MVE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C17 | doub | 1.21Å | 1.20Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | N13 | sing | 1.47Å | 1.50Å | |
| C15 | N16 | sing | 1.47Å | 1.42Å | |
| C17 | N16 | sing | 1.35Å | 1.45Å | |
| C17 | C19 | sing | 1.51Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C21 | C19 | sing | 1.53Å | 1.53Å | |
| N16 | C22 | sing | 1.47Å | 1.43Å | |
| N13 | C12 | sing | 1.39Å | 1.47Å | |
| N13 | C23 | sing | 1.47Å | 1.52Å | |
| C24 | C12 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.40Å | 1.40Å | Aromatic |
| C12 | C11 | sing | 1.42Å | 1.44Å | Aromatic |
| C25 | N26 | doub | 1.31Å | 1.33Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C11 | N27 | sing | 1.38Å | 1.31Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.44Å | Aromatic |
| N26 | N27 | sing | 1.40Å | 1.39Å | Aromatic |
| N27 | C28 | sing | 1.35Å | 1.36Å | Aromatic |
| C10 | C09 | sing | 1.41Å | 1.41Å | Aromatic |
| C28 | C09 | doub | 1.38Å | 1.41Å | Aromatic |
| C09 | C08 | sing | 1.48Å | 1.41Å | |
| C08 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | N29 | sing | 1.33Å | 1.34Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| N29 | C30 | doub | 1.32Å | 1.36Å | Aromatic |
| C06 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
| C01 | C02 | sing | 1.53Å | 1.54Å | |
| C30 | C05 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.51Å | 1.63Å | |
| C02 | O03 | sing | 1.43Å | 1.43Å | |
| O03 | C04 | sing | 1.43Å | 1.44Å | |
| C04 | C31 | sing | 1.53Å | 1.47Å | |
| C04 | C38 | sing | 1.53Å | 1.49Å | |
| C31 | C32 | sing | 1.53Å | 1.56Å | |
| C38 | C37 | sing | 1.53Å | 1.55Å | |
| C32 | N33 | sing | 1.47Å | 1.42Å | |
| C37 | N33 | sing | 1.47Å | 1.41Å | |
| N33 | C34 | sing | 1.47Å | 1.24Å | |
| C36 | C34 | sing | 1.53Å | 1.57Å | |
| C34 | C35 | sing | 1.53Å | 1.55Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C17 | N16 | 117.9° | 120.0° |
| O18 | C17 | C19 | 122.9° | 120.0° |
| C15 | C14 | N13 | 112.1° | 108.6° |
| C14 | C15 | N16 | 104.5° | 108.7° |
| C15 | C14 | H142 | 108.8° | 109.6° |
| C15 | C14 | H141 | 108.8° | 109.6° |
| C14 | C15 | H151 | 110.7° | 109.6° |
| C14 | C15 | H152 | 110.7° | 109.6° |
| C14 | N13 | C12 | 118.8° | 120.6° |
| C14 | N13 | C23 | 110.3° | 118.8° |
| N13 | C14 | H142 | 108.8° | 109.6° |
| N13 | C14 | H141 | 108.8° | 109.6° |
| C15 | N16 | C17 | 121.4° | 120.6° |
| C15 | N16 | C22 | 112.5° | 118.9° |
| N16 | C15 | H151 | 110.7° | 109.6° |
| N16 | C15 | H152 | 110.7° | 109.6° |
| N16 | C17 | C19 | 119.2° | 120.0° |
| C17 | N16 | C22 | 125.7° | 120.5° |
| C17 | C19 | C20 | 112.3° | 117.5° |
| C17 | C19 | C21 | 119.1° | 117.5° |
| C17 | C19 | H191 | 117.5° | 115.5° |
| C21 | C20 | C19 | 59.9° | 60.0° |
| C20 | C21 | C19 | 60.0° | 60.0° |
| C21 | C20 | H202 | 120.0° | 117.5° |
| C21 | C20 | H201 | 120.0° | 117.5° |
| C20 | C21 | H211 | 120.0° | 117.5° |
| C20 | C21 | H212 | 120.0° | 117.5° |
| C20 | C19 | C21 | 60.2° | 60.0° |
| C20 | C19 | H191 | 117.4° | 117.5° |
| C19 | C20 | H202 | 120.0° | 117.5° |
| C19 | C20 | H201 | 120.0° | 117.5° |
| C21 | C19 | H191 | 117.4° | 117.5° |
| C19 | C21 | H211 | 120.0° | 117.5° |
| C19 | C21 | H212 | 120.0° | 117.5° |
| N16 | C22 | C23 | 106.0° | 108.6° |
| N16 | C22 | H221 | 110.3° | 109.7° |
| N16 | C22 | H222 | 110.3° | 109.7° |
| C12 | N13 | C23 | 120.3° | 120.6° |
| N13 | C12 | C24 | 120.4° | 120.6° |
| N13 | C12 | C11 | 121.3° | 120.6° |
| N13 | C23 | C22 | 112.6° | 108.6° |
| N13 | C23 | H232 | 108.6° | 109.6° |
| N13 | C23 | H231 | 108.6° | 109.6° |
| C12 | C24 | C25 | 119.2° | 119.8° |
| C24 | C12 | C11 | 118.2° | 118.8° |
| C12 | C24 | H241 | 120.4° | 120.0° |
| C24 | C25 | N26 | 120.4° | 121.3° |
| C25 | C24 | H241 | 120.4° | 120.1° |
| C24 | C25 | H251 | 119.8° | 119.3° |
| C12 | C11 | N27 | 119.9° | 119.4° |
| C12 | C11 | C10 | 130.9° | 132.5° |
| C25 | N26 | N27 | 120.6° | 121.2° |
| N26 | C25 | H251 | 119.8° | 119.4° |
| C23 | C22 | H221 | 110.3° | 109.6° |
| C23 | C22 | H222 | 110.3° | 109.6° |
| C22 | C23 | H232 | 108.7° | 109.6° |
| C22 | C23 | H231 | 108.7° | 109.6° |
| N27 | C11 | C10 | 109.1° | 108.2° |
| C11 | N27 | N26 | 121.6° | 119.5° |
| C11 | N27 | C28 | 110.4° | 108.8° |
| C11 | C10 | C09 | 105.2° | 106.8° |
| C11 | C10 | H101 | 127.4° | 126.6° |
| N26 | N27 | C28 | 128.0° | 131.7° |
| N27 | C28 | C09 | 108.4° | 108.8° |
| N27 | C28 | H281 | 125.8° | 125.6° |
| C10 | C09 | C28 | 106.9° | 107.4° |
| C10 | C09 | C08 | 128.0° | 126.3° |
| C09 | C10 | H101 | 127.4° | 126.5° |
| C28 | C09 | C08 | 124.9° | 126.3° |
| C09 | C28 | H281 | 125.8° | 125.6° |
| C09 | C08 | C07 | 118.4° | 119.7° |
| C09 | C08 | N29 | 120.5° | 119.7° |
| C07 | C08 | N29 | 120.9° | 120.6° |
| C08 | C07 | C06 | 121.0° | 119.1° |
| C08 | C07 | H071 | 119.5° | 120.5° |
| C08 | N29 | C30 | 119.9° | 121.5° |
| C07 | C06 | C05 | 117.4° | 118.5° |
| C07 | C06 | H061 | 121.3° | 120.7° |
| C06 | C07 | H071 | 119.5° | 120.4° |
| N29 | C30 | C05 | 121.6° | 120.9° |
| N29 | C30 | H301 | 119.2° | 119.5° |
| C06 | C05 | C30 | 119.2° | 119.4° |
| C06 | C05 | C04 | 122.1° | 120.3° |
| C05 | C06 | H061 | 121.3° | 120.8° |
| C01 | C02 | O03 | 111.4° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C01 | C02 | H022 | 109.0° | 109.5° |
| C01 | C02 | H021 | 109.0° | 109.5° |
| C30 | C05 | C04 | 118.6° | 120.3° |
| C05 | C30 | H301 | 119.2° | 119.5° |
| C05 | C04 | O03 | 113.5° | 109.6° |
| C05 | C04 | C31 | 110.9° | 109.5° |
| C05 | C04 | C38 | 102.4° | 109.5° |
| C02 | O03 | C04 | 117.9° | 114.0° |
| O03 | C02 | H022 | 109.0° | 109.4° |
| O03 | C02 | H021 | 109.0° | 109.5° |
| O03 | C04 | C31 | 109.1° | 109.5° |
| O03 | C04 | C38 | 105.6° | 109.5° |
| C31 | C04 | C38 | 115.4° | 109.1° |
| C04 | C31 | C32 | 112.3° | 109.2° |
| C04 | C31 | H312 | 108.8° | 109.5° |
| C04 | C31 | H311 | 108.8° | 109.5° |
| C04 | C38 | C37 | 113.9° | 109.3° |
| C04 | C38 | H381 | 108.3° | 109.5° |
| C04 | C38 | H382 | 108.4° | 109.6° |
| C31 | C32 | N33 | 115.8° | 109.6° |
| C32 | C31 | H312 | 108.8° | 109.5° |
| C32 | C31 | H311 | 108.7° | 109.5° |
| C31 | C32 | H322 | 107.9° | 109.4° |
| C31 | C32 | H321 | 107.9° | 109.5° |
| C38 | C37 | N33 | 115.6° | 109.5° |
| C38 | C37 | H372 | 107.9° | 109.5° |
| C38 | C37 | H371 | 107.9° | 109.5° |
| C37 | C38 | H381 | 108.4° | 109.5° |
| C37 | C38 | H382 | 108.4° | 109.5° |
| C32 | N33 | C37 | 110.3° | 111.2° |
| C32 | N33 | C34 | 108.5° | 111.0° |
| N33 | C32 | H322 | 107.9° | 109.5° |
| N33 | C32 | H321 | 107.9° | 109.5° |
| C37 | N33 | C34 | 114.3° | 111.0° |
| N33 | C37 | H372 | 107.9° | 109.4° |
| N33 | C37 | H371 | 107.9° | 109.4° |
| N33 | C34 | C36 | 106.6° | 109.5° |
| N33 | C34 | C35 | 118.3° | 109.5° |
| N33 | C34 | H341 | 111.1° | 109.5° |
| C36 | C34 | C35 | 106.9° | 109.5° |
| C36 | C34 | H341 | 106.5° | 109.5° |
| C34 | C36 | H363 | 109.5° | 109.5° |
| C34 | C36 | H362 | 109.5° | 109.4° |
| C34 | C36 | H361 | 109.5° | 109.5° |
| C35 | C34 | H341 | 106.7° | 109.4° |
| C34 | C35 | H353 | 109.5° | 109.5° |
| C34 | C35 | H352 | 109.5° | 109.4° |
| C34 | C35 | H351 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H022 | C02 | H021 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.4° | 109.8° |
| H151 | C15 | H152 | 109.5° | 109.7° |
| H202 | C20 | H201 | 109.5° | 115.5° |
| H211 | C21 | H212 | 109.4° | 115.6° |
| H221 | C22 | H222 | 109.5° | 109.7° |
| H232 | C23 | H231 | 109.5° | 109.8° |
| H312 | C31 | H311 | 109.5° | 109.5° |
| H322 | C32 | H321 | 109.4° | 109.4° |
| H353 | C35 | H352 | 109.5° | 109.5° |
| H353 | C35 | H351 | 109.5° | 109.5° |
| H352 | C35 | H351 | 109.5° | 109.5° |
| H363 | C36 | H362 | 109.5° | 109.5° |
| H363 | C36 | H361 | 109.4° | 109.5° |
| H362 | C36 | H361 | 109.5° | 109.4° |
| H372 | C37 | H371 | 109.5° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C17 | N16 | C15 | 5.0° | 0.1° |
| O18 | C17 | N16 | C19 | 178.7° | 180.0° |
| O18 | C17 | C19 | C20 | 57.5° | 0.1° |
| O18 | C17 | C19 | C21 | 9.7° | 68.7° |
| O18 | C17 | N16 | C22 | 176.9° | 179.7° |
| O18 | C17 | C19 | H191 | 161.8° | 145.6° |
| C15 | C14 | N13 | H142 | 120.4° | 119.8° |
| C15 | C14 | N13 | H141 | 120.4° | 119.7° |
| C14 | C15 | N16 | H151 | 119.2° | 119.7° |
| C14 | C15 | N16 | H152 | 119.2° | 119.8° |
| C14 | C15 | N16 | C17 | 102.3° | 124.8° |
| C14 | C15 | N16 | C22 | 70.6° | 54.9° |
| C15 | C14 | N13 | C12 | 94.8° | 124.8° |
| C15 | C14 | N13 | C23 | 50.1° | 55.5° |
| C15 | C14 | H142 | H141 | 118.8° | 120.4° |
| C14 | C15 | H151 | H152 | 122.3° | 120.4° |
| N13 | C14 | C15 | N16 | 59.2° | 49.4° |
| C14 | N13 | C12 | C23 | 141.3° | 179.7° |
| C14 | N13 | C12 | C24 | 11.5° | 61.1° |
| C14 | N13 | C12 | C11 | 166.6° | 119.0° |
| C14 | N13 | C23 | C22 | 48.0° | 55.5° |
| N13 | C14 | H142 | H141 | 118.8° | 120.4° |
| N13 | C14 | C15 | H151 | 60.0° | 70.3° |
| N13 | C14 | C15 | H152 | 178.4° | 169.2° |
| C14 | N13 | C23 | H232 | 72.5° | 64.3° |
| C14 | N13 | C23 | H231 | 168.4° | 175.2° |
| C15 | N16 | C17 | C22 | 171.9° | 179.7° |
| C15 | N16 | C17 | C19 | 176.3° | 180.0° |
| C15 | N16 | C22 | C23 | 69.0° | 54.9° |
| N16 | C15 | C14 | H142 | 61.2° | 169.1° |
| N16 | C15 | C14 | H141 | 179.6° | 70.3° |
| N16 | C15 | H151 | H152 | 122.3° | 120.4° |
| C15 | N16 | C22 | H221 | 50.4° | 174.7° |
| C15 | N16 | C22 | H222 | 171.6° | 64.8° |
| N16 | C17 | C19 | C20 | 123.8° | 179.9° |
| N16 | C17 | C19 | C21 | 169.0° | 111.2° |
| C17 | N16 | C22 | C23 | 103.5° | 124.8° |
| C17 | N16 | C15 | H151 | 138.5° | 115.5° |
| C17 | N16 | C15 | H152 | 16.9° | 5.0° |
| N16 | C17 | C19 | H191 | 16.9° | 34.5° |
| C17 | N16 | C22 | H221 | 137.0° | 5.0° |
| C17 | N16 | C22 | H222 | 15.9° | 115.5° |
| C17 | C19 | C21 | C20 | 100.4° | 107.5° |
| C17 | C19 | C20 | H191 | 140.7° | 145.0° |
| C17 | C19 | C21 | H191 | 152.1° | 145.0° |
| C19 | C17 | N16 | C22 | 4.4° | 0.3° |
| C17 | C19 | C20 | H202 | 138.8° | 0.0° |
| C17 | C19 | C20 | H201 | 2.4° | 145.0° |
| C17 | C19 | C21 | H211 | 9.0° | 145.0° |
| C17 | C19 | C21 | H212 | 150.1° | 0.0° |
| C21 | C20 | C19 | H202 | 109.4° | 107.5° |
| C21 | C20 | C19 | H201 | 109.4° | 107.5° |
| C20 | C21 | C19 | H211 | 109.5° | 107.5° |
| C20 | C21 | C19 | H212 | 109.5° | 107.5° |
| C21 | C20 | C19 | H191 | 107.5° | 107.5° |
| C21 | C20 | H202 | H201 | 144.8° | 145.8° |
| C20 | C21 | H211 | H212 | 144.7° | 145.6° |
| C19 | C20 | H202 | H201 | 144.8° | 145.6° |
| C19 | C21 | H211 | H212 | 144.8° | 145.7° |
| N16 | C22 | C23 | N13 | 54.8° | 49.3° |
| N16 | C22 | C23 | H221 | 119.4° | 119.8° |
| N16 | C22 | C23 | H222 | 119.5° | 119.8° |
| C22 | N16 | C15 | H151 | 48.6° | 64.8° |
| C22 | N16 | C15 | H152 | 170.2° | 174.7° |
| N16 | C22 | H221 | H222 | 121.6° | 120.5° |
| N16 | C22 | C23 | H232 | 65.6° | 70.4° |
| N16 | C22 | C23 | H231 | 175.3° | 169.0° |
| N13 | C12 | C24 | C11 | 178.2° | 179.9° |
| N13 | C12 | C24 | C25 | 179.7° | 180.0° |
| C12 | N13 | C23 | C22 | 96.3° | 124.8° |
| N13 | C12 | C11 | N27 | 180.0° | 180.0° |
| N13 | C12 | C11 | C10 | 1.0° | 0.1° |
| C12 | N13 | C14 | H142 | 144.8° | 5.0° |
| C12 | N13 | C14 | H141 | 25.6° | 115.5° |
| C12 | N13 | C23 | H232 | 143.3° | 115.4° |
| C12 | N13 | C23 | H231 | 24.2° | 5.1° |
| N13 | C12 | C24 | H241 | 0.3° | 0.1° |
| C23 | N13 | C12 | C24 | 129.8° | 119.2° |
| C23 | N13 | C12 | C11 | 52.2° | 60.7° |
| N13 | C23 | C22 | H232 | 120.4° | 119.7° |
| N13 | C23 | C22 | H231 | 120.4° | 119.7° |
| C23 | N13 | C14 | H142 | 70.3° | 175.3° |
| C23 | N13 | C14 | H141 | 170.5° | 64.2° |
| N13 | C23 | C22 | H221 | 64.6° | 169.1° |
| N13 | C23 | C22 | H222 | 174.3° | 70.5° |
| N13 | C23 | H232 | H231 | 118.5° | 120.4° |
| C12 | C24 | C25 | H241 | 180.0° | 179.9° |
| C12 | C24 | C25 | N26 | 2.0° | 0.1° |
| C24 | C12 | C11 | N27 | 1.9° | 0.1° |
| C24 | C12 | C11 | C10 | 179.2° | 180.0° |
| C12 | C24 | C25 | H251 | 178.0° | 180.0° |
| C25 | C24 | C12 | C11 | 2.1° | 0.1° |
| C24 | C25 | N26 | H251 | 180.0° | 179.9° |
| C24 | C25 | N26 | N27 | 1.5° | 0.1° |
| C12 | C11 | N27 | C10 | 179.2° | 180.0° |
| C12 | C11 | N27 | N26 | 1.5° | 0.0° |
| C12 | C11 | N27 | C28 | 179.8° | 179.8° |
| C12 | C11 | C10 | C09 | 179.3° | 180.0° |
| C12 | C11 | C10 | H101 | 0.7° | 0.3° |
| C11 | C12 | C24 | H241 | 177.9° | 179.9° |
| C25 | N26 | N27 | C11 | 1.3° | 0.0° |
| C25 | N26 | N27 | C28 | 179.8° | 179.7° |
| N26 | C25 | C24 | H241 | 178.0° | 179.9° |
| C23 | C22 | H221 | H222 | 121.6° | 120.4° |
| C22 | C23 | H232 | H231 | 118.6° | 120.5° |
| C11 | N27 | N26 | C28 | 178.6° | 179.8° |
| N27 | C11 | C10 | C09 | 1.6° | 0.1° |
| C11 | N27 | C28 | C09 | 0.7° | 0.4° |
| N27 | C11 | C10 | H101 | 178.4° | 179.7° |
| C11 | N27 | C28 | H281 | 179.3° | 180.0° |
| C10 | C11 | N27 | N26 | 179.4° | 180.0° |
| C10 | C11 | N27 | C28 | 0.6° | 0.2° |
| C11 | C10 | C09 | H101 | 180.0° | 179.7° |
| C11 | C10 | C09 | C28 | 2.0° | 0.3° |
| C11 | C10 | C09 | C08 | 175.9° | 179.8° |
| N26 | N27 | C28 | C09 | 178.0° | 179.8° |
| N27 | N26 | C25 | H251 | 178.5° | 180.0° |
| N26 | N27 | C28 | H281 | 2.0° | 0.3° |
| N27 | C28 | C09 | C10 | 1.7° | 0.4° |
| N27 | C28 | C09 | H281 | 180.0° | 179.6° |
| N27 | C28 | C09 | C08 | 175.9° | 179.7° |
| C10 | C09 | C28 | C08 | 174.2° | 179.9° |
| C10 | C09 | C08 | C07 | 12.3° | 180.0° |
| C10 | C09 | C08 | N29 | 172.5° | 0.0° |
| C10 | C09 | C28 | H281 | 178.3° | 180.0° |
| C28 | C09 | C08 | C07 | 160.6° | 0.1° |
| C28 | C09 | C08 | N29 | 14.6° | 179.9° |
| C28 | C09 | C10 | H101 | 178.0° | 179.9° |
| C09 | C08 | C07 | N29 | 175.2° | 180.0° |
| C09 | C08 | C07 | C06 | 176.9° | 180.0° |
| C09 | C08 | N29 | C30 | 176.1° | 179.7° |
| C08 | C09 | C10 | H101 | 4.1° | 0.1° |
| C09 | C08 | C07 | H071 | 3.1° | 0.0° |
| C08 | C09 | C28 | H281 | 4.1° | 0.1° |
| C08 | C07 | C06 | H071 | 180.0° | 180.0° |
| C07 | C08 | N29 | C30 | 1.0° | 0.3° |
| C08 | C07 | C06 | C05 | 0.5° | 0.0° |
| C08 | C07 | C06 | H061 | 179.5° | 180.0° |
| N29 | C08 | C07 | C06 | 1.7° | 0.0° |
| C08 | N29 | C30 | C05 | 0.9° | 0.5° |
| N29 | C08 | C07 | H071 | 178.3° | 180.0° |
| C08 | N29 | C30 | H301 | 179.1° | 179.7° |
| C07 | C06 | C05 | H061 | 180.0° | 180.0° |
| C07 | C06 | C05 | C30 | 1.4° | 0.2° |
| C07 | C06 | C05 | C04 | 179.3° | 180.0° |
| N29 | C30 | C05 | C06 | 2.1° | 0.5° |
| N29 | C30 | C05 | H301 | 180.0° | 179.8° |
| N29 | C30 | C05 | C04 | 179.9° | 179.7° |
| C06 | C05 | C30 | C04 | 178.0° | 179.8° |
| C06 | C05 | C04 | O03 | 116.7° | 28.6° |
| C06 | C05 | C04 | C31 | 6.5° | 91.6° |
| C06 | C05 | C04 | C38 | 130.1° | 148.8° |
| C05 | C06 | C07 | H071 | 179.5° | 179.9° |
| C06 | C05 | C30 | H301 | 177.9° | 179.7° |
| C01 | C02 | O03 | H022 | 120.3° | 120.0° |
| C01 | C02 | O03 | H021 | 120.3° | 120.0° |
| C01 | C02 | O03 | C04 | 154.8° | 174.6° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C01 | C02 | H022 | H021 | 119.1° | 120.1° |
| C30 | C05 | C04 | O03 | 65.4° | 151.5° |
| C30 | C05 | C04 | C31 | 171.4° | 88.3° |
| C30 | C05 | C04 | C38 | 47.9° | 31.4° |
| C30 | C05 | C06 | H061 | 178.6° | 179.8° |
| C05 | C04 | O03 | C02 | 79.0° | 66.0° |
| C05 | C04 | O03 | C31 | 124.1° | 120.2° |
| C05 | C04 | O03 | C38 | 111.3° | 120.2° |
| C05 | C04 | C31 | C38 | 115.8° | 119.8° |
| C05 | C04 | C31 | C32 | 148.9° | 177.5° |
| C05 | C04 | C38 | C37 | 162.0° | 177.5° |
| C04 | C05 | C06 | H061 | 0.7° | 0.0° |
| C04 | C05 | C30 | H301 | 0.1° | 0.1° |
| C05 | C04 | C31 | H312 | 28.5° | 57.6° |
| C05 | C04 | C31 | H311 | 90.6° | 62.5° |
| C05 | C04 | C38 | H381 | 77.4° | 62.5° |
| C05 | C04 | C38 | H382 | 41.3° | 57.6° |
| C02 | O03 | C04 | C31 | 45.1° | 173.8° |
| C02 | O03 | C04 | C38 | 169.7° | 54.2° |
| O03 | C02 | C01 | H013 | 180.0° | 60.0° |
| O03 | C02 | C01 | H012 | 60.0° | 60.0° |
| O03 | C02 | C01 | H011 | 60.0° | 180.0° |
| O03 | C02 | H022 | H021 | 119.1° | 120.0° |
| O03 | C04 | C31 | C38 | 118.5° | 119.9° |
| O03 | C04 | C31 | C32 | 85.4° | 62.2° |
| O03 | C04 | C38 | C37 | 79.0° | 62.2° |
| C04 | O03 | C02 | H022 | 34.5° | 65.4° |
| C04 | O03 | C02 | H021 | 84.9° | 54.5° |
| O03 | C04 | C31 | H312 | 154.2° | 177.8° |
| O03 | C04 | C31 | H311 | 35.0° | 57.7° |
| O03 | C04 | C38 | H381 | 41.6° | 57.7° |
| O03 | C04 | C38 | H382 | 160.3° | 177.8° |
| C04 | C31 | C32 | H312 | 120.4° | 119.9° |
| C04 | C31 | C32 | H311 | 120.4° | 119.9° |
| C31 | C04 | C38 | C37 | 41.4° | 57.7° |
| C04 | C31 | C32 | N33 | 16.6° | 59.2° |
| C04 | C31 | H312 | H311 | 118.7° | 120.1° |
| C04 | C31 | C32 | H322 | 104.4° | 179.2° |
| C04 | C31 | C32 | H321 | 137.5° | 60.9° |
| C31 | C04 | C38 | H381 | 162.1° | 177.6° |
| C31 | C04 | C38 | H382 | 79.2° | 62.3° |
| C38 | C04 | C31 | C32 | 33.2° | 57.7° |
| C04 | C38 | C37 | H381 | 120.6° | 119.9° |
| C04 | C38 | C37 | H382 | 120.7° | 120.0° |
| C04 | C38 | C37 | N33 | 0.7° | 59.2° |
| C38 | C04 | C31 | H312 | 87.3° | 62.3° |
| C38 | C04 | C31 | H311 | 153.6° | 177.6° |
| C04 | C38 | C37 | H372 | 121.6° | 60.8° |
| C04 | C38 | C37 | H371 | 120.2° | 179.2° |
| C04 | C38 | H381 | H382 | 118.0° | 120.1° |
| C31 | C32 | N33 | H322 | 120.9° | 120.0° |
| C31 | C32 | N33 | H321 | 120.9° | 120.1° |
| C31 | C32 | N33 | C37 | 58.6° | 61.7° |
| C31 | C32 | N33 | C34 | 175.4° | 62.3° |
| C32 | C31 | H312 | H311 | 118.7° | 120.2° |
| C31 | C32 | H322 | H321 | 117.1° | 119.9° |
| C38 | C37 | N33 | C32 | 49.4° | 61.7° |
| C38 | C37 | N33 | H372 | 120.9° | 120.0° |
| C38 | C37 | N33 | H371 | 120.9° | 120.0° |
| C38 | C37 | N33 | C34 | 172.0° | 62.3° |
| C38 | C37 | H372 | H371 | 117.2° | 120.0° |
| C37 | C38 | H381 | H382 | 118.0° | 120.1° |
| C32 | N33 | C37 | C34 | 122.6° | 124.0° |
| C32 | N33 | C34 | C36 | 86.3° | 179.8° |
| C32 | N33 | C34 | C35 | 153.3° | 59.8° |
| N33 | C32 | C31 | H312 | 137.0° | 60.7° |
| N33 | C32 | C31 | H311 | 103.9° | 179.1° |
| N33 | C32 | H322 | H321 | 117.1° | 120.0° |
| C32 | N33 | C34 | H341 | 29.4° | 60.1° |
| C32 | N33 | C37 | H372 | 170.3° | 58.3° |
| C32 | N33 | C37 | H371 | 71.5° | 178.3° |
| C37 | N33 | C34 | C36 | 150.1° | 56.0° |
| C37 | N33 | C34 | C35 | 29.8° | 176.0° |
| C37 | N33 | C32 | H322 | 62.3° | 178.3° |
| C37 | N33 | C32 | H321 | 179.5° | 58.3° |
| C37 | N33 | C34 | H341 | 94.2° | 64.0° |
| N33 | C37 | H372 | H371 | 117.2° | 119.9° |
| N33 | C37 | C38 | H381 | 119.9° | 179.1° |
| N33 | C37 | C38 | H382 | 121.4° | 60.8° |
| N33 | C34 | C36 | C35 | 127.5° | 120.0° |
| N33 | C34 | C36 | H341 | 118.8° | 120.1° |
| N33 | C34 | C35 | H341 | 126.1° | 120.0° |
| C34 | N33 | C32 | H322 | 63.6° | 57.7° |
| C34 | N33 | C32 | H321 | 54.5° | 177.6° |
| N33 | C34 | C35 | H353 | 180.0° | 60.0° |
| N33 | C34 | C35 | H352 | 60.0° | 60.0° |
| N33 | C34 | C35 | H351 | 60.0° | 180.0° |
| N33 | C34 | C36 | H363 | 180.0° | 52.2° |
| N33 | C34 | C36 | H362 | 60.0° | 67.8° |
| N33 | C34 | C36 | H361 | 60.0° | 172.2° |
| C34 | N33 | C37 | H372 | 67.1° | 177.7° |
| C34 | N33 | C37 | H371 | 51.1° | 57.7° |
| C36 | C34 | C35 | H341 | 113.7° | 120.0° |
| C36 | C34 | C35 | H353 | 59.8° | 180.0° |
| C36 | C34 | C35 | H352 | 60.2° | 60.0° |
| C36 | C34 | C35 | H351 | 179.8° | 60.0° |
| C34 | C36 | H363 | H362 | 120.0° | 120.0° |
| C34 | C36 | H363 | H361 | 120.0° | 120.1° |
| C34 | C36 | H362 | H361 | 120.0° | 120.0° |
| C34 | C35 | H353 | H352 | 120.0° | 119.9° |
| C34 | C35 | H353 | H351 | 120.0° | 120.0° |
| C34 | C35 | H352 | H351 | 120.0° | 120.0° |
| C35 | C34 | C36 | H363 | 52.5° | 67.8° |
| C35 | C34 | C36 | H362 | 172.5° | 172.2° |
| C35 | C34 | C36 | H361 | 67.5° | 52.3° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H013 | C01 | C02 | H022 | 59.7° | 60.0° |
| H013 | C01 | C02 | H021 | 59.7° | 180.0° |
| H012 | C01 | C02 | H022 | 60.3° | 180.0° |
| H012 | C01 | C02 | H021 | 179.8° | 60.0° |
| H011 | C01 | C02 | H022 | 179.7° | 60.1° |
| H011 | C01 | C02 | H021 | 60.3° | 60.0° |
| H061 | C06 | C07 | H071 | 0.5° | 0.1° |
| H142 | C14 | C15 | H151 | 179.6° | 49.4° |
| H142 | C14 | C15 | H152 | 58.0° | 71.1° |
| H141 | C14 | C15 | H151 | 60.4° | 170.0° |
| H141 | C14 | C15 | H152 | 61.2° | 49.5° |
| H191 | C19 | C20 | H202 | 1.9° | 144.9° |
| H191 | C19 | C20 | H201 | 143.1° | 0.0° |
| H191 | C19 | C21 | H211 | 143.1° | 0.0° |
| H191 | C19 | C21 | H212 | 2.0° | 145.0° |
| H202 | C20 | C21 | H211 | 141.1° | 145.1° |
| H202 | C20 | C21 | H212 | 0.1° | 0.1° |
| H201 | C20 | C21 | H211 | 0.1° | 0.0° |
| H201 | C20 | C21 | H212 | 141.1° | 145.0° |
| H221 | C22 | C23 | H232 | 174.9° | 49.4° |
| H221 | C22 | C23 | H231 | 55.8° | 71.2° |
| H222 | C22 | C23 | H232 | 53.8° | 169.8° |
| H222 | C22 | C23 | H231 | 65.3° | 49.2° |
| H241 | C24 | C25 | H251 | 2.0° | 0.1° |
| H312 | C31 | C32 | H322 | 16.1° | 59.3° |
| H312 | C31 | C32 | H321 | 102.0° | 179.2° |
| H311 | C31 | C32 | H322 | 135.2° | 60.8° |
| H311 | C31 | C32 | H321 | 17.1° | 59.1° |
| H341 | C34 | C35 | H353 | 53.9° | 60.1° |
| H341 | C34 | C35 | H352 | 173.9° | 179.9° |
| H341 | C34 | C35 | H351 | 66.1° | 60.0° |
| H341 | C34 | C36 | H363 | 61.3° | 172.3° |
| H341 | C34 | C36 | H362 | 58.8° | 52.3° |
| H341 | C34 | C36 | H361 | 178.8° | 67.7° |
| H353 | C35 | H352 | H351 | 120.0° | 120.1° |
| H363 | C36 | H362 | H361 | 120.0° | 120.0° |
| H372 | C37 | C38 | H381 | 1.0° | 59.2° |
| H372 | C37 | C38 | H382 | 117.7° | 179.2° |
| H371 | C37 | C38 | H381 | 119.2° | 60.9° |
| H371 | C37 | C38 | H382 | 0.5° | 59.2° |
