YVD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | N11 | sing | 1.47Å | 1.43Å | |
| C22 | C23 | sing | 1.55Å | 1.54Å | |
| N11 | C10 | sing | 1.34Å | 1.48Å | |
| C23 | C09 | sing | 1.55Å | 1.51Å | |
| C10 | O12 | doub | 1.21Å | 1.15Å | |
| C10 | C09 | sing | 1.51Å | 1.46Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C20 | O16 | sing | 1.45Å | 1.40Å | |
| O17 | C15 | doub | 1.21Å | 1.18Å | |
| C09 | C08 | sing | 1.53Å | 1.59Å | |
| C08 | C07 | sing | 1.53Å | 1.58Å | |
| C15 | O16 | sing | 1.34Å | 1.40Å | |
| C15 | C14 | sing | 1.51Å | 1.58Å | |
| C07 | C13 | sing | 1.53Å | 1.52Å | |
| C07 | N06 | sing | 1.47Å | 1.43Å | |
| C13 | C14 | sing | 1.53Å | 1.60Å | |
| O19 | C18 | doub | 1.21Å | 1.17Å | |
| N06 | C18 | sing | 1.35Å | 1.45Å | |
| C18 | C04 | sing | 1.51Å | 1.51Å | |
| N32 | C31 | sing | 1.47Å | 1.43Å | |
| C31 | C01 | sing | 1.51Å | 1.53Å | |
| C31 | C33 | sing | 1.53Å | 1.54Å | |
| O03 | C01 | doub | 1.21Å | 1.16Å | |
| C01 | N02 | sing | 1.35Å | 1.47Å | |
| N02 | C04 | sing | 1.46Å | 1.45Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C33 | C37 | sing | 1.51Å | 1.54Å | |
| C05 | C27 | sing | 1.51Å | 1.51Å | |
| C37 | C36 | doub | 1.38Å | 1.52Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.53Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.52Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.51Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.52Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.50Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.52Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.51Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.53Å | Aromatic |
| C25 | C24 | doub | 1.39Å | 1.51Å | Aromatic |
| C39 | C34 | sing | 1.38Å | 1.52Å | Aromatic |
| C34 | F40 | sing | 1.35Å | 1.33Å | |
| C29 | C24 | sing | 1.38Å | 1.51Å | Aromatic |
| C24 | F30 | sing | 1.35Å | 1.32Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| N02 | H021 | sing | 0.97Å | 1.00Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| N32 | H322 | sing | 1.01Å | 1.00Å | |
| N32 | H321 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N11 | C22 | C23 | 104.2° | 105.5° |
| C22 | N11 | C10 | 108.5° | 111.3° |
| N11 | C22 | H222 | 110.8° | 110.3° |
| N11 | C22 | H221 | 110.8° | 110.2° |
| C22 | N11 | H111 | 125.8° | 124.4° |
| C22 | C23 | C09 | 108.6° | 101.7° |
| C23 | C22 | H222 | 110.8° | 110.5° |
| C23 | C22 | H221 | 110.8° | 109.9° |
| C22 | C23 | H232 | 109.7° | 111.0° |
| C22 | C23 | H231 | 109.7° | 111.0° |
| N11 | C10 | O12 | 121.3° | 124.9° |
| N11 | C10 | C09 | 111.5° | 110.1° |
| C10 | N11 | H111 | 125.7° | 124.3° |
| C23 | C09 | C10 | 102.3° | 104.2° |
| C23 | C09 | C08 | 112.7° | 110.5° |
| C23 | C09 | H091 | 110.1° | 110.6° |
| C09 | C23 | H232 | 109.7° | 111.2° |
| C09 | C23 | H231 | 109.7° | 110.8° |
| O12 | C10 | C09 | 127.1° | 125.0° |
| C10 | C09 | C08 | 111.8° | 110.5° |
| C10 | C09 | H091 | 110.9° | 110.5° |
| C21 | C20 | O16 | 108.3° | 109.5° |
| C21 | C20 | H202 | 109.8° | 109.5° |
| C21 | C20 | H201 | 109.8° | 109.5° |
| C20 | C21 | H212 | 109.5° | 109.4° |
| C20 | C21 | H211 | 109.4° | 109.5° |
| C20 | C21 | H213 | 109.5° | 109.5° |
| C20 | O16 | C15 | 114.3° | 117.0° |
| O16 | C20 | H202 | 109.8° | 109.5° |
| O16 | C20 | H201 | 109.8° | 109.4° |
| O17 | C15 | O16 | 116.9° | 120.1° |
| O17 | C15 | C14 | 123.5° | 119.9° |
| C09 | C08 | C07 | 110.3° | 109.5° |
| C09 | C08 | H081 | 109.2° | 109.5° |
| C09 | C08 | H082 | 109.3° | 109.5° |
| C08 | C09 | H091 | 109.0° | 110.4° |
| C08 | C07 | C13 | 117.4° | 109.5° |
| C08 | C07 | N06 | 109.6° | 109.5° |
| C08 | C07 | H071 | 108.9° | 109.5° |
| C07 | C08 | H081 | 109.3° | 109.5° |
| C07 | C08 | H082 | 109.3° | 109.5° |
| O16 | C15 | C14 | 119.6° | 120.0° |
| C15 | C14 | C13 | 113.7° | 109.5° |
| C15 | C14 | H141 | 108.4° | 109.4° |
| C15 | C14 | H142 | 108.4° | 109.4° |
| C13 | C07 | N06 | 100.1° | 109.4° |
| C07 | C13 | C14 | 113.7° | 109.5° |
| C07 | C13 | H1 | 108.4° | 109.5° |
| C07 | C13 | H131 | 108.4° | 109.5° |
| C13 | C07 | H071 | 109.7° | 109.5° |
| C07 | N06 | C18 | 118.7° | 120.0° |
| N06 | C07 | H071 | 111.0° | 109.4° |
| C07 | N06 | H061 | 120.7° | 120.0° |
| C14 | C13 | H1 | 108.4° | 109.5° |
| C14 | C13 | H131 | 108.4° | 109.5° |
| C13 | C14 | H141 | 108.4° | 109.5° |
| C13 | C14 | H142 | 108.4° | 109.5° |
| O19 | C18 | N06 | 123.9° | 120.0° |
| O19 | C18 | C04 | 120.5° | 120.0° |
| N06 | C18 | C04 | 115.6° | 120.0° |
| C18 | N06 | H061 | 120.7° | 120.0° |
| C18 | C04 | N02 | 105.6° | 109.5° |
| C18 | C04 | C05 | 105.1° | 109.4° |
| C18 | C04 | H041 | 109.9° | 109.5° |
| N32 | C31 | C01 | 105.6° | 109.5° |
| N32 | C31 | C33 | 112.8° | 109.5° |
| N32 | C31 | H311 | 109.3° | 109.4° |
| C31 | N32 | H322 | 109.5° | 111.0° |
| C31 | N32 | H321 | 109.5° | 111.0° |
| C01 | C31 | C33 | 113.0° | 109.5° |
| C31 | C01 | O03 | 118.1° | 120.0° |
| C31 | C01 | N02 | 123.9° | 120.0° |
| C01 | C31 | H311 | 108.1° | 109.5° |
| C31 | C33 | C37 | 114.2° | 109.5° |
| C33 | C31 | H311 | 107.9° | 109.5° |
| C31 | C33 | H331 | 108.3° | 109.5° |
| C31 | C33 | H332 | 108.3° | 109.4° |
| O03 | C01 | N02 | 117.9° | 120.0° |
| C01 | N02 | C04 | 120.6° | 120.0° |
| C01 | N02 | H021 | 119.7° | 119.9° |
| N02 | C04 | C05 | 115.4° | 109.5° |
| N02 | C04 | H041 | 110.8° | 109.5° |
| C04 | N02 | H021 | 119.7° | 120.1° |
| C04 | C05 | C27 | 99.8° | 109.5° |
| C05 | C04 | H041 | 109.7° | 109.5° |
| C04 | C05 | H051 | 111.8° | 109.5° |
| C04 | C05 | H052 | 111.9° | 109.5° |
| C33 | C37 | C36 | 121.0° | 119.9° |
| C33 | C37 | C38 | 118.4° | 120.0° |
| C37 | C33 | H331 | 108.3° | 109.5° |
| C37 | C33 | H332 | 108.3° | 109.5° |
| C05 | C27 | C26 | 118.7° | 120.0° |
| C05 | C27 | C28 | 118.7° | 120.0° |
| C27 | C05 | H051 | 111.8° | 109.4° |
| C27 | C05 | H052 | 111.8° | 109.5° |
| C36 | C37 | C38 | 120.6° | 120.1° |
| C37 | C36 | C35 | 119.6° | 120.0° |
| C37 | C36 | H361 | 120.2° | 120.0° |
| C37 | C38 | C39 | 119.8° | 120.0° |
| C37 | C38 | H381 | 120.1° | 120.0° |
| C36 | C35 | C34 | 119.4° | 120.0° |
| C36 | C35 | H351 | 120.3° | 120.0° |
| C35 | C36 | H361 | 120.2° | 120.0° |
| C26 | C27 | C28 | 122.6° | 120.1° |
| C27 | C26 | C25 | 117.8° | 120.0° |
| C27 | C26 | H261 | 121.1° | 120.0° |
| C27 | C28 | C29 | 119.6° | 120.0° |
| C27 | C28 | H281 | 120.2° | 120.0° |
| C26 | C25 | C24 | 119.4° | 119.9° |
| C25 | C26 | H261 | 121.1° | 119.9° |
| C26 | C25 | H251 | 120.4° | 120.0° |
| C38 | C39 | C34 | 119.4° | 120.0° |
| C39 | C38 | H381 | 120.1° | 120.0° |
| C38 | C39 | H391 | 120.3° | 120.0° |
| C28 | C29 | C24 | 117.1° | 120.0° |
| C29 | C28 | H281 | 120.2° | 120.0° |
| C28 | C29 | H291 | 121.5° | 120.0° |
| C35 | C34 | C39 | 121.2° | 120.0° |
| C35 | C34 | F40 | 118.5° | 120.0° |
| C34 | C35 | H351 | 120.3° | 120.0° |
| C25 | C24 | C29 | 123.7° | 119.9° |
| C25 | C24 | F30 | 116.5° | 120.0° |
| C24 | C25 | H251 | 120.3° | 120.0° |
| C39 | C34 | F40 | 120.3° | 120.1° |
| C34 | C39 | H391 | 120.3° | 120.0° |
| C29 | C24 | F30 | 119.8° | 120.1° |
| C24 | C29 | H291 | 121.4° | 120.0° |
| H1 | C13 | H131 | 109.4° | 109.4° |
| H202 | C20 | H201 | 109.4° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H212 | C21 | H213 | 109.4° | 109.5° |
| H211 | C21 | H213 | 109.5° | 109.5° |
| H222 | C22 | H221 | 109.5° | 110.3° |
| H051 | C05 | H052 | 109.4° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H232 | C23 | H231 | 109.5° | 110.9° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H322 | N32 | H321 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C22 | C23 | H222 | 119.2° | 119.2° |
| N11 | C22 | C23 | H221 | 119.1° | 118.9° |
| C22 | N11 | C10 | H111 | 180.0° | 179.7° |
| N11 | C22 | C23 | C09 | 21.6° | 25.2° |
| C22 | N11 | C10 | O12 | 179.0° | 179.7° |
| C22 | N11 | C10 | C09 | 0.7° | 0.1° |
| N11 | C22 | H222 | H221 | 122.4° | 122.0° |
| N11 | C22 | C23 | H232 | 141.4° | 143.5° |
| N11 | C22 | C23 | H231 | 98.3° | 92.7° |
| C23 | C22 | N11 | C10 | 12.5° | 16.7° |
| C22 | C23 | C09 | H232 | 119.8° | 118.2° |
| C22 | C23 | C09 | H231 | 119.9° | 118.0° |
| C22 | C23 | C09 | C10 | 21.4° | 24.8° |
| C22 | C23 | C09 | C08 | 141.5° | 143.5° |
| C23 | C22 | H222 | H221 | 122.4° | 121.7° |
| C22 | C23 | C09 | H091 | 96.5° | 94.0° |
| C22 | C23 | H232 | H231 | 120.4° | 123.8° |
| C23 | C22 | N11 | H111 | 167.4° | 163.0° |
| N11 | C10 | C09 | C23 | 13.7° | 16.5° |
| N11 | C10 | O12 | C09 | 178.1° | 179.7° |
| N11 | C10 | C09 | C08 | 134.6° | 135.2° |
| C10 | N11 | C22 | H222 | 106.6° | 136.0° |
| C10 | N11 | C22 | H221 | 131.7° | 102.0° |
| N11 | C10 | C09 | H091 | 103.6° | 102.4° |
| C23 | C09 | C10 | O12 | 168.1° | 163.8° |
| C23 | C09 | C10 | C08 | 120.8° | 118.7° |
| C23 | C09 | C10 | H091 | 117.4° | 118.8° |
| C23 | C09 | C08 | H091 | 122.6° | 122.6° |
| C23 | C09 | C08 | C07 | 57.0° | 178.9° |
| C09 | C23 | C22 | H222 | 97.6° | 144.4° |
| C09 | C23 | C22 | H221 | 140.7° | 93.6° |
| C23 | C09 | C08 | H081 | 63.1° | 61.1° |
| C23 | C09 | C08 | H082 | 177.1° | 58.9° |
| C09 | C23 | H232 | H231 | 120.4° | 123.7° |
| O12 | C10 | C09 | C08 | 47.2° | 45.1° |
| O12 | C10 | C09 | H091 | 74.6° | 77.4° |
| O12 | C10 | N11 | H111 | 1.0° | 0.6° |
| C10 | C09 | C08 | H091 | 122.9° | 122.6° |
| C10 | C09 | C08 | C07 | 171.5° | 66.2° |
| C10 | C09 | C08 | H081 | 51.4° | 53.8° |
| C10 | C09 | C08 | H082 | 68.3° | 173.7° |
| C10 | C09 | C23 | H232 | 141.2° | 143.0° |
| C10 | C09 | C23 | H231 | 98.5° | 93.3° |
| C09 | C10 | N11 | H111 | 179.4° | 179.6° |
| C21 | C20 | O16 | H202 | 119.8° | 120.0° |
| C21 | C20 | O16 | H201 | 119.8° | 120.0° |
| C21 | C20 | O16 | C15 | 101.5° | 180.0° |
| C21 | C20 | H202 | H201 | 120.5° | 120.0° |
| C20 | C21 | H212 | H211 | 120.0° | 120.0° |
| C20 | C21 | H212 | H213 | 120.0° | 120.0° |
| C20 | C21 | H211 | H213 | 120.0° | 120.0° |
| C20 | O16 | C15 | O17 | 72.5° | 0.0° |
| C20 | O16 | C15 | C14 | 107.7° | 180.0° |
| O16 | C20 | H202 | H201 | 120.6° | 120.0° |
| O16 | C20 | C21 | H212 | 180.0° | 180.0° |
| O16 | C20 | C21 | H211 | 60.0° | 60.0° |
| O16 | C20 | C21 | H213 | 60.0° | 60.0° |
| O17 | C15 | O16 | C14 | 179.9° | 179.9° |
| O17 | C15 | C14 | C13 | 18.3° | 0.1° |
| O17 | C15 | C14 | H141 | 102.3° | 120.0° |
| O17 | C15 | C14 | H142 | 138.9° | 120.0° |
| C09 | C08 | C07 | H081 | 120.1° | 120.0° |
| C09 | C08 | C07 | H082 | 120.1° | 120.0° |
| C09 | C08 | C07 | C13 | 169.7° | 65.3° |
| C09 | C08 | C07 | N06 | 77.2° | 174.7° |
| C09 | C08 | C07 | H071 | 44.4° | 54.8° |
| C09 | C08 | H081 | H082 | 119.6° | 120.0° |
| C08 | C09 | C23 | H232 | 98.6° | 98.3° |
| C08 | C09 | C23 | H231 | 21.7° | 25.5° |
| C08 | C07 | C13 | N06 | 118.4° | 120.1° |
| C08 | C07 | C13 | H071 | 124.9° | 120.0° |
| C08 | C07 | N06 | H071 | 120.3° | 120.0° |
| C08 | C07 | C13 | C14 | 163.9° | 175.0° |
| C08 | C07 | N06 | C18 | 122.8° | 81.3° |
| C08 | C07 | C13 | H1 | 43.3° | 54.9° |
| C08 | C07 | C13 | H131 | 75.4° | 65.0° |
| C07 | C08 | H081 | H082 | 119.7° | 120.0° |
| C07 | C08 | C09 | H091 | 65.6° | 56.3° |
| C08 | C07 | N06 | H061 | 57.2° | 98.6° |
| O16 | C15 | C14 | C13 | 161.5° | 180.0° |
| C15 | O16 | C20 | H202 | 138.7° | 60.0° |
| C15 | O16 | C20 | H201 | 18.3° | 60.0° |
| O16 | C15 | C14 | H141 | 77.8° | 59.9° |
| O16 | C15 | C14 | H142 | 40.9° | 60.0° |
| C15 | C14 | C13 | C07 | 145.0° | 180.0° |
| C15 | C14 | C13 | H141 | 120.6° | 120.0° |
| C15 | C14 | C13 | H142 | 120.6° | 119.9° |
| C15 | C14 | C13 | H1 | 24.3° | 59.9° |
| C15 | C14 | C13 | H131 | 94.4° | 60.0° |
| C15 | C14 | H141 | H142 | 118.1° | 119.9° |
| C13 | C07 | N06 | H071 | 115.7° | 119.9° |
| C07 | C13 | C14 | H1 | 120.6° | 120.0° |
| C07 | C13 | C14 | H131 | 120.6° | 120.0° |
| C13 | C07 | N06 | C18 | 113.2° | 158.6° |
| C07 | C13 | H1 | H131 | 118.1° | 119.9° |
| C13 | C07 | C08 | H081 | 49.6° | 174.8° |
| C13 | C07 | C08 | H082 | 70.2° | 54.7° |
| C07 | C13 | C14 | H141 | 24.3° | 60.0° |
| C07 | C13 | C14 | H142 | 94.4° | 60.1° |
| C13 | C07 | N06 | H061 | 66.8° | 21.4° |
| N06 | C07 | C13 | C14 | 77.7° | 64.9° |
| C07 | N06 | C18 | O19 | 2.5° | 5.0° |
| C07 | N06 | C18 | H061 | 180.0° | 179.9° |
| C07 | N06 | C18 | C04 | 178.2° | 175.0° |
| N06 | C07 | C13 | H1 | 161.7° | 175.0° |
| N06 | C07 | C13 | H131 | 43.0° | 55.1° |
| N06 | C07 | C08 | H081 | 162.7° | 54.7° |
| N06 | C07 | C08 | H082 | 42.9° | 65.3° |
| C14 | C13 | H1 | H131 | 118.1° | 120.0° |
| C14 | C13 | C07 | H071 | 39.0° | 55.0° |
| C13 | C14 | H141 | H142 | 118.1° | 120.1° |
| O19 | C18 | N06 | C04 | 179.3° | 180.0° |
| O19 | C18 | C04 | N02 | 35.4° | 0.0° |
| O19 | C18 | C04 | C05 | 87.1° | 120.0° |
| O19 | C18 | C04 | H041 | 154.9° | 120.0° |
| O19 | C18 | N06 | H061 | 177.5° | 175.0° |
| N06 | C18 | C04 | N02 | 143.9° | 180.0° |
| N06 | C18 | C04 | C05 | 93.6° | 60.0° |
| N06 | C18 | C04 | H041 | 24.4° | 60.0° |
| C18 | N06 | C07 | H071 | 2.5° | 38.7° |
| C18 | C04 | N02 | C01 | 71.8° | 155.0° |
| C18 | C04 | N02 | C05 | 115.6° | 120.0° |
| C18 | C04 | N02 | H041 | 119.0° | 120.0° |
| C18 | C04 | C05 | H041 | 118.2° | 120.0° |
| C18 | C04 | C05 | C27 | 170.9° | 175.0° |
| C18 | C04 | C05 | H051 | 70.6° | 65.1° |
| C18 | C04 | C05 | H052 | 52.5° | 55.0° |
| C18 | C04 | N02 | H021 | 108.2° | 25.0° |
| C04 | C18 | N06 | H061 | 1.8° | 5.0° |
| N32 | C31 | C01 | C33 | 123.7° | 120.0° |
| N32 | C31 | C01 | H311 | 116.9° | 119.9° |
| N32 | C31 | C33 | H311 | 120.9° | 120.0° |
| N32 | C31 | C01 | O03 | 0.1° | 20.1° |
| N32 | C31 | C01 | N02 | 178.2° | 160.0° |
| N32 | C31 | C33 | C37 | 54.8° | 64.9° |
| N32 | C31 | C33 | H331 | 65.9° | 175.0° |
| N32 | C31 | C33 | H332 | 175.5° | 55.0° |
| C31 | N32 | H322 | H321 | 120.0° | 123.9° |
| C01 | C31 | C33 | H311 | 119.4° | 120.0° |
| C31 | C01 | O03 | N02 | 178.2° | 179.9° |
| C31 | C01 | N02 | C04 | 178.4° | 180.0° |
| C01 | C31 | C33 | C37 | 64.9° | 175.0° |
| C01 | C31 | C33 | H331 | 174.4° | 55.0° |
| C01 | C31 | C33 | H332 | 55.7° | 65.0° |
| C31 | C01 | N02 | H021 | 1.7° | 0.0° |
| C01 | C31 | N32 | H322 | 180.0° | 176.0° |
| C01 | C31 | N32 | H321 | 60.0° | 60.1° |
| C33 | C31 | C01 | O03 | 123.8° | 100.0° |
| C33 | C31 | C01 | N02 | 58.1° | 79.9° |
| C31 | C33 | C37 | H331 | 120.7° | 120.0° |
| C31 | C33 | C37 | H332 | 120.7° | 119.9° |
| C31 | C33 | C37 | C36 | 86.3° | 90.0° |
| C31 | C33 | C37 | C38 | 95.1° | 90.0° |
| C31 | C33 | H331 | H332 | 117.8° | 119.9° |
| C33 | C31 | N32 | H322 | 56.1° | 63.9° |
| C33 | C31 | N32 | H321 | 63.9° | 60.0° |
| O03 | C01 | N02 | C04 | 0.2° | 0.0° |
| O03 | C01 | C31 | H311 | 116.8° | 140.0° |
| O03 | C01 | N02 | H021 | 179.8° | 180.0° |
| C01 | N02 | C04 | H021 | 180.0° | 180.0° |
| C01 | N02 | C04 | C05 | 172.6° | 85.0° |
| C01 | N02 | C04 | H041 | 47.2° | 35.0° |
| N02 | C01 | C31 | H311 | 61.3° | 40.1° |
| N02 | C04 | C05 | H041 | 126.0° | 120.0° |
| N02 | C04 | C05 | C27 | 73.2° | 65.0° |
| N02 | C04 | C05 | H051 | 45.2° | 54.9° |
| N02 | C04 | C05 | H052 | 168.4° | 175.0° |
| C04 | C05 | C27 | H051 | 118.4° | 120.0° |
| C04 | C05 | C27 | H052 | 118.4° | 120.0° |
| C04 | C05 | C27 | C26 | 94.7° | 90.0° |
| C04 | C05 | C27 | C28 | 82.0° | 89.7° |
| C04 | C05 | H051 | H052 | 124.5° | 120.1° |
| C05 | C04 | N02 | H021 | 7.4° | 95.0° |
| C33 | C37 | C36 | C38 | 178.6° | 180.0° |
| C33 | C37 | C36 | C35 | 179.2° | 180.0° |
| C33 | C37 | C38 | C39 | 179.0° | 179.8° |
| C37 | C33 | C31 | H311 | 175.6° | 55.0° |
| C37 | C33 | H331 | H332 | 117.9° | 120.0° |
| C33 | C37 | C36 | H361 | 0.8° | 0.0° |
| C33 | C37 | C38 | H381 | 1.0° | 0.1° |
| C05 | C27 | C26 | C28 | 176.6° | 179.8° |
| C05 | C27 | C26 | C25 | 177.7° | 180.0° |
| C05 | C27 | C28 | C29 | 177.6° | 180.0° |
| C05 | C27 | C26 | H261 | 2.3° | 0.1° |
| C05 | C27 | C28 | H281 | 2.4° | 0.0° |
| C27 | C05 | C04 | H041 | 52.8° | 55.0° |
| C27 | C05 | H051 | H052 | 124.5° | 120.0° |
| C37 | C36 | C35 | H361 | 180.0° | 180.0° |
| C36 | C37 | C38 | C39 | 0.4° | 0.2° |
| C37 | C36 | C35 | C34 | 0.4° | 0.0° |
| C36 | C37 | C33 | H331 | 34.4° | 30.0° |
| C36 | C37 | C33 | H332 | 153.0° | 150.1° |
| C37 | C36 | C35 | H351 | 179.7° | 180.0° |
| C36 | C37 | C38 | H381 | 179.6° | 179.9° |
| C38 | C37 | C36 | C35 | 0.6° | 0.0° |
| C37 | C38 | C39 | H381 | 180.0° | 179.9° |
| C37 | C38 | C39 | C34 | 0.1° | 0.5° |
| C38 | C37 | C33 | H331 | 144.3° | 150.0° |
| C38 | C37 | C33 | H332 | 25.6° | 30.0° |
| C38 | C37 | C36 | H361 | 179.4° | 180.0° |
| C37 | C38 | C39 | H391 | 179.9° | 180.0° |
| C36 | C35 | C34 | H351 | 180.0° | 180.0° |
| C36 | C35 | C34 | C39 | 0.2° | 0.2° |
| C36 | C35 | C34 | F40 | 179.8° | 180.0° |
| C27 | C26 | C25 | H261 | 180.0° | 179.9° |
| C26 | C27 | C28 | C29 | 1.0° | 0.3° |
| C27 | C26 | C25 | C24 | 0.6° | 0.1° |
| C26 | C27 | C28 | H281 | 179.0° | 179.8° |
| C26 | C27 | C05 | H051 | 23.7° | 29.9° |
| C26 | C27 | C05 | H052 | 146.9° | 149.9° |
| C27 | C26 | C25 | H251 | 179.4° | 180.0° |
| C28 | C27 | C26 | C25 | 1.1° | 0.2° |
| C27 | C28 | C29 | H281 | 180.0° | 179.9° |
| C27 | C28 | C29 | C24 | 0.3° | 0.0° |
| C28 | C27 | C26 | H261 | 178.9° | 179.7° |
| C28 | C27 | C05 | H051 | 159.5° | 150.3° |
| C28 | C27 | C05 | H052 | 36.4° | 30.3° |
| C27 | C28 | C29 | H291 | 179.7° | 180.0° |
| C26 | C25 | C24 | H251 | 180.0° | 179.9° |
| C26 | C25 | C24 | C29 | 0.0° | 0.3° |
| C26 | C25 | C24 | F30 | 179.2° | 179.9° |
| C38 | C39 | C34 | C35 | 0.4° | 0.5° |
| C38 | C39 | C34 | H391 | 180.0° | 179.6° |
| C38 | C39 | C34 | F40 | 179.5° | 179.8° |
| C28 | C29 | C24 | C25 | 0.2° | 0.3° |
| C28 | C29 | C24 | H291 | 180.0° | 179.9° |
| C28 | C29 | C24 | F30 | 179.3° | 180.0° |
| C35 | C34 | C39 | F40 | 179.9° | 179.8° |
| C34 | C35 | C36 | H361 | 179.6° | 180.0° |
| C35 | C34 | C39 | H391 | 179.6° | 180.0° |
| C25 | C24 | C29 | F30 | 179.1° | 179.7° |
| C24 | C25 | C26 | H261 | 179.4° | 180.0° |
| C25 | C24 | C29 | H291 | 179.8° | 179.7° |
| C39 | C34 | C35 | H351 | 179.8° | 179.8° |
| C34 | C39 | C38 | H381 | 179.9° | 179.7° |
| F40 | C34 | C35 | H351 | 0.2° | 0.0° |
| F40 | C34 | C39 | H391 | 0.5° | 0.2° |
| C24 | C29 | C28 | H281 | 179.7° | 180.0° |
| C29 | C24 | C25 | H251 | 179.9° | 179.8° |
| F30 | C24 | C25 | H251 | 0.8° | 0.0° |
| F30 | C24 | C29 | H291 | 0.7° | 0.1° |
| H1 | C13 | C07 | H071 | 81.6° | 65.1° |
| H1 | C13 | C14 | H141 | 96.3° | 180.0° |
| H1 | C13 | C14 | H142 | 145.0° | 60.0° |
| H131 | C13 | C07 | H071 | 159.7° | 175.0° |
| H131 | C13 | C14 | H141 | 145.0° | 60.0° |
| H131 | C13 | C14 | H142 | 26.2° | 179.9° |
| H202 | C20 | C21 | H212 | 60.2° | 60.0° |
| H202 | C20 | C21 | H211 | 59.8° | 60.0° |
| H202 | C20 | C21 | H213 | 179.8° | 180.0° |
| H201 | C20 | C21 | H212 | 60.2° | 60.0° |
| H201 | C20 | C21 | H211 | 179.8° | 180.0° |
| H201 | C20 | C21 | H213 | 59.8° | 60.0° |
| H212 | C21 | H211 | H213 | 120.0° | 120.0° |
| H222 | C22 | C23 | H232 | 22.3° | 97.3° |
| H222 | C22 | C23 | H231 | 142.5° | 26.5° |
| H222 | C22 | N11 | H111 | 73.4° | 43.6° |
| H221 | C22 | C23 | H232 | 99.4° | 24.7° |
| H221 | C22 | C23 | H231 | 20.8° | 148.5° |
| H221 | C22 | N11 | H111 | 48.3° | 78.4° |
| H261 | C26 | C25 | H251 | 0.6° | 0.1° |
| H281 | C28 | C29 | H291 | 0.3° | 0.1° |
| H041 | C04 | C05 | H051 | 171.2° | 175.0° |
| H041 | C04 | C05 | H052 | 65.7° | 65.0° |
| H041 | C04 | N02 | H021 | 132.8° | 145.0° |
| H071 | C07 | C08 | H081 | 75.7° | 65.2° |
| H071 | C07 | C08 | H082 | 164.5° | 174.8° |
| H071 | C07 | N06 | H061 | 177.5° | 141.4° |
| H081 | C08 | C09 | H091 | 174.3° | 176.3° |
| H082 | C08 | C09 | H091 | 54.6° | 63.7° |
| H091 | C09 | C23 | H232 | 23.3° | 24.2° |
| H091 | C09 | C23 | H231 | 143.6° | 148.0° |
| H311 | C31 | C33 | H331 | 54.9° | 65.0° |
| H311 | C31 | C33 | H332 | 63.7° | 175.0° |
| H311 | C31 | N32 | H322 | 63.9° | 56.1° |
| H311 | C31 | N32 | H321 | 176.1° | 180.0° |
| H351 | C35 | C36 | H361 | 0.3° | 0.0° |
| H381 | C38 | C39 | H391 | 0.1° | 0.1° |
