YVA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | N11 | sing | 1.47Å | 1.45Å | |
| C22 | C23 | sing | 1.54Å | 1.54Å | |
| N11 | C10 | sing | 1.34Å | 1.51Å | |
| C23 | C09 | sing | 1.55Å | 1.53Å | |
| C10 | O12 | doub | 1.21Å | 1.19Å | |
| C10 | C09 | sing | 1.51Å | 1.46Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| O17 | C15 | doub | 1.21Å | 1.20Å | |
| C09 | C08 | sing | 1.53Å | 1.55Å | |
| C08 | C07 | sing | 1.53Å | 1.51Å | |
| C15 | C14 | sing | 1.51Å | 1.51Å | |
| C15 | O16 | sing | 1.34Å | 1.39Å | |
| C20 | O16 | sing | 1.45Å | 1.41Å | |
| C07 | C13 | sing | 1.53Å | 1.55Å | |
| C07 | N06 | sing | 1.46Å | 1.48Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| O19 | C18 | doub | 1.21Å | 1.17Å | |
| N06 | C18 | sing | 1.35Å | 1.45Å | |
| C18 | C04 | sing | 1.51Å | 1.51Å | |
| O03 | C01 | doub | 1.22Å | 1.20Å | |
| C31 | C30 | doub | 1.37Å | 1.53Å | Aromatic |
| C31 | C32 | sing | 1.40Å | 1.53Å | Aromatic |
| C30 | C29 | sing | 1.40Å | 1.53Å | Aromatic |
| C01 | C27 | sing | 1.46Å | 1.53Å | |
| C01 | N02 | sing | 1.35Å | 1.45Å | |
| C27 | C28 | doub | 1.35Å | 1.31Å | |
| C04 | N02 | sing | 1.47Å | 1.44Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C28 | C32 | sing | 1.47Å | 1.53Å | |
| C32 | C33 | doub | 1.40Å | 1.52Å | Aromatic |
| C29 | C35 | sing | 1.43Å | 1.54Å | |
| C29 | C34 | doub | 1.40Å | 1.52Å | Aromatic |
| C35 | C36 | trip | 1.17Å | 1.19Å | |
| C05 | C24 | sing | 1.53Å | 1.54Å | |
| C33 | C34 | sing | 1.37Å | 1.53Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C26 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | 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 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| 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 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | 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 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.05Å | 1.06Å | |
| N02 | H021 | sing | 0.97Å | 1.00Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N11 | C22 | C23 | 104.4° | 105.5° |
| C22 | N11 | C10 | 109.6° | 111.3° |
| N11 | C22 | H221 | 110.8° | 110.3° |
| N11 | C22 | H222 | 110.7° | 110.2° |
| C22 | N11 | H111 | 125.2° | 124.3° |
| C22 | C23 | C09 | 103.7° | 101.8° |
| C23 | C22 | H221 | 110.7° | 110.6° |
| C23 | C22 | H222 | 110.7° | 109.9° |
| C22 | C23 | H231 | 110.9° | 110.9° |
| C22 | C23 | H232 | 110.9° | 110.9° |
| N11 | C10 | O12 | 125.9° | 124.9° |
| N11 | C10 | C09 | 107.0° | 110.1° |
| C10 | N11 | H111 | 125.2° | 124.3° |
| C23 | C09 | C10 | 105.6° | 104.2° |
| C23 | C09 | C08 | 112.1° | 110.5° |
| C23 | C09 | H091 | 109.4° | 110.6° |
| C09 | C23 | H231 | 110.9° | 111.2° |
| C09 | C23 | H232 | 110.9° | 110.9° |
| O12 | C10 | C09 | 127.1° | 125.0° |
| C10 | C09 | C08 | 109.9° | 110.5° |
| C10 | C09 | H091 | 110.5° | 110.5° |
| C21 | C20 | O16 | 106.6° | 109.5° |
| C21 | C20 | H201 | 110.2° | 109.5° |
| C21 | C20 | H202 | 110.2° | 109.5° |
| C20 | C21 | H213 | 109.5° | 109.5° |
| C20 | C21 | H212 | 109.5° | 109.5° |
| C20 | C21 | H211 | 109.5° | 109.4° |
| O17 | C15 | C14 | 122.3° | 120.0° |
| O17 | C15 | O16 | 122.4° | 120.0° |
| C09 | C08 | C07 | 106.4° | 109.5° |
| C09 | C08 | H082 | 110.2° | 109.4° |
| C09 | C08 | H081 | 110.2° | 109.5° |
| C08 | C09 | H091 | 109.3° | 110.4° |
| C08 | C07 | C13 | 113.6° | 109.5° |
| C08 | C07 | N06 | 114.1° | 109.5° |
| C08 | C07 | H071 | 109.1° | 109.5° |
| C07 | C08 | H082 | 110.2° | 109.5° |
| C07 | C08 | H081 | 110.2° | 109.5° |
| C14 | C15 | O16 | 115.3° | 120.0° |
| C15 | C14 | C13 | 114.6° | 109.5° |
| C15 | C14 | H142 | 108.2° | 109.4° |
| C15 | C14 | H141 | 108.2° | 109.5° |
| C15 | O16 | C20 | 110.7° | 117.0° |
| O16 | C20 | H201 | 110.2° | 109.5° |
| O16 | C20 | H202 | 110.2° | 109.5° |
| C13 | C07 | N06 | 101.5° | 109.5° |
| C07 | C13 | C14 | 103.7° | 109.5° |
| C07 | C13 | H1 | 110.9° | 109.5° |
| C07 | C13 | H131 | 110.9° | 109.5° |
| C13 | C07 | H071 | 108.6° | 109.5° |
| C07 | N06 | C18 | 123.2° | 120.0° |
| N06 | C07 | H071 | 109.6° | 109.5° |
| C07 | N06 | H061 | 118.4° | 120.0° |
| C14 | C13 | H1 | 110.9° | 109.4° |
| C14 | C13 | H131 | 110.9° | 109.5° |
| C13 | C14 | H142 | 108.2° | 109.5° |
| C13 | C14 | H141 | 108.2° | 109.5° |
| O19 | C18 | N06 | 119.6° | 120.0° |
| O19 | C18 | C04 | 123.8° | 120.0° |
| N06 | C18 | C04 | 116.6° | 119.9° |
| C18 | N06 | H061 | 118.4° | 120.0° |
| C18 | C04 | N02 | 104.5° | 109.4° |
| C18 | C04 | C05 | 109.9° | 109.5° |
| C18 | C04 | H041 | 110.9° | 109.5° |
| O03 | C01 | C27 | 121.3° | 120.0° |
| O03 | C01 | N02 | 120.7° | 120.0° |
| C30 | C31 | C32 | 119.7° | 120.0° |
| C31 | C30 | C29 | 119.4° | 120.0° |
| C31 | C30 | H301 | 120.3° | 120.0° |
| C30 | C31 | H311 | 120.1° | 120.0° |
| C31 | C32 | C28 | 118.5° | 120.1° |
| C31 | C32 | C33 | 121.1° | 119.9° |
| C32 | C31 | H311 | 120.2° | 120.0° |
| C30 | C29 | C35 | 119.8° | 120.0° |
| C30 | C29 | C34 | 120.3° | 120.1° |
| C29 | C30 | H301 | 120.3° | 120.0° |
| C27 | C01 | N02 | 118.0° | 120.0° |
| C01 | C27 | C28 | 116.6° | 120.0° |
| C01 | C27 | H271 | 121.7° | 120.0° |
| C01 | N02 | C04 | 117.5° | 120.0° |
| C01 | N02 | H021 | 121.2° | 120.0° |
| C27 | C28 | C32 | 121.3° | 120.0° |
| C27 | C28 | H281 | 119.3° | 120.0° |
| C28 | C27 | H271 | 121.7° | 120.0° |
| N02 | C04 | C05 | 108.9° | 109.5° |
| N02 | C04 | H041 | 111.9° | 109.4° |
| C04 | N02 | H021 | 121.3° | 120.0° |
| C04 | C05 | C24 | 105.7° | 109.5° |
| C05 | C04 | H041 | 110.7° | 109.5° |
| C04 | C05 | H051 | 110.4° | 109.4° |
| C04 | C05 | H052 | 110.4° | 109.4° |
| C28 | C32 | C33 | 120.3° | 120.0° |
| C32 | C28 | H281 | 119.3° | 120.0° |
| C32 | C33 | C34 | 118.9° | 120.0° |
| C32 | C33 | H331 | 120.6° | 120.0° |
| C35 | C29 | C34 | 119.9° | 119.9° |
| C29 | C35 | C36 | 179.0° | 180.0° |
| C29 | C34 | C33 | 120.6° | 120.0° |
| C29 | C34 | H341 | 119.7° | 120.0° |
| C35 | C36 | H361 | 180.0° | 180.0° |
| C05 | C24 | C25 | 111.0° | 117.5° |
| C05 | C24 | C26 | 118.2° | 117.5° |
| C05 | C24 | H241 | 117.9° | 115.6° |
| C24 | C05 | H051 | 110.4° | 109.5° |
| C24 | C05 | H052 | 110.4° | 109.5° |
| C34 | C33 | H331 | 120.5° | 120.0° |
| C33 | C34 | H341 | 119.7° | 120.0° |
| C25 | C24 | C26 | 60.3° | 60.0° |
| C24 | C25 | C26 | 59.9° | 60.0° |
| C25 | C24 | H241 | 118.1° | 117.5° |
| C24 | C25 | H252 | 120.0° | 117.5° |
| C24 | C25 | H251 | 120.0° | 117.5° |
| C24 | C26 | C25 | 59.8° | 60.0° |
| C26 | C24 | H241 | 118.0° | 117.5° |
| C24 | C26 | H261 | 120.0° | 117.5° |
| C24 | C26 | H262 | 120.0° | 117.4° |
| C25 | C26 | H261 | 120.1° | 117.5° |
| C25 | C26 | H262 | 120.1° | 117.5° |
| C26 | C25 | H252 | 120.0° | 117.5° |
| C26 | C25 | H251 | 120.0° | 117.5° |
| H1 | C13 | H131 | 109.4° | 109.5° |
| H201 | C20 | H202 | 109.4° | 109.5° |
| H213 | C21 | H212 | 109.5° | 109.5° |
| H213 | C21 | H211 | 109.5° | 109.5° |
| H212 | C21 | H211 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 110.3° |
| H261 | C26 | H262 | 109.4° | 115.6° |
| H051 | C05 | H052 | 109.4° | 109.4° |
| H082 | C08 | H081 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 110.8° |
| H252 | C25 | H251 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C22 | C23 | H221 | 119.2° | 119.2° |
| N11 | C22 | C23 | H222 | 119.2° | 118.8° |
| C22 | N11 | C10 | H111 | 180.0° | 179.6° |
| N11 | C22 | C23 | C09 | 29.4° | 25.2° |
| C22 | N11 | C10 | O12 | 178.7° | 179.7° |
| C22 | N11 | C10 | C09 | 0.7° | 0.0° |
| N11 | C22 | H221 | H222 | 122.4° | 122.0° |
| N11 | C22 | C23 | H231 | 148.5° | 143.6° |
| N11 | C22 | C23 | H232 | 89.7° | 92.8° |
| C23 | C22 | N11 | C10 | 18.2° | 16.6° |
| C22 | C23 | C09 | H231 | 119.1° | 118.2° |
| C22 | C23 | C09 | H232 | 119.1° | 118.1° |
| C22 | C23 | C09 | C10 | 30.2° | 24.8° |
| C22 | C23 | C09 | C08 | 149.9° | 143.5° |
| C23 | C22 | H221 | H222 | 122.3° | 121.7° |
| C22 | C23 | C09 | H091 | 88.7° | 94.0° |
| C22 | C23 | H231 | H232 | 122.7° | 123.7° |
| C23 | C22 | N11 | H111 | 161.8° | 163.0° |
| N11 | C10 | C09 | C23 | 19.5° | 16.5° |
| N11 | C10 | O12 | C09 | 179.2° | 179.7° |
| N11 | C10 | C09 | C08 | 140.6° | 135.2° |
| C10 | N11 | C22 | H221 | 101.0° | 136.0° |
| C10 | N11 | C22 | H222 | 137.4° | 102.0° |
| N11 | C10 | C09 | H091 | 98.7° | 102.3° |
| C23 | C09 | C10 | O12 | 159.8° | 163.8° |
| C23 | C09 | C10 | C08 | 121.1° | 118.7° |
| C23 | C09 | C10 | H091 | 118.2° | 118.8° |
| C23 | C09 | C08 | H091 | 121.5° | 122.7° |
| C23 | C09 | C08 | C07 | 65.9° | 179.0° |
| C09 | C23 | C22 | H221 | 89.8° | 144.4° |
| C09 | C23 | C22 | H222 | 148.6° | 93.6° |
| C23 | C09 | C08 | H082 | 53.6° | 61.0° |
| C23 | C09 | C08 | H081 | 174.6° | 59.0° |
| C09 | C23 | H231 | H232 | 122.6° | 123.8° |
| O12 | C10 | C09 | C08 | 38.7° | 45.1° |
| O12 | C10 | C09 | H091 | 81.9° | 77.4° |
| O12 | C10 | N11 | H111 | 1.3° | 0.7° |
| C10 | C09 | C08 | H091 | 121.4° | 122.5° |
| C10 | C09 | C08 | C07 | 177.1° | 66.2° |
| C10 | C09 | C08 | H082 | 63.5° | 53.8° |
| C10 | C09 | C08 | H081 | 57.5° | 173.8° |
| C10 | C09 | C23 | H231 | 149.3° | 143.0° |
| C10 | C09 | C23 | H232 | 88.9° | 93.3° |
| C09 | C10 | N11 | H111 | 179.4° | 179.6° |
| C21 | C20 | O16 | C15 | 89.9° | 180.0° |
| C21 | C20 | O16 | H201 | 119.6° | 120.0° |
| C21 | C20 | O16 | H202 | 119.6° | 120.0° |
| C21 | C20 | H201 | H202 | 121.3° | 120.0° |
| C20 | C21 | H213 | H212 | 120.0° | 120.0° |
| C20 | C21 | H213 | H211 | 120.0° | 120.0° |
| C20 | C21 | H212 | H211 | 120.0° | 120.0° |
| O17 | C15 | C14 | O16 | 179.5° | 180.0° |
| O17 | C15 | O16 | C20 | 106.6° | 0.0° |
| O17 | C15 | C14 | C13 | 34.6° | 0.0° |
| O17 | C15 | C14 | H142 | 86.2° | 120.0° |
| O17 | C15 | C14 | H141 | 155.3° | 120.0° |
| C09 | C08 | C07 | H082 | 119.5° | 120.0° |
| C09 | C08 | C07 | H081 | 119.5° | 120.0° |
| C09 | C08 | C07 | C13 | 170.4° | 65.2° |
| C09 | C08 | C07 | N06 | 73.8° | 174.8° |
| C09 | C08 | C07 | H071 | 49.1° | 54.8° |
| C09 | C08 | H082 | H081 | 121.4° | 120.0° |
| C08 | C09 | C23 | H231 | 91.0° | 98.4° |
| C08 | C09 | C23 | H232 | 30.8° | 25.4° |
| C08 | C07 | C13 | N06 | 122.9° | 120.0° |
| C08 | C07 | C13 | H071 | 121.6° | 120.0° |
| C08 | C07 | N06 | H071 | 122.7° | 120.0° |
| C08 | C07 | C13 | C14 | 150.9° | 175.0° |
| C08 | C07 | N06 | C18 | 108.7° | 81.4° |
| C08 | C07 | C13 | H1 | 31.8° | 55.0° |
| C08 | C07 | C13 | H131 | 90.0° | 65.0° |
| C07 | C08 | H082 | H081 | 121.4° | 120.0° |
| C07 | C08 | C09 | H091 | 55.7° | 56.3° |
| C08 | C07 | N06 | H061 | 71.3° | 98.7° |
| C14 | C15 | O16 | C20 | 72.9° | 180.0° |
| C15 | C14 | C13 | C07 | 156.3° | 180.0° |
| C15 | C14 | C13 | H142 | 120.8° | 120.0° |
| C15 | C14 | C13 | H141 | 120.8° | 120.0° |
| C15 | C14 | C13 | H1 | 37.2° | 60.0° |
| C15 | C14 | C13 | H131 | 84.6° | 60.0° |
| C15 | C14 | H142 | H141 | 117.7° | 120.0° |
| O16 | C15 | C14 | C13 | 146.0° | 180.0° |
| C15 | O16 | C20 | H201 | 29.7° | 60.0° |
| C15 | O16 | C20 | H202 | 150.6° | 60.0° |
| O16 | C15 | C14 | H142 | 93.3° | 60.0° |
| O16 | C15 | C14 | H141 | 25.2° | 60.0° |
| O16 | C20 | H201 | H202 | 121.3° | 120.0° |
| O16 | C20 | C21 | H213 | 180.0° | 60.0° |
| O16 | C20 | C21 | H212 | 60.0° | 60.0° |
| O16 | C20 | C21 | H211 | 60.0° | 180.0° |
| C13 | C07 | N06 | H071 | 114.7° | 120.0° |
| C07 | C13 | C14 | H1 | 119.1° | 120.0° |
| C07 | C13 | C14 | H131 | 119.1° | 120.0° |
| C13 | C07 | N06 | C18 | 128.7° | 158.7° |
| C07 | C13 | H1 | H131 | 122.7° | 120.1° |
| C13 | C07 | C08 | H082 | 50.9° | 174.8° |
| C13 | C07 | C08 | H081 | 70.0° | 54.7° |
| C07 | C13 | C14 | H142 | 35.5° | 60.0° |
| C07 | C13 | C14 | H141 | 83.0° | 60.0° |
| C13 | C07 | N06 | H061 | 51.3° | 21.3° |
| N06 | C07 | C13 | C14 | 86.1° | 65.0° |
| C07 | N06 | C18 | O19 | 0.1° | 5.0° |
| C07 | N06 | C18 | H061 | 180.0° | 180.0° |
| C07 | N06 | C18 | C04 | 179.7° | 175.0° |
| N06 | C07 | C13 | H1 | 154.8° | 175.0° |
| N06 | C07 | C13 | H131 | 33.0° | 55.0° |
| N06 | C07 | C08 | H082 | 166.7° | 54.8° |
| N06 | C07 | C08 | H081 | 45.7° | 65.2° |
| C14 | C13 | H1 | H131 | 122.7° | 120.0° |
| C14 | C13 | C07 | H071 | 29.3° | 55.0° |
| C13 | C14 | H142 | H141 | 117.7° | 120.0° |
| O19 | C18 | N06 | C04 | 179.6° | 180.0° |
| O19 | C18 | C04 | N02 | 27.8° | 0.0° |
| O19 | C18 | C04 | C05 | 88.9° | 120.0° |
| O19 | C18 | C04 | H041 | 148.5° | 120.0° |
| O19 | C18 | N06 | H061 | 179.8° | 175.0° |
| N06 | C18 | C04 | N02 | 151.8° | 180.0° |
| N06 | C18 | C04 | C05 | 91.5° | 60.0° |
| N06 | C18 | C04 | H041 | 31.1° | 60.1° |
| C18 | N06 | C07 | H071 | 14.0° | 38.6° |
| C18 | C04 | N02 | C01 | 63.2° | 155.0° |
| C18 | C04 | N02 | C05 | 117.3° | 120.0° |
| C18 | C04 | N02 | H041 | 120.0° | 120.0° |
| C18 | C04 | C05 | H041 | 122.7° | 120.1° |
| C18 | C04 | C05 | C24 | 178.5° | 175.0° |
| C18 | C04 | C05 | H051 | 59.1° | 55.0° |
| C18 | C04 | C05 | H052 | 62.1° | 64.9° |
| C18 | C04 | N02 | H021 | 116.8° | 25.0° |
| C04 | C18 | N06 | H061 | 0.3° | 5.0° |
| O03 | C01 | C27 | N02 | 179.4° | 180.0° |
| O03 | C01 | C27 | C28 | 55.9° | 0.0° |
| O03 | C01 | N02 | C04 | 1.3° | 0.0° |
| O03 | C01 | C27 | H271 | 124.1° | 180.0° |
| O03 | C01 | N02 | H021 | 178.7° | 180.0° |
| C30 | C31 | C32 | H311 | 180.0° | 180.0° |
| C31 | C30 | C29 | H301 | 180.0° | 180.0° |
| C30 | C31 | C32 | C28 | 179.2° | 180.0° |
| C30 | C31 | C32 | C33 | 1.1° | 0.0° |
| C31 | C30 | C29 | C35 | 179.1° | 180.0° |
| C31 | C30 | C29 | C34 | 0.8° | 0.3° |
| C32 | C31 | C30 | C29 | 0.0° | 0.0° |
| C31 | C32 | C28 | C27 | 104.7° | 180.0° |
| C31 | C32 | C28 | C33 | 179.8° | 180.0° |
| C31 | C32 | C33 | C34 | 1.3° | 0.3° |
| C31 | C32 | C28 | H281 | 75.3° | 0.0° |
| C32 | C31 | C30 | H301 | 180.0° | 180.0° |
| C31 | C32 | C33 | H331 | 178.7° | 179.9° |
| C30 | C29 | C35 | C34 | 178.3° | 179.7° |
| C30 | C29 | C35 | C36 | 37.8° | 56.4° |
| C30 | C29 | C34 | C33 | 0.6° | 0.5° |
| C29 | C30 | C31 | H311 | 180.0° | 180.0° |
| C30 | C29 | C34 | H341 | 179.4° | 179.7° |
| C01 | C27 | C28 | H271 | 180.0° | 180.0° |
| C27 | C01 | N02 | C04 | 179.3° | 180.0° |
| C01 | C27 | C28 | C32 | 178.6° | 180.0° |
| C01 | C27 | C28 | H281 | 1.4° | 0.0° |
| C27 | C01 | N02 | H021 | 0.7° | 0.0° |
| N02 | C01 | C27 | C28 | 123.4° | 180.0° |
| C01 | N02 | C04 | H021 | 180.0° | 180.0° |
| C01 | N02 | C04 | C05 | 179.5° | 85.0° |
| C01 | N02 | C04 | H041 | 56.9° | 35.0° |
| N02 | C01 | C27 | H271 | 56.6° | 0.0° |
| C27 | C28 | C32 | H281 | 180.0° | 180.0° |
| C27 | C28 | C32 | C33 | 75.0° | 0.0° |
| N02 | C04 | C05 | H041 | 123.4° | 120.0° |
| N02 | C04 | C05 | C24 | 64.6° | 65.0° |
| N02 | C04 | C05 | H051 | 54.8° | 174.9° |
| N02 | C04 | C05 | H052 | 176.0° | 55.1° |
| C04 | C05 | C24 | H051 | 119.4° | 120.0° |
| C04 | C05 | C24 | H052 | 119.4° | 120.0° |
| C04 | C05 | C24 | C25 | 82.5° | 175.0° |
| C04 | C05 | C24 | C26 | 149.1° | 116.4° |
| C04 | C05 | C24 | H241 | 58.3° | 29.3° |
| C04 | C05 | H051 | H052 | 121.7° | 119.9° |
| C05 | C04 | N02 | H021 | 0.5° | 95.0° |
| C28 | C32 | C33 | C34 | 178.9° | 179.7° |
| C32 | C28 | C27 | H271 | 1.4° | 0.0° |
| C28 | C32 | C31 | H311 | 0.8° | 0.0° |
| C28 | C32 | C33 | H331 | 1.1° | 0.1° |
| C32 | C33 | C34 | C29 | 0.5° | 0.5° |
| C32 | C33 | C34 | H331 | 180.0° | 179.8° |
| C33 | C32 | C28 | H281 | 105.0° | 180.0° |
| C33 | C32 | C31 | H311 | 179.0° | 180.0° |
| C32 | C33 | C34 | H341 | 179.5° | 179.8° |
| C35 | C29 | C34 | C33 | 178.8° | 179.7° |
| C35 | C29 | C30 | H301 | 0.9° | 0.0° |
| C35 | C29 | C34 | H341 | 1.2° | 0.0° |
| C29 | C35 | C36 | H361 | 68.2° | 172.7° |
| C34 | C29 | C35 | C36 | 143.9° | 123.4° |
| C29 | C34 | C33 | H341 | 180.0° | 179.7° |
| C34 | C29 | C30 | H301 | 179.2° | 179.8° |
| C29 | C34 | C33 | H331 | 179.5° | 179.7° |
| C05 | C24 | C25 | C26 | 111.4° | 107.5° |
| C05 | C24 | C25 | H241 | 140.7° | 145.1° |
| C05 | C24 | C26 | H241 | 152.5° | 145.0° |
| C05 | C24 | C26 | H261 | 151.2° | 145.0° |
| C05 | C24 | C26 | H262 | 10.1° | 0.1° |
| C24 | C05 | C04 | H041 | 58.8° | 55.0° |
| C24 | C05 | H051 | H052 | 121.8° | 120.0° |
| C05 | C24 | C25 | H252 | 1.9° | 0.0° |
| C05 | C24 | C25 | H251 | 139.2° | 145.0° |
| C25 | C24 | C26 | H241 | 108.1° | 107.5° |
| C24 | C25 | C26 | H252 | 109.4° | 107.5° |
| C24 | C25 | C26 | H251 | 109.5° | 107.5° |
| C25 | C24 | C26 | H261 | 109.4° | 107.5° |
| C25 | C24 | C26 | H262 | 109.4° | 107.6° |
| C25 | C24 | C05 | H051 | 158.1° | 55.0° |
| C25 | C24 | C05 | H052 | 37.0° | 65.0° |
| C24 | C25 | H252 | H251 | 144.7° | 145.6° |
| C24 | C26 | H261 | H262 | 144.8° | 145.6° |
| C26 | C24 | C05 | H051 | 91.5° | 123.6° |
| C26 | C24 | C05 | H052 | 29.7° | 3.6° |
| C25 | C26 | H261 | H262 | 144.9° | 145.8° |
| C26 | C25 | H252 | H251 | 144.8° | 145.7° |
| H1 | C13 | C07 | H071 | 89.8° | 65.0° |
| H1 | C13 | C14 | H142 | 83.5° | 180.0° |
| H1 | C13 | C14 | H141 | 158.0° | 60.0° |
| H131 | C13 | C07 | H071 | 148.4° | 175.0° |
| H131 | C13 | C14 | H142 | 154.6° | 60.0° |
| H131 | C13 | C14 | H141 | 36.1° | 180.0° |
| H201 | C20 | C21 | H213 | 60.5° | 60.0° |
| H201 | C20 | C21 | H212 | 59.6° | NaN° |
| H201 | C20 | C21 | H211 | 179.5° | 60.0° |
| H202 | C20 | C21 | H213 | 60.4° | 180.0° |
| H202 | C20 | C21 | H212 | 179.6° | 60.0° |
| H202 | C20 | C21 | H211 | 59.6° | 60.0° |
| H213 | C21 | H212 | H211 | 120.0° | 120.1° |
| H221 | C22 | C23 | H231 | 29.3° | 97.2° |
| H221 | C22 | C23 | H232 | 151.1° | 26.4° |
| H221 | C22 | N11 | H111 | 79.0° | 43.6° |
| H222 | C22 | C23 | H231 | 92.4° | 24.7° |
| H222 | C22 | C23 | H232 | 29.5° | 148.4° |
| H222 | C22 | N11 | H111 | 42.6° | 78.4° |
| H241 | C24 | C26 | H261 | 1.3° | 0.0° |
| H241 | C24 | C26 | H262 | 142.5° | 144.9° |
| H241 | C24 | C05 | H051 | 61.1° | 90.7° |
| H241 | C24 | C05 | H052 | 177.7° | 149.3° |
| H241 | C24 | C25 | H252 | 142.5° | 145.0° |
| H241 | C24 | C25 | H251 | 1.5° | 0.1° |
| H261 | C26 | C25 | H252 | 141.1° | 145.0° |
| H261 | C26 | C25 | H251 | 0.0° | 0.1° |
| H262 | C26 | C25 | H252 | 0.0° | 0.1° |
| H262 | C26 | C25 | H251 | 141.1° | 145.1° |
| H281 | C28 | C27 | H271 | 178.6° | 180.0° |
| H041 | C04 | C05 | H051 | 178.2° | 65.1° |
| H041 | C04 | C05 | H052 | 60.7° | 175.0° |
| H041 | C04 | N02 | H021 | 123.1° | 145.0° |
| H071 | C07 | C08 | H082 | 70.4° | 65.2° |
| H071 | C07 | C08 | H081 | 168.7° | 174.7° |
| H071 | C07 | N06 | H061 | 166.0° | 141.4° |
| H082 | C08 | C09 | H091 | 175.1° | 176.3° |
| H081 | C08 | C09 | H091 | 63.9° | 63.7° |
| H091 | C09 | C23 | H231 | 30.4° | 24.2° |
| H091 | C09 | C23 | H232 | 152.2° | 148.0° |
| H301 | C30 | C31 | H311 | 0.0° | 0.0° |
| H331 | C33 | C34 | H341 | 0.5° | 0.1° |
