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C22 | N24 | sing | 1.35Å | 1.37Å | |
| C22 | O23 | doub | 1.21Å | 1.22Å | |
| C25 | N24 | sing | 1.46Å | 1.47Å | |
| C25 | H251 | sing | 1.09Å | 1.12Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C25 | H253 | sing | 1.09Å | 1.11Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | N24 | sing | 1.47Å | 1.47Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C27 | H271 | sing | 1.09Å | 1.12Å | |
| C27 | H272 | sing | 1.09Å | 1.11Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C29 | C34 | sing | 1.53Å | 1.53Å | |
| C29 | H29 | sing | 1.09Å | 1.11Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | H301 | sing | 1.09Å | 1.12Å | |
| C30 | H302 | sing | 1.09Å | 1.11Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.11Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| C33 | C34 | sing | 1.53Å | 1.52Å | |
| C33 | H331 | sing | 1.09Å | 1.12Å | |
| C33 | H332 | sing | 1.09Å | 1.11Å | |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| C34 | H342 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C4 | C7 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | N8 | sing | 1.47Å | 1.47Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C9 | N8 | sing | 1.46Å | 1.49Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| N15 | HN5 | sing | 0.97Å | 1.02Å | |
| O11 | HO1 | sing | 0.97Å | 0.95Å | |
| O1P | P | doub | 1.48Å | 1.53Å | |
| O21 | HO2 | sing | 0.97Å | 0.95Å | |
| O2P | P | sing | 1.61Å | 1.53Å | |
| O2P | HOP2 | sing | 0.97Å | 0.95Å | |
| O3P | P | sing | 1.61Å | 1.53Å | |
| O3P | HOP3 | sing | 0.97Å | 0.95Å | |
| O4P | P | sing | 1.61Å | 1.55Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.5° | 119.9° |
| C2 | C1 | O4P | 120.4° | 120.0° |
| C1 | C2 | C3 | 119.2° | 119.9° |
| C1 | C2 | H2 | 120.1° | 120.1° |
| C6 | C1 | O4P | 118.0° | 120.2° |
| C1 | C6 | C5 | 119.4° | 120.0° |
| C1 | C6 | H6 | 119.5° | 120.0° |
| C1 | O4P | P | 121.2° | 106.8° |
| C9 | C10 | O11 | 109.6° | 120.0° |
| C9 | C10 | O12 | 128.6° | 120.0° |
| C10 | C9 | N8 | 118.0° | 109.5° |
| C10 | C9 | H91 | 109.2° | 109.4° |
| C10 | C9 | H92 | 109.2° | 109.5° |
| O11 | C10 | O12 | 121.7° | 120.0° |
| C10 | O11 | HO1 | 109.6° | 120.0° |
| N15 | C13 | N8 | 118.0° | 120.0° |
| N15 | C13 | O14 | 120.3° | 120.0° |
| C13 | N15 | C16 | 121.3° | 120.1° |
| C13 | N15 | HN5 | 108.0° | 119.9° |
| N8 | C13 | O14 | 121.7° | 120.0° |
| C13 | N8 | C7 | 125.7° | 120.0° |
| C13 | N8 | C9 | 116.8° | 120.0° |
| C17 | C16 | C22 | 108.1° | 109.5° |
| C17 | C16 | N15 | 107.8° | 109.5° |
| C17 | C16 | H16 | 112.2° | 109.4° |
| C16 | C17 | C18 | 116.0° | 109.5° |
| C16 | C17 | H171 | 109.9° | 109.5° |
| C16 | C17 | H172 | 109.9° | 109.5° |
| C22 | C16 | N15 | 111.7° | 109.5° |
| C22 | C16 | H16 | 108.3° | 109.5° |
| C16 | C22 | N24 | 122.4° | 120.0° |
| C16 | C22 | O23 | 118.1° | 120.0° |
| N15 | C16 | H16 | 108.7° | 109.4° |
| C16 | N15 | HN5 | 108.0° | 120.0° |
| C18 | C17 | H171 | 109.9° | 109.5° |
| C18 | C17 | H172 | 109.8° | 109.5° |
| C17 | C18 | C19 | 113.4° | 109.5° |
| C17 | C18 | H181 | 110.8° | 109.5° |
| C17 | C18 | H182 | 110.7° | 109.4° |
| H171 | C17 | H172 | 100.3° | 109.4° |
| C19 | C18 | H181 | 110.8° | 109.5° |
| C19 | C18 | H182 | 110.8° | 109.5° |
| C18 | C19 | O20 | 117.1° | 120.0° |
| C18 | C19 | O21 | 119.4° | 120.0° |
| H181 | C18 | H182 | 99.5° | 109.5° |
| O20 | C19 | O21 | 123.6° | 120.0° |
| C19 | O21 | HO2 | 119.4° | 120.0° |
| C3 | C2 | H2 | 120.7° | 120.0° |
| C2 | C3 | C4 | 120.5° | 120.1° |
| C2 | C3 | H3 | 119.7° | 119.9° |
| N24 | C22 | O23 | 119.4° | 120.0° |
| C22 | N24 | C25 | 115.0° | 120.0° |
| C22 | N24 | C26 | 124.9° | 120.0° |
| N24 | C25 | H251 | 115.0° | 109.5° |
| N24 | C25 | H252 | 110.2° | 109.5° |
| N24 | C25 | H253 | 110.2° | 109.4° |
| C25 | N24 | C26 | 119.9° | 120.0° |
| H251 | C25 | H252 | 110.1° | 109.5° |
| H251 | C25 | H253 | 110.2° | 109.4° |
| H252 | C25 | H253 | 100.1° | 109.5° |
| C27 | C26 | N24 | 116.7° | 109.5° |
| C27 | C26 | H261 | 109.6° | 109.4° |
| C27 | C26 | H262 | 109.5° | 109.5° |
| C26 | C27 | C28 | 112.0° | 109.5° |
| C26 | C27 | H271 | 111.3° | 109.4° |
| C26 | C27 | H272 | 111.3° | 109.5° |
| N24 | C26 | H261 | 109.6° | 109.5° |
| N24 | C26 | H262 | 109.6° | 109.5° |
| H261 | C26 | H262 | 100.6° | 109.5° |
| C28 | C27 | H271 | 111.2° | 109.5° |
| C28 | C27 | H272 | 111.3° | 109.5° |
| C27 | C28 | C29 | 114.5° | 109.5° |
| C27 | C28 | H281 | 110.4° | 109.4° |
| C27 | C28 | H282 | 110.4° | 109.5° |
| H271 | C27 | H272 | 99.1° | 109.4° |
| C29 | C28 | H281 | 110.4° | 109.5° |
| C29 | C28 | H282 | 110.4° | 109.5° |
| C28 | C29 | C30 | 111.9° | 109.5° |
| C28 | C29 | C34 | 110.8° | 109.5° |
| C28 | C29 | H29 | 106.9° | 109.5° |
| H281 | C28 | H282 | 99.9° | 109.4° |
| C30 | C29 | C34 | 109.5° | 109.5° |
| C30 | C29 | H29 | 108.3° | 109.5° |
| C29 | C30 | C31 | 112.1° | 109.5° |
| C29 | C30 | H301 | 111.3° | 109.5° |
| C29 | C30 | H302 | 111.3° | 109.5° |
| C34 | C29 | H29 | 109.4° | 109.5° |
| C29 | C34 | C33 | 110.8° | 109.5° |
| C29 | C34 | H341 | 111.8° | 109.5° |
| C29 | C34 | H342 | 111.7° | 109.5° |
| C4 | C3 | H3 | 119.8° | 120.0° |
| C3 | C4 | C5 | 119.2° | 120.1° |
| C3 | C4 | C7 | 119.2° | 120.0° |
| C31 | C30 | H301 | 111.2° | 109.4° |
| C31 | C30 | H302 | 111.3° | 109.5° |
| C30 | C31 | C32 | 112.7° | 109.4° |
| C30 | C31 | H311 | 111.0° | 109.5° |
| C30 | C31 | H312 | 111.0° | 109.5° |
| H301 | C30 | H302 | 99.1° | 109.5° |
| C32 | C31 | H311 | 111.0° | 109.5° |
| C32 | C31 | H312 | 111.0° | 109.4° |
| C31 | C32 | C33 | 110.1° | 109.4° |
| C31 | C32 | H321 | 112.0° | 109.5° |
| C31 | C32 | H322 | 112.0° | 109.5° |
| H311 | C31 | H312 | 99.4° | 109.5° |
| C33 | C32 | H321 | 111.9° | 109.4° |
| C33 | C32 | H322 | 111.9° | 109.6° |
| C32 | C33 | C34 | 110.5° | 109.5° |
| C32 | C33 | H331 | 111.8° | 109.5° |
| C32 | C33 | H332 | 111.9° | 109.4° |
| H321 | C32 | H322 | 98.4° | 109.5° |
| C34 | C33 | H331 | 111.8° | 109.5° |
| C34 | C33 | H332 | 111.8° | 109.5° |
| C33 | C34 | H341 | 111.7° | 109.5° |
| C33 | C34 | H342 | 111.7° | 109.4° |
| H331 | C33 | H332 | 98.6° | 109.4° |
| H341 | C34 | H342 | 98.7° | 109.5° |
| C5 | C4 | C7 | 121.6° | 119.9° |
| C4 | C5 | C6 | 120.1° | 120.1° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| C4 | C7 | N8 | 112.8° | 109.4° |
| C4 | C7 | H71 | 111.0° | 109.5° |
| C4 | C7 | H72 | 110.9° | 109.5° |
| C6 | C5 | H5 | 119.9° | 119.9° |
| C5 | C6 | H6 | 121.1° | 120.1° |
| N8 | C7 | H71 | 111.0° | 109.5° |
| N8 | C7 | H72 | 111.0° | 109.5° |
| C7 | N8 | C9 | 117.5° | 120.0° |
| H71 | C7 | H72 | 99.4° | 109.5° |
| N8 | C9 | H91 | 109.1° | 109.4° |
| N8 | C9 | H92 | 109.1° | 109.5° |
| H91 | C9 | H92 | 101.0° | 109.5° |
| O1P | P | O2P | 110.3° | 109.4° |
| O1P | P | O3P | 114.6° | 109.5° |
| O1P | P | O4P | 108.9° | 109.5° |
| P | O2P | HOP2 | 110.3° | 106.8° |
| O2P | P | O3P | 113.4° | 109.5° |
| O2P | P | O4P | 102.0° | 109.5° |
| P | O3P | HOP3 | 114.6° | 106.8° |
| O3P | P | O4P | 106.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | O4P | 176.0° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.5° | 0.0° |
| C1 | C2 | C3 | H3 | 179.6° | 180.0° |
| C2 | C1 | C6 | C5 | 1.9° | 0.2° |
| C2 | C1 | C6 | H6 | 178.2° | 180.0° |
| C2 | C1 | O4P | P | 77.8° | 90.0° |
| C6 | C1 | C2 | C3 | 1.2° | 0.0° |
| C6 | C1 | C2 | H2 | 178.8° | 179.9° |
| C1 | C6 | C5 | C4 | 0.8° | 0.5° |
| C1 | C6 | C5 | H6 | 180.0° | 179.7° |
| C1 | C6 | C5 | H5 | 179.2° | 180.0° |
| C6 | C1 | O4P | P | 106.2° | 90.0° |
| O4P | C1 | C2 | C3 | 174.7° | 180.0° |
| O4P | C1 | C2 | H2 | 5.3° | 0.1° |
| O4P | C1 | C6 | C5 | 174.1° | 179.7° |
| O4P | C1 | C6 | H6 | 5.8° | 0.0° |
| C1 | O4P | P | O1P | 63.2° | 60.0° |
| C1 | O4P | P | O2P | 179.8° | 179.9° |
| C1 | O4P | P | O3P | 61.0° | 60.1° |
| C9 | C10 | O11 | O12 | 178.8° | 180.0° |
| C10 | C9 | N8 | C13 | 95.2° | 60.0° |
| C10 | C9 | N8 | C7 | 85.4° | 119.9° |
| C10 | C9 | N8 | H91 | 125.3° | 119.9° |
| C10 | C9 | N8 | H92 | 125.3° | 120.0° |
| C10 | C9 | H91 | H92 | 114.9° | 120.0° |
| C9 | C10 | O11 | HO1 | 180.0° | 180.0° |
| O11 | C10 | C9 | N8 | 178.5° | 180.0° |
| O11 | C10 | C9 | H91 | 53.2° | 60.0° |
| O11 | C10 | C9 | H92 | 56.3° | 60.0° |
| O12 | C10 | C9 | N8 | 2.8° | 0.0° |
| O12 | C10 | C9 | H91 | 128.0° | 120.0° |
| O12 | C10 | C9 | H92 | 122.4° | 120.0° |
| O12 | C10 | O11 | HO1 | 1.1° | 0.0° |
| N15 | C13 | N8 | O14 | 177.0° | 180.0° |
| C13 | N15 | C16 | C17 | 161.1° | 89.9° |
| C13 | N15 | C16 | C22 | 80.3° | 150.0° |
| C13 | N15 | C16 | HN5 | 125.3° | 180.0° |
| C13 | N15 | C16 | H16 | 39.2° | 30.0° |
| N15 | C13 | N8 | C7 | 7.5° | 180.0° |
| N15 | C13 | N8 | C9 | 171.8° | 0.0° |
| N8 | C13 | N15 | C16 | 179.5° | 180.0° |
| C13 | N8 | C7 | C4 | 116.9° | 90.0° |
| C13 | N8 | C7 | C9 | 179.3° | 180.0° |
| C13 | N8 | C7 | H71 | 117.8° | 150.0° |
| C13 | N8 | C7 | H72 | 8.3° | 29.9° |
| C13 | N8 | C9 | H91 | 139.6° | 180.0° |
| C13 | N8 | C9 | H92 | 30.1° | 60.0° |
| N8 | C13 | N15 | HN5 | 54.2° | 0.0° |
| O14 | C13 | N15 | C16 | 2.4° | 0.0° |
| O14 | C13 | N8 | C7 | 175.5° | 0.1° |
| O14 | C13 | N8 | C9 | 5.2° | 180.0° |
| O14 | C13 | N15 | HN5 | 122.8° | 180.0° |
| C17 | C16 | C22 | N15 | 118.4° | 120.0° |
| C17 | C16 | C22 | H16 | 121.8° | 120.0° |
| C17 | C16 | N15 | H16 | 121.8° | 119.9° |
| C16 | C17 | C18 | H171 | 125.3° | 120.1° |
| C16 | C17 | C18 | H172 | 125.3° | 120.0° |
| C16 | C17 | H171 | H172 | 115.7° | 120.0° |
| C16 | C17 | C18 | C19 | 49.4° | 180.0° |
| C16 | C17 | C18 | H181 | 75.9° | 60.0° |
| C16 | C17 | C18 | H182 | 174.7° | 60.0° |
| C17 | C16 | C22 | N24 | 84.3° | 76.1° |
| C17 | C16 | C22 | O23 | 94.3° | 103.9° |
| C17 | C16 | N15 | HN5 | 73.7° | 90.0° |
| C22 | C16 | N15 | H16 | 119.5° | 120.0° |
| C22 | C16 | C17 | C18 | 177.6° | 174.7° |
| C22 | C16 | C17 | H171 | 52.3° | 65.3° |
| C22 | C16 | C17 | H172 | 57.2° | 54.7° |
| C16 | C22 | N24 | O23 | 178.6° | 180.0° |
| C16 | C22 | N24 | C25 | 169.4° | 5.4° |
| C16 | C22 | N24 | C26 | 16.3° | 174.5° |
| C22 | C16 | N15 | HN5 | 45.0° | 30.0° |
| N15 | C16 | C17 | C18 | 56.6° | 65.3° |
| N15 | C16 | C17 | H171 | 68.7° | 54.8° |
| N15 | C16 | C17 | H172 | 178.1° | 174.7° |
| N15 | C16 | C22 | N24 | 157.2° | 163.9° |
| N15 | C16 | C22 | O23 | 24.1° | 16.1° |
| H16 | C16 | C17 | C18 | 63.0° | 54.6° |
| H16 | C16 | C17 | H171 | 171.7° | 174.7° |
| H16 | C16 | C17 | H172 | 62.2° | 65.4° |
| H16 | C16 | C22 | N24 | 37.5° | 43.9° |
| H16 | C16 | C22 | O23 | 143.8° | 136.1° |
| H16 | C16 | N15 | HN5 | 164.5° | 150.0° |
| C18 | C17 | H171 | H172 | 115.6° | 120.0° |
| C17 | C18 | C19 | H181 | 125.3° | 120.0° |
| C17 | C18 | C19 | H182 | 125.2° | 120.0° |
| C17 | C18 | H181 | H182 | 116.6° | 120.0° |
| C17 | C18 | C19 | O20 | 138.5° | 0.0° |
| C17 | C18 | C19 | O21 | 40.8° | 180.0° |
| H171 | C17 | C18 | C19 | 174.7° | 60.0° |
| H171 | C17 | C18 | H181 | 49.4° | 180.0° |
| H171 | C17 | C18 | H182 | 60.0° | 60.0° |
| H172 | C17 | C18 | C19 | 75.9° | 60.0° |
| H172 | C17 | C18 | H181 | 158.8° | 60.0° |
| H172 | C17 | C18 | H182 | 49.4° | 180.0° |
| C19 | C18 | H181 | H182 | 116.6° | 120.0° |
| C18 | C19 | O20 | O21 | 179.3° | 180.0° |
| C18 | C19 | O21 | HO2 | 180.0° | 180.0° |
| H181 | C18 | C19 | O20 | 13.2° | 120.0° |
| H181 | C18 | C19 | O21 | 166.1° | 60.0° |
| H182 | C18 | C19 | O20 | 96.3° | 120.0° |
| H182 | C18 | C19 | O21 | 84.4° | 60.0° |
| O20 | C19 | O21 | HO2 | 0.8° | 0.0° |
| C2 | C3 | C4 | H3 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 1.5° | 0.3° |
| C2 | C3 | C4 | C7 | 177.5° | 179.9° |
| H2 | C2 | C3 | C4 | 179.5° | 179.9° |
| H2 | C2 | C3 | H3 | 0.4° | 0.1° |
| C22 | N24 | C25 | C26 | 174.6° | 180.0° |
| C22 | N24 | C25 | H251 | 179.9° | 5.7° |
| C22 | N24 | C25 | H252 | 54.8° | 125.9° |
| C22 | N24 | C25 | H253 | 54.7° | 114.2° |
| C22 | N24 | C26 | C27 | 92.7° | 90.0° |
| C22 | N24 | C26 | H261 | 32.6° | 29.9° |
| C22 | N24 | C26 | H262 | 142.1° | 150.0° |
| O23 | C22 | N24 | C25 | 9.2° | 174.5° |
| O23 | C22 | N24 | C26 | 165.1° | 5.5° |
| N24 | C25 | H251 | H252 | 125.2° | 120.1° |
| N24 | C25 | H251 | H253 | 125.3° | 119.9° |
| N24 | C25 | H252 | H253 | 116.1° | 120.0° |
| C25 | N24 | C26 | C27 | 93.3° | 90.0° |
| C25 | N24 | C26 | H261 | 141.5° | 150.0° |
| C25 | N24 | C26 | H262 | 32.0° | 30.0° |
| H251 | C25 | H252 | H253 | 116.1° | 120.0° |
| H251 | C25 | N24 | C26 | 5.5° | 174.3° |
| H252 | C25 | N24 | C26 | 130.6° | 54.2° |
| H253 | C25 | N24 | C26 | 119.9° | 65.8° |
| C27 | C26 | N24 | H261 | 125.2° | 120.0° |
| C27 | C26 | N24 | H262 | 125.2° | 120.0° |
| C27 | C26 | H261 | H262 | 115.3° | 120.0° |
| C26 | C27 | C28 | H271 | 125.3° | 120.0° |
| C26 | C27 | C28 | H272 | 125.3° | 120.1° |
| C26 | C27 | H271 | H272 | 117.2° | 120.0° |
| C26 | C27 | C28 | C29 | 165.6° | 180.0° |
| C26 | C27 | C28 | H281 | 69.2° | 60.0° |
| C26 | C27 | C28 | H282 | 40.4° | 60.0° |
| N24 | C26 | H261 | H262 | 115.4° | 120.1° |
| N24 | C26 | C27 | C28 | 49.6° | 180.0° |
| N24 | C26 | C27 | H271 | 174.8° | 60.0° |
| N24 | C26 | C27 | H272 | 75.7° | 59.9° |
| H261 | C26 | C27 | C28 | 174.8° | 60.0° |
| H261 | C26 | C27 | H271 | 59.9° | NaN° |
| H261 | C26 | C27 | H272 | 49.6° | 60.1° |
| H262 | C26 | C27 | C28 | 75.7° | 60.0° |
| H262 | C26 | C27 | H271 | 49.5° | 60.0° |
| H262 | C26 | C27 | H272 | 159.0° | 180.0° |
| C28 | C27 | H271 | H272 | 117.1° | 120.0° |
| C27 | C28 | C29 | H281 | 125.3° | 120.0° |
| C27 | C28 | C29 | H282 | 125.3° | 120.0° |
| C27 | C28 | H281 | H282 | 116.3° | 120.0° |
| C27 | C28 | C29 | C30 | 85.7° | 180.0° |
| C27 | C28 | C29 | C34 | 151.7° | 60.0° |
| C27 | C28 | C29 | H29 | 32.7° | 60.0° |
| H271 | C27 | C28 | C29 | 40.3° | 60.0° |
| H271 | C27 | C28 | H281 | 165.6° | 179.9° |
| H271 | C27 | C28 | H282 | 84.9° | 60.0° |
| H272 | C27 | C28 | C29 | 69.1° | 60.0° |
| H272 | C27 | C28 | H281 | 56.1° | 60.1° |
| H272 | C27 | C28 | H282 | 165.6° | 180.0° |
| C29 | C28 | H281 | H282 | 116.2° | 120.0° |
| C28 | C29 | C30 | C34 | 123.3° | 120.0° |
| C28 | C29 | C30 | H29 | 117.5° | 120.0° |
| C28 | C29 | C34 | H29 | 117.6° | 120.0° |
| C28 | C29 | C30 | C31 | 177.2° | 180.0° |
| C28 | C29 | C30 | H301 | 51.9° | 60.0° |
| C28 | C29 | C30 | H302 | 57.6° | 60.0° |
| C28 | C29 | C34 | C33 | 177.6° | 180.0° |
| C28 | C29 | C34 | H341 | 52.3° | 60.0° |
| C28 | C29 | C34 | H342 | 57.2° | 60.0° |
| H281 | C28 | C29 | C30 | 149.0° | 60.0° |
| H281 | C28 | C29 | C34 | 26.4° | 180.0° |
| H281 | C28 | C29 | H29 | 92.6° | 60.0° |
| H282 | C28 | C29 | C30 | 39.6° | 60.0° |
| H282 | C28 | C29 | C34 | 83.0° | 60.0° |
| H282 | C28 | C29 | H29 | 157.9° | 180.0° |
| C30 | C29 | C34 | H29 | 118.5° | 120.0° |
| C29 | C30 | C31 | H301 | 125.3° | 120.0° |
| C29 | C30 | C31 | H302 | 125.3° | 120.0° |
| C29 | C30 | H301 | H302 | 117.2° | 120.0° |
| C29 | C30 | C31 | C32 | 52.3° | 60.0° |
| C29 | C30 | C31 | H311 | 177.5° | 60.0° |
| C29 | C30 | C31 | H312 | 72.9° | 180.0° |
| C30 | C29 | C34 | C33 | 58.5° | 60.0° |
| C30 | C29 | C34 | H341 | 176.3° | 60.0° |
| C30 | C29 | C34 | H342 | 66.7° | 180.0° |
| C34 | C29 | C30 | C31 | 53.9° | 60.0° |
| C34 | C29 | C30 | H301 | 71.4° | 180.0° |
| C34 | C29 | C30 | H302 | 179.1° | 60.0° |
| C29 | C34 | C33 | C32 | 61.1° | 60.0° |
| C29 | C34 | C33 | H341 | 125.3° | 120.0° |
| C29 | C34 | C33 | H342 | 125.3° | 120.0° |
| C29 | C34 | C33 | H331 | 173.6° | 60.0° |
| C29 | C34 | C33 | H332 | 64.2° | 180.0° |
| C29 | C34 | H341 | H342 | 117.7° | 120.0° |
| H29 | C29 | C30 | C31 | 65.3° | 60.0° |
| H29 | C29 | C30 | H301 | 169.4° | 60.0° |
| H29 | C29 | C30 | H302 | 60.0° | 180.0° |
| H29 | C29 | C34 | C33 | 60.0° | 60.0° |
| H29 | C29 | C34 | H341 | 65.2° | 180.0° |
| H29 | C29 | C34 | H342 | 174.8° | 60.0° |
| C3 | C4 | C5 | C7 | 179.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.8° | 0.5° |
| C3 | C4 | C5 | H5 | 179.2° | 180.0° |
| C3 | C4 | C7 | N8 | 59.4° | 90.0° |
| C3 | C4 | C7 | H71 | 175.3° | 29.9° |
| C3 | C4 | C7 | H72 | 65.8° | 150.0° |
| H3 | C3 | C4 | C5 | 178.6° | 179.7° |
| H3 | C3 | C4 | C7 | 2.5° | 0.0° |
| C31 | C30 | H301 | H302 | 117.1° | 120.0° |
| C30 | C31 | C32 | H311 | 125.2° | 120.0° |
| C30 | C31 | C32 | H312 | 125.2° | 119.9° |
| C30 | C31 | H311 | H312 | 116.9° | 120.1° |
| C30 | C31 | C32 | C33 | 53.2° | 60.1° |
| C30 | C31 | C32 | H321 | 72.0° | 180.0° |
| C30 | C31 | C32 | H322 | 178.5° | 60.0° |
| H301 | C30 | C31 | C32 | 73.0° | 180.0° |
| H301 | C30 | C31 | H311 | 52.3° | 60.0° |
| H301 | C30 | C31 | H312 | 161.8° | 60.1° |
| H302 | C30 | C31 | C32 | 177.6° | 60.0° |
| H302 | C30 | C31 | H311 | 57.2° | 180.0° |
| H302 | C30 | C31 | H312 | 52.4° | 59.9° |
| C32 | C31 | H311 | H312 | 116.9° | 120.0° |
| C31 | C32 | C33 | H321 | 125.3° | 120.0° |
| C31 | C32 | C33 | H322 | 125.3° | 120.0° |
| C31 | C32 | H321 | H322 | 118.0° | 120.0° |
| C31 | C32 | C33 | C34 | 57.3° | 60.0° |
| C31 | C32 | C33 | H331 | 177.5° | 60.0° |
| C31 | C32 | C33 | H332 | 68.0° | 179.9° |
| H311 | C31 | C32 | C33 | 178.5° | 59.9° |
| H311 | C31 | C32 | H321 | 53.2° | 60.0° |
| H311 | C31 | C32 | H322 | 56.3° | 180.0° |
| H312 | C31 | C32 | C33 | 72.0° | 180.0° |
| H312 | C31 | C32 | H321 | 162.8° | 60.0° |
| H312 | C31 | C32 | H322 | 53.3° | 59.9° |
| C33 | C32 | H321 | H322 | 117.8° | 120.1° |
| C32 | C33 | C34 | H331 | 125.2° | 120.1° |
| C32 | C33 | C34 | H332 | 125.3° | 120.0° |
| C32 | C33 | H331 | H332 | 117.8° | 119.9° |
| C32 | C33 | C34 | H341 | 173.6° | 60.0° |
| C32 | C33 | C34 | H342 | 64.1° | 179.9° |
| H321 | C32 | C33 | C34 | 68.0° | 180.0° |
| H321 | C32 | C33 | H331 | 57.3° | 60.0° |
| H321 | C32 | C33 | H332 | 166.8° | 60.0° |
| H322 | C32 | C33 | C34 | 177.4° | 60.0° |
| H322 | C32 | C33 | H331 | 52.2° | 180.0° |
| H322 | C32 | C33 | H332 | 57.3° | 60.1° |
| C34 | C33 | H331 | H332 | 117.7° | 120.1° |
| C33 | C34 | H341 | H342 | 117.6° | 120.0° |
| H331 | C33 | C34 | H341 | 48.3° | 180.0° |
| H331 | C33 | C34 | H342 | 61.1° | 60.0° |
| H332 | C33 | C34 | H341 | 61.1° | 60.0° |
| H332 | C33 | C34 | H342 | 170.6° | 60.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.5° |
| C4 | C5 | C6 | H6 | 179.2° | 179.7° |
| C5 | C4 | C7 | N8 | 121.6° | 90.3° |
| C5 | C4 | C7 | H71 | 3.7° | 149.8° |
| C5 | C4 | C7 | H72 | 113.2° | 29.7° |
| C7 | C4 | C5 | C6 | 178.1° | 179.8° |
| C7 | C4 | C5 | H5 | 1.9° | 0.3° |
| C4 | C7 | N8 | H71 | 125.3° | 120.0° |
| C4 | C7 | N8 | H72 | 125.2° | 120.0° |
| C4 | C7 | H71 | H72 | 116.8° | 120.0° |
| C4 | C7 | N8 | C9 | 62.4° | 90.0° |
| H5 | C5 | C6 | H6 | 0.8° | 0.2° |
| N8 | C7 | H71 | H72 | 116.8° | 120.0° |
| C7 | N8 | C9 | H91 | 39.8° | 0.0° |
| C7 | N8 | C9 | H92 | 149.3° | 120.0° |
| H71 | C7 | N8 | C9 | 62.9° | 30.0° |
| H72 | C7 | N8 | C9 | 172.3° | 150.0° |
| N8 | C9 | H91 | H92 | 114.8° | 120.0° |
| O1P | P | O2P | O3P | 130.1° | 120.0° |
| O1P | P | O2P | O4P | 115.6° | 120.0° |
| O1P | P | O2P | HOP2 | 180.0° | 60.0° |
| O1P | P | O3P | O4P | 120.7° | 120.0° |
| O1P | P | O3P | HOP3 | 180.0° | 180.0° |
| O2P | P | O3P | O4P | 111.4° | 120.0° |
| O2P | P | O3P | HOP3 | 52.1° | 60.0° |
| HOP2 | O2P | P | O3P | 49.9° | 60.0° |
| HOP2 | O2P | P | O4P | 64.4° | 180.0° |
| HOP3 | O3P | P | O4P | 59.3° | 60.0° |
