YV7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C22 | N11 | sing | 1.47Å | 1.57Å | |
| C22 | C23 | sing | 1.54Å | 1.39Å | |
| C20 | O16 | sing | 1.45Å | 1.40Å | |
| O17 | C15 | doub | 1.21Å | 1.18Å | |
| N11 | C10 | sing | 1.34Å | 1.39Å | |
| C23 | C09 | sing | 1.55Å | 1.52Å | |
| O16 | C15 | sing | 1.34Å | 1.40Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C10 | C09 | sing | 1.51Å | 1.56Å | |
| C10 | O12 | doub | 1.21Å | 1.19Å | |
| C08 | C09 | sing | 1.53Å | 1.55Å | |
| C08 | C07 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C07 | sing | 1.53Å | 1.53Å | |
| C07 | N06 | sing | 1.46Å | 1.46Å | |
| O19 | C18 | doub | 1.21Å | 1.19Å | |
| N06 | C18 | sing | 1.35Å | 1.44Å | |
| C18 | C04 | sing | 1.51Å | 1.53Å | |
| N32 | C31 | sing | 1.47Å | 1.46Å | |
| N02 | C04 | sing | 1.47Å | 1.43Å | |
| N02 | C01 | sing | 1.35Å | 1.45Å | |
| C31 | C01 | sing | 1.51Å | 1.53Å | |
| C31 | C33 | sing | 1.53Å | 1.52Å | |
| C04 | C05 | sing | 1.53Å | 1.51Å | |
| C01 | O03 | doub | 1.21Å | 1.19Å | |
| C05 | C27 | sing | 1.51Å | 1.51Å | |
| C33 | C37 | sing | 1.51Å | 1.52Å | |
| C27 | C28 | doub | 1.38Å | 1.53Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.52Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.52Å | Aromatic |
| C37 | C38 | doub | 1.38Å | 1.53Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.52Å | Aromatic |
| C38 | C39 | sing | 1.38Å | 1.53Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.52Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.53Å | Aromatic |
| C29 | C24 | doub | 1.38Å | 1.53Å | Aromatic |
| C39 | C34 | doub | 1.38Å | 1.53Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.52Å | Aromatic |
| C24 | F30 | sing | 1.35Å | 1.36Å | |
| C35 | C34 | sing | 1.38Å | 1.53Å | Aromatic |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | 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 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | 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 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | 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 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| 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 | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C20 | O16 | 110.2° | 109.4° |
| C21 | C20 | H201 | 109.3° | 109.5° |
| C21 | C20 | H202 | 109.3° | 109.5° |
| C20 | C21 | H213 | 109.5° | 109.4° |
| C20 | C21 | H212 | 109.4° | 109.4° |
| C20 | C21 | H211 | 109.4° | 109.5° |
| N11 | C22 | C23 | 107.0° | 105.5° |
| C22 | N11 | C10 | 108.0° | 111.3° |
| N11 | C22 | H222 | 110.1° | 110.2° |
| N11 | C22 | H221 | 110.1° | 110.3° |
| C22 | N11 | H111 | 126.0° | 124.4° |
| C22 | C23 | C09 | 106.4° | 101.8° |
| C23 | C22 | H222 | 110.1° | 110.5° |
| C23 | C22 | H221 | 110.1° | 109.9° |
| C22 | C23 | H231 | 110.2° | 110.9° |
| C22 | C23 | H232 | 110.2° | 111.0° |
| C20 | O16 | C15 | 115.5° | 117.0° |
| O16 | C20 | H201 | 109.3° | 109.5° |
| O16 | C20 | H202 | 109.3° | 109.5° |
| O17 | C15 | O16 | 119.9° | 120.0° |
| O17 | C15 | C14 | 120.3° | 120.0° |
| N11 | C10 | C09 | 107.4° | 110.1° |
| N11 | C10 | O12 | 125.6° | 124.9° |
| C10 | N11 | H111 | 126.0° | 124.3° |
| C23 | C09 | C10 | 104.8° | 104.2° |
| C23 | C09 | C08 | 105.8° | 110.5° |
| C23 | C09 | H091 | 113.4° | 110.6° |
| C09 | C23 | H231 | 110.2° | 111.2° |
| C09 | C23 | H232 | 110.2° | 110.8° |
| O16 | C15 | C14 | 119.7° | 120.1° |
| C15 | C14 | C13 | 112.5° | 109.5° |
| C15 | C14 | H142 | 108.7° | 109.4° |
| C15 | C14 | H141 | 108.7° | 109.5° |
| C09 | C10 | O12 | 127.0° | 124.9° |
| C10 | C09 | C08 | 106.4° | 110.5° |
| C10 | C09 | H091 | 112.8° | 110.5° |
| C09 | C08 | C07 | 108.9° | 109.4° |
| C09 | C08 | H081 | 109.6° | 109.5° |
| C09 | C08 | H082 | 109.6° | 109.4° |
| C08 | C09 | H091 | 113.0° | 110.4° |
| C08 | C07 | C13 | 113.9° | 109.5° |
| C08 | C07 | N06 | 108.3° | 109.5° |
| C08 | C07 | H071 | 108.7° | 109.5° |
| C07 | C08 | H081 | 109.6° | 109.5° |
| C07 | C08 | H082 | 109.6° | 109.5° |
| C14 | C13 | C07 | 110.3° | 109.5° |
| C14 | C13 | H131 | 109.3° | 109.5° |
| C14 | C13 | H1 | 109.3° | 109.4° |
| C13 | C14 | H142 | 108.7° | 109.5° |
| C13 | C14 | H141 | 108.7° | 109.5° |
| C13 | C07 | N06 | 107.7° | 109.5° |
| C07 | C13 | H131 | 109.3° | 109.5° |
| C07 | C13 | H1 | 109.3° | 109.5° |
| C13 | C07 | H071 | 108.6° | 109.5° |
| C07 | N06 | C18 | 119.8° | 120.0° |
| N06 | C07 | H071 | 109.6° | 109.5° |
| C07 | N06 | H061 | 120.1° | 120.0° |
| O19 | C18 | N06 | 120.6° | 120.0° |
| O19 | C18 | C04 | 118.2° | 120.0° |
| N06 | C18 | C04 | 121.2° | 120.0° |
| C18 | N06 | H061 | 120.1° | 120.0° |
| C18 | C04 | N02 | 105.1° | 109.5° |
| C18 | C04 | C05 | 103.5° | 109.5° |
| C18 | C04 | H041 | 110.6° | 109.5° |
| N32 | C31 | C01 | 108.9° | 109.5° |
| N32 | C31 | C33 | 110.8° | 109.5° |
| N32 | C31 | H311 | 109.0° | 109.5° |
| C31 | N32 | H322 | 109.5° | 111.0° |
| C31 | N32 | H2 | 109.5° | 110.9° |
| C04 | N02 | C01 | 118.7° | 120.0° |
| N02 | C04 | C05 | 114.3° | 109.5° |
| N02 | C04 | H041 | 112.0° | 109.4° |
| C04 | N02 | H021 | 120.6° | 120.0° |
| N02 | C01 | C31 | 119.7° | 120.0° |
| N02 | C01 | O03 | 119.9° | 120.0° |
| C01 | N02 | H021 | 120.6° | 120.0° |
| C01 | C31 | C33 | 111.8° | 109.4° |
| C31 | C01 | O03 | 120.4° | 120.0° |
| C01 | C31 | H311 | 108.1° | 109.5° |
| C31 | C33 | C37 | 111.6° | 109.5° |
| C33 | C31 | H311 | 108.2° | 109.5° |
| C31 | C33 | H332 | 108.9° | 109.5° |
| C31 | C33 | H331 | 108.9° | 109.5° |
| C04 | C05 | C27 | 109.6° | 109.5° |
| C05 | C04 | H041 | 110.8° | 109.5° |
| C04 | C05 | H052 | 109.4° | 109.5° |
| C04 | C05 | H051 | 109.5° | 109.4° |
| C05 | C27 | C28 | 119.1° | 119.9° |
| C05 | C27 | C26 | 119.7° | 120.0° |
| C27 | C05 | H052 | 109.5° | 109.5° |
| C27 | C05 | H051 | 109.4° | 109.4° |
| C33 | C37 | C38 | 120.4° | 120.0° |
| C33 | C37 | C36 | 119.4° | 120.0° |
| C37 | C33 | H332 | 108.9° | 109.4° |
| C37 | C33 | H331 | 109.0° | 109.5° |
| C28 | C27 | C26 | 121.2° | 120.1° |
| C27 | C28 | C29 | 119.5° | 120.0° |
| C27 | C28 | H281 | 120.3° | 120.0° |
| C27 | C26 | C25 | 119.3° | 120.0° |
| C27 | C26 | H261 | 120.4° | 120.0° |
| C28 | C29 | C24 | 119.3° | 119.9° |
| C29 | C28 | H281 | 120.3° | 120.0° |
| C28 | C29 | H291 | 120.3° | 120.0° |
| C38 | C37 | C36 | 120.3° | 120.0° |
| C37 | C38 | C39 | 119.9° | 120.0° |
| C37 | C38 | H381 | 120.0° | 120.1° |
| C37 | C36 | C35 | 119.8° | 120.0° |
| C37 | C36 | H361 | 120.1° | 120.0° |
| C38 | C39 | C34 | 119.9° | 120.0° |
| C39 | C38 | H381 | 120.1° | 119.9° |
| C38 | C39 | H391 | 120.1° | 120.0° |
| C26 | C25 | C24 | 119.6° | 120.0° |
| C25 | C26 | H261 | 120.3° | 120.0° |
| C26 | C25 | H251 | 120.2° | 120.1° |
| C36 | C35 | C34 | 120.0° | 120.0° |
| C36 | C35 | H351 | 120.0° | 120.0° |
| C35 | C36 | H361 | 120.1° | 120.0° |
| C29 | C24 | C25 | 121.0° | 120.0° |
| C29 | C24 | F30 | 119.4° | 120.0° |
| C24 | C29 | H291 | 120.3° | 120.1° |
| C39 | C34 | C35 | 120.1° | 120.0° |
| C39 | C34 | H341 | 120.0° | 120.1° |
| C34 | C39 | H391 | 120.1° | 119.9° |
| C25 | C24 | F30 | 119.6° | 120.0° |
| C24 | C25 | H251 | 120.2° | 120.0° |
| C35 | C34 | H341 | 119.9° | 120.0° |
| C34 | C35 | H351 | 120.0° | 120.0° |
| H131 | C13 | H1 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H213 | C21 | H212 | 109.5° | 109.5° |
| H213 | C21 | H211 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H222 | C22 | H221 | 109.5° | 110.3° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.4° |
| H231 | C23 | H232 | 109.5° | 110.9° |
| H332 | C33 | H331 | 109.5° | 109.5° |
| H322 | N32 | H2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C20 | O16 | H201 | 120.1° | 120.0° |
| C21 | C20 | O16 | H202 | 120.1° | 120.0° |
| C21 | C20 | O16 | C15 | 59.6° | 180.0° |
| C21 | C20 | H201 | H202 | 119.7° | 120.0° |
| C20 | C21 | H213 | H212 | 120.0° | 119.9° |
| C20 | C21 | H213 | H211 | 120.0° | 120.0° |
| C20 | C21 | H212 | H211 | 119.9° | 120.0° |
| N11 | C22 | C23 | H222 | 119.6° | 119.2° |
| N11 | C22 | C23 | H221 | 119.6° | 118.9° |
| C22 | N11 | C10 | H111 | 180.0° | 179.6° |
| N11 | C22 | C23 | C09 | 25.0° | 25.2° |
| C22 | N11 | C10 | C09 | 1.2° | 0.0° |
| C22 | N11 | C10 | O12 | 179.8° | 179.7° |
| N11 | C22 | H222 | H221 | 121.1° | 122.0° |
| N11 | C22 | C23 | H231 | 144.5° | 143.5° |
| N11 | C22 | C23 | H232 | 94.5° | 92.7° |
| C23 | C22 | N11 | C10 | 17.0° | 16.6° |
| C22 | C23 | C09 | H231 | 119.5° | 118.1° |
| C22 | C23 | C09 | H232 | 119.5° | 118.1° |
| C22 | C23 | C09 | C10 | 24.2° | 24.8° |
| C22 | C23 | C09 | C08 | 136.4° | 143.5° |
| C23 | C22 | H222 | H221 | 121.1° | 121.7° |
| C22 | C23 | C09 | H091 | 99.3° | 93.9° |
| C22 | C23 | H231 | H232 | 121.4° | 123.8° |
| C23 | C22 | N11 | H111 | 163.0° | 163.0° |
| C20 | O16 | C15 | O17 | 102.2° | 0.0° |
| C20 | O16 | C15 | C14 | 78.5° | 180.0° |
| O16 | C20 | H201 | H202 | 119.7° | 120.0° |
| O16 | C20 | C21 | H213 | 180.0° | 180.0° |
| O16 | C20 | C21 | H212 | 60.0° | 60.0° |
| O16 | C20 | C21 | H211 | 60.0° | 60.0° |
| O17 | C15 | O16 | C14 | 179.3° | 179.9° |
| O17 | C15 | C14 | C13 | 8.9° | 0.0° |
| O17 | C15 | C14 | H142 | 111.6° | 120.1° |
| O17 | C15 | C14 | H141 | 129.4° | 120.0° |
| N11 | C10 | C09 | C23 | 13.4° | 16.5° |
| N11 | C10 | C09 | O12 | 178.9° | 179.7° |
| N11 | C10 | C09 | C08 | 125.1° | 135.2° |
| C10 | N11 | C22 | H222 | 102.6° | 136.0° |
| C10 | N11 | C22 | H221 | 136.6° | 102.0° |
| N11 | C10 | C09 | H091 | 110.4° | 102.3° |
| C23 | C09 | C10 | C08 | 111.7° | 118.6° |
| C23 | C09 | C10 | H091 | 123.8° | 118.8° |
| C23 | C09 | C10 | O12 | 165.6° | 163.8° |
| C23 | C09 | C08 | H091 | 124.6° | 122.7° |
| C23 | C09 | C08 | C07 | 70.6° | 179.0° |
| C09 | C23 | C22 | H222 | 94.6° | 144.4° |
| C09 | C23 | C22 | H221 | 144.6° | 93.6° |
| C23 | C09 | C08 | H081 | 49.4° | 61.1° |
| C23 | C09 | C08 | H082 | 169.5° | 59.0° |
| C09 | C23 | H231 | H232 | 121.4° | 123.8° |
| O16 | C15 | C14 | C13 | 170.4° | 180.0° |
| C15 | O16 | C20 | H201 | 60.5° | 60.0° |
| C15 | O16 | C20 | H202 | 179.7° | 60.0° |
| O16 | C15 | C14 | H142 | 69.1° | 60.0° |
| O16 | C15 | C14 | H141 | 50.0° | 59.9° |
| C15 | C14 | C13 | H142 | 120.4° | 120.0° |
| C15 | C14 | C13 | H141 | 120.4° | 120.0° |
| C15 | C14 | C13 | C07 | 144.8° | 179.9° |
| C15 | C14 | C13 | H131 | 95.0° | 60.0° |
| C15 | C14 | C13 | H1 | 24.7° | 60.0° |
| C15 | C14 | H142 | H141 | 118.6° | 120.0° |
| C10 | C09 | C08 | H091 | 124.4° | 122.5° |
| C10 | C09 | C08 | C07 | 178.4° | 66.3° |
| C10 | C09 | C08 | H081 | 61.7° | 53.7° |
| C10 | C09 | C08 | H082 | 58.5° | 173.8° |
| C10 | C09 | C23 | H231 | 143.7° | 143.0° |
| C10 | C09 | C23 | H232 | 95.4° | 93.2° |
| C09 | C10 | N11 | H111 | 178.7° | 179.6° |
| O12 | C10 | C09 | C08 | 53.8° | 45.2° |
| O12 | C10 | C09 | H091 | 70.6° | 77.3° |
| O12 | C10 | N11 | H111 | 0.2° | 0.7° |
| C09 | C08 | C07 | H081 | 119.9° | 120.0° |
| C09 | C08 | C07 | H082 | 119.9° | 119.9° |
| C09 | C08 | C07 | C13 | 172.8° | 65.2° |
| C09 | C08 | C07 | N06 | 67.4° | 174.7° |
| C09 | C08 | C07 | H071 | 51.6° | 54.8° |
| C09 | C08 | H081 | H082 | 120.2° | 120.0° |
| C08 | C09 | C23 | H231 | 104.1° | 98.4° |
| C08 | C09 | C23 | H232 | 16.9° | 25.4° |
| C08 | C07 | C13 | C14 | 163.7° | 175.0° |
| C08 | C07 | C13 | N06 | 120.2° | 120.0° |
| C08 | C07 | C13 | H071 | 121.3° | 120.0° |
| C08 | C07 | N06 | H071 | 118.4° | 120.0° |
| C08 | C07 | N06 | C18 | 115.5° | 81.3° |
| C08 | C07 | C13 | H131 | 76.2° | 55.0° |
| C08 | C07 | C13 | H1 | 43.6° | 65.0° |
| C07 | C08 | H081 | H082 | 120.3° | 120.0° |
| C07 | C08 | C09 | H091 | 54.0° | 56.3° |
| C08 | C07 | N06 | H061 | 64.5° | 98.6° |
| C14 | C13 | C07 | H131 | 120.1° | 120.0° |
| C14 | C13 | C07 | H1 | 120.1° | 120.0° |
| C14 | C13 | C07 | N06 | 76.1° | 65.0° |
| C14 | C13 | H131 | H1 | 119.7° | 120.0° |
| C14 | C13 | C07 | H071 | 42.5° | 55.0° |
| C13 | C14 | H142 | H141 | 118.6° | 120.0° |
| C13 | C07 | N06 | H071 | 117.9° | 120.0° |
| C13 | C07 | N06 | C18 | 120.8° | 158.7° |
| C07 | C13 | H131 | H1 | 119.6° | 120.0° |
| C13 | C07 | C08 | H081 | 52.9° | 174.8° |
| C13 | C07 | C08 | H082 | 67.3° | 54.7° |
| C07 | C13 | C14 | H142 | 24.4° | 60.0° |
| C07 | C13 | C14 | H141 | 94.7° | 60.0° |
| C13 | C07 | N06 | H061 | 59.2° | 21.4° |
| C07 | N06 | C18 | O19 | 1.1° | 4.9° |
| C07 | N06 | C18 | H061 | 180.0° | 179.9° |
| C07 | N06 | C18 | C04 | 179.0° | 175.0° |
| N06 | C07 | C13 | H131 | 44.0° | 175.0° |
| N06 | C07 | C13 | H1 | 163.8° | 55.0° |
| N06 | C07 | C08 | H081 | 172.7° | 54.8° |
| N06 | C07 | C08 | H082 | 52.5° | 65.3° |
| O19 | C18 | N06 | C04 | 177.8° | 179.9° |
| O19 | C18 | C04 | N02 | 34.0° | 0.1° |
| O19 | C18 | C04 | C05 | 86.2° | 119.9° |
| O19 | C18 | C04 | H041 | 155.1° | 120.0° |
| O19 | C18 | N06 | H061 | 178.9° | 175.0° |
| N06 | C18 | C04 | N02 | 148.1° | 180.0° |
| N06 | C18 | C04 | C05 | 91.7° | 60.0° |
| N06 | C18 | C04 | H041 | 27.0° | 60.1° |
| C18 | N06 | C07 | H071 | 2.9° | 38.7° |
| C18 | C04 | N02 | C05 | 112.7° | 120.0° |
| C18 | C04 | N02 | H041 | 120.1° | 120.0° |
| C18 | C04 | N02 | C01 | 84.0° | 154.9° |
| C18 | C04 | C05 | H041 | 118.6° | 120.0° |
| C18 | C04 | C05 | C27 | 178.9° | 174.9° |
| C18 | C04 | C05 | H052 | 58.9° | 65.0° |
| C18 | C04 | C05 | H051 | 61.1° | 55.0° |
| C18 | C04 | N02 | H021 | 96.0° | 25.0° |
| C04 | C18 | N06 | H061 | 1.1° | 5.1° |
| N32 | C31 | C01 | N02 | 173.2° | 160.1° |
| N32 | C31 | C01 | C33 | 122.8° | 120.0° |
| N32 | C31 | C01 | H311 | 118.3° | 120.0° |
| N32 | C31 | C33 | H311 | 119.4° | 120.0° |
| N32 | C31 | C01 | O03 | 6.1° | 20.0° |
| N32 | C31 | C33 | C37 | 58.6° | 65.0° |
| N32 | C31 | C33 | H332 | 61.7° | 175.0° |
| N32 | C31 | C33 | H331 | 178.9° | 55.0° |
| C31 | N32 | H322 | H2 | 120.0° | 123.9° |
| C04 | N02 | C01 | H021 | 180.0° | 180.0° |
| C04 | N02 | C01 | C31 | 178.7° | 180.0° |
| N02 | C04 | C05 | H041 | 127.7° | 120.0° |
| C04 | N02 | C01 | O03 | 0.6° | 0.0° |
| N02 | C04 | C05 | C27 | 65.2° | 65.0° |
| N02 | C04 | C05 | H052 | 54.8° | 55.0° |
| N02 | C04 | C05 | H051 | 174.8° | 175.0° |
| N02 | C01 | C31 | O03 | 179.3° | 180.0° |
| N02 | C01 | C31 | C33 | 64.0° | 80.0° |
| C01 | N02 | C04 | C05 | 163.3° | 85.0° |
| C01 | N02 | C04 | H041 | 36.2° | 35.0° |
| N02 | C01 | C31 | H311 | 54.9° | 40.0° |
| C01 | C31 | C33 | H311 | 118.9° | 120.0° |
| C01 | C31 | C33 | C37 | 63.0° | 175.0° |
| C01 | C31 | C33 | H332 | 176.6° | 55.1° |
| C01 | C31 | C33 | H331 | 57.3° | 65.0° |
| C31 | C01 | N02 | H021 | 1.3° | 0.0° |
| C01 | C31 | N32 | H322 | 180.0° | 60.0° |
| C01 | C31 | N32 | H2 | 60.0° | 64.0° |
| C33 | C31 | C01 | O03 | 116.7° | 100.0° |
| C31 | C33 | C37 | H332 | 120.3° | 120.0° |
| C31 | C33 | C37 | H331 | 120.3° | 120.0° |
| C31 | C33 | C37 | C38 | 79.1° | 90.0° |
| C31 | C33 | C37 | C36 | 101.8° | 90.0° |
| C31 | C33 | H332 | H331 | 119.0° | 120.0° |
| C33 | C31 | N32 | H322 | 56.7° | 60.0° |
| C33 | C31 | N32 | H2 | 63.3° | 176.1° |
| C04 | C05 | C27 | H052 | 120.0° | 120.0° |
| C04 | C05 | C27 | H051 | 120.0° | 119.9° |
| C04 | C05 | C27 | C28 | 93.5° | 90.0° |
| C04 | C05 | C27 | C26 | 87.0° | 90.2° |
| C04 | C05 | H052 | H051 | 120.0° | 120.0° |
| C05 | C04 | N02 | H021 | 16.7° | 95.0° |
| O03 | C01 | C31 | H311 | 124.4° | 140.0° |
| O03 | C01 | N02 | H021 | 179.4° | 180.0° |
| C05 | C27 | C28 | C26 | 179.5° | 179.7° |
| C05 | C27 | C28 | C29 | 179.6° | 180.0° |
| C05 | C27 | C26 | C25 | 179.7° | 180.0° |
| C05 | C27 | C26 | H261 | 0.3° | 0.0° |
| C05 | C27 | C28 | H281 | 0.4° | 0.0° |
| C27 | C05 | C04 | H041 | 62.5° | 54.9° |
| C27 | C05 | H052 | H051 | 119.9° | 120.0° |
| C33 | C37 | C38 | C36 | 179.1° | 180.0° |
| C33 | C37 | C38 | C39 | 179.6° | 179.8° |
| C33 | C37 | C36 | C35 | 179.6° | 180.0° |
| C37 | C33 | C31 | H311 | 178.1° | 55.0° |
| C37 | C33 | H332 | H331 | 119.1° | 120.0° |
| C33 | C37 | C36 | H361 | 0.4° | 0.1° |
| C33 | C37 | C38 | H381 | 0.4° | 0.0° |
| C27 | C28 | C29 | H281 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 0.2° | 0.3° |
| C27 | C28 | C29 | C24 | 0.5° | 0.0° |
| C28 | C27 | C26 | H261 | 179.8° | 179.7° |
| C28 | C27 | C05 | H052 | 26.6° | 30.0° |
| C28 | C27 | C05 | H051 | 146.5° | 150.0° |
| C27 | C28 | C29 | H291 | 179.5° | 180.0° |
| C26 | C27 | C28 | C29 | 0.9° | 0.3° |
| C27 | C26 | C25 | H261 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.8° | 0.0° |
| C26 | C27 | C28 | H281 | 179.2° | 179.8° |
| C26 | C27 | C05 | H052 | 153.0° | 149.7° |
| C26 | C27 | C05 | H051 | 33.0° | 29.7° |
| C27 | C26 | C25 | H251 | 179.2° | 180.0° |
| C28 | C29 | C24 | H291 | 180.0° | 180.0° |
| C28 | C29 | C24 | C25 | 0.5° | 0.3° |
| C28 | C29 | C24 | F30 | 178.1° | 180.0° |
| C37 | C38 | C39 | H381 | 180.0° | 179.7° |
| C38 | C37 | C36 | C35 | 0.5° | 0.0° |
| C37 | C38 | C39 | C34 | 0.4° | 0.5° |
| C38 | C37 | C33 | H332 | 41.2° | 30.0° |
| C38 | C37 | C33 | H331 | 160.6° | 150.0° |
| C38 | C37 | C36 | H361 | 179.5° | 179.9° |
| C37 | C38 | C39 | H391 | 179.6° | 180.0° |
| C36 | C37 | C38 | C39 | 0.5° | 0.3° |
| C37 | C36 | C35 | H361 | 180.0° | 179.9° |
| C37 | C36 | C35 | C34 | 0.3° | 0.0° |
| C36 | C37 | C33 | H332 | 137.9° | 150.0° |
| C36 | C37 | C33 | H331 | 18.5° | 30.0° |
| C37 | C36 | C35 | H351 | 179.7° | 180.0° |
| C36 | C37 | C38 | H381 | 179.5° | 180.0° |
| C38 | C39 | C34 | H391 | 180.0° | 179.5° |
| C38 | C39 | C34 | C35 | 0.1° | 0.5° |
| C38 | C39 | C34 | H341 | 179.9° | 179.7° |
| C26 | C25 | C24 | C29 | 1.2° | 0.3° |
| C26 | C25 | C24 | H251 | 180.0° | 180.0° |
| C26 | C25 | C24 | F30 | 178.7° | 180.0° |
| C36 | C35 | C34 | C39 | 0.1° | 0.3° |
| C36 | C35 | C34 | H351 | 180.0° | 180.0° |
| C36 | C35 | C34 | H341 | 179.9° | 180.0° |
| C29 | C24 | C25 | F30 | 177.5° | 179.7° |
| C24 | C29 | C28 | H281 | 179.5° | 179.9° |
| C29 | C24 | C25 | H251 | 178.8° | 179.7° |
| C39 | C34 | C35 | H341 | 180.0° | 179.7° |
| C39 | C34 | C35 | H351 | 179.9° | 179.7° |
| C34 | C39 | C38 | H381 | 179.7° | 179.7° |
| C24 | C25 | C26 | H261 | 179.2° | 180.0° |
| C25 | C24 | C29 | H291 | 179.5° | 179.7° |
| F30 | C24 | C25 | H251 | 1.3° | 0.0° |
| F30 | C24 | C29 | H291 | 1.9° | 0.0° |
| C34 | C35 | C36 | H361 | 179.7° | 179.9° |
| C35 | C34 | C39 | H391 | 179.8° | 180.0° |
| H131 | C13 | C07 | H071 | 162.6° | 65.0° |
| H131 | C13 | C14 | H142 | 144.5° | NaN° |
| H131 | C13 | C14 | H141 | 25.4° | 60.0° |
| H1 | C13 | C07 | H071 | 77.7° | 175.0° |
| H1 | C13 | C14 | H142 | 95.7° | 60.0° |
| H1 | C13 | C14 | H141 | 145.2° | 180.0° |
| H201 | C20 | C21 | H213 | 59.9° | 60.0° |
| H201 | C20 | C21 | H212 | 60.1° | 60.0° |
| H201 | C20 | C21 | H211 | 179.9° | 180.0° |
| H202 | C20 | C21 | H213 | 59.9° | 60.0° |
| H202 | C20 | C21 | H212 | 179.9° | 180.0° |
| H202 | C20 | C21 | H211 | 60.1° | 60.0° |
| H213 | C21 | H212 | H211 | 120.0° | 120.0° |
| H222 | C22 | C23 | H231 | 24.9° | 97.3° |
| H222 | C22 | C23 | H232 | 145.9° | 26.5° |
| H222 | C22 | N11 | H111 | 77.4° | 43.6° |
| H221 | C22 | C23 | H231 | 95.8° | 24.7° |
| H221 | C22 | C23 | H232 | 25.1° | 148.4° |
| H221 | C22 | N11 | H111 | 43.4° | 78.4° |
| H261 | C26 | C25 | H251 | 0.8° | 0.0° |
| H281 | C28 | C29 | H291 | 0.5° | 0.1° |
| H041 | C04 | C05 | H052 | 177.4° | 175.0° |
| H041 | C04 | C05 | H051 | 57.5° | 65.0° |
| H041 | C04 | N02 | H021 | 143.8° | 145.0° |
| H071 | C07 | C08 | H081 | 68.3° | 65.2° |
| H071 | C07 | C08 | H082 | 171.5° | 174.7° |
| H071 | C07 | N06 | H061 | 177.1° | 141.4° |
| H081 | C08 | C09 | H091 | 174.0° | 176.2° |
| H082 | C08 | C09 | H091 | 65.9° | 63.7° |
| H091 | C09 | C23 | H231 | 20.2° | 24.2° |
| H091 | C09 | C23 | H232 | 141.2° | 148.0° |
| H311 | C31 | C33 | H332 | 57.8° | 65.0° |
| H311 | C31 | C33 | H331 | 61.6° | 175.0° |
| H311 | C31 | N32 | H322 | 62.3° | 180.0° |
| H311 | C31 | N32 | H2 | 177.7° | 56.0° |
| H341 | C34 | C35 | H351 | 0.1° | 0.0° |
| H341 | C34 | C39 | H391 | 0.1° | 0.2° |
| H351 | C35 | C36 | H361 | 0.3° | 0.1° |
| H381 | C38 | C39 | H391 | 0.3° | 0.2° |
