YT2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C13 | sing | 1.38Å | 1.42Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.52Å | 1.56Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C09 | sing | 1.54Å | 1.53Å | |
| C11 | N06 | sing | 1.47Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C14 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C07 | N06 | sing | 1.47Å | 1.54Å | |
| C07 | C08 | sing | 1.53Å | 1.54Å | |
| N06 | C05 | sing | 1.39Å | 1.48Å | |
| C10 | C09 | sing | 1.52Å | 1.46Å | |
| O37 | C02 | sing | 1.43Å | 1.40Å | |
| C09 | C08 | sing | 1.52Å | 1.46Å | |
| C09 | C15 | sing | 1.54Å | 1.51Å | |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.51Å | 1.53Å | |
| C15 | N16 | sing | 1.47Å | 1.44Å | |
| C05 | C03 | doub | 1.40Å | 1.41Å | Aromatic |
| C05 | N21 | sing | 1.32Å | 1.33Å | Aromatic |
| C03 | N04 | sing | 1.31Å | 1.35Å | Aromatic |
| N21 | C22 | doub | 1.33Å | 1.37Å | Aromatic |
| N04 | C23 | doub | 1.33Å | 1.35Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.38Å | 1.42Å | Aromatic |
| C22 | C23 | sing | 1.41Å | 1.37Å | Aromatic |
| C22 | N36 | sing | 1.37Å | 1.37Å | Aromatic |
| C23 | C24 | sing | 1.46Å | 1.45Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.42Å | Aromatic |
| C33 | N34 | doub | 1.32Å | 1.34Å | Aromatic |
| N36 | N35 | sing | 1.40Å | 1.38Å | Aromatic |
| C24 | N35 | doub | 1.31Å | 1.33Å | Aromatic |
| C24 | N25 | sing | 1.40Å | 1.47Å | |
| C30 | N25 | sing | 1.40Å | 1.49Å | |
| C30 | C29 | doub | 1.39Å | 1.41Å | Aromatic |
| N34 | C29 | sing | 1.32Å | 1.35Å | Aromatic |
| N25 | C26 | sing | 1.47Å | 1.44Å | |
| C29 | C28 | sing | 1.51Å | 1.57Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C28 | C27 | sing | 1.53Å | 1.52Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | 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 | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| N16 | H163 | sing | 1.01Å | 1.00Å | |
| N16 | H161 | sing | 1.01Å | 1.00Å | |
| N36 | H361 | sing | 0.97Å | 1.00Å | |
| O37 | H371 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C20 | C13 | 120.1° | 120.2° |
| C20 | C19 | C18 | 120.3° | 119.9° |
| C20 | C19 | H191 | 119.8° | 120.0° |
| C19 | C20 | H201 | 120.0° | 119.9° |
| C20 | C13 | C12 | 131.6° | 130.4° |
| C20 | C13 | C14 | 119.0° | 119.9° |
| C13 | C20 | H201 | 119.9° | 119.9° |
| C19 | C18 | C17 | 119.9° | 119.9° |
| C19 | C18 | H181 | 120.0° | 120.0° |
| C18 | C19 | H191 | 119.9° | 120.0° |
| C12 | C13 | C14 | 109.3° | 109.8° |
| C13 | C12 | C09 | 107.4° | 105.0° |
| C13 | C12 | H121 | 110.0° | 110.3° |
| C13 | C12 | H122 | 110.0° | 110.4° |
| C13 | C14 | C17 | 121.1° | 119.8° |
| C13 | C14 | C15 | 108.6° | 109.8° |
| C18 | C17 | C14 | 119.6° | 120.2° |
| C17 | C18 | H181 | 120.1° | 120.0° |
| C18 | C17 | H171 | 120.2° | 119.9° |
| C12 | C09 | C10 | 91.6° | 110.7° |
| C12 | C09 | C08 | 115.3° | 110.6° |
| C12 | C09 | C15 | 104.6° | 103.1° |
| C09 | C12 | H121 | 110.0° | 110.3° |
| C09 | C12 | H122 | 110.0° | 110.4° |
| N06 | C11 | C10 | 114.6° | 109.4° |
| C11 | N06 | C07 | 105.8° | 111.4° |
| C11 | N06 | C05 | 120.7° | 111.0° |
| N06 | C11 | H112 | 108.2° | 109.5° |
| N06 | C11 | H111 | 108.2° | 109.5° |
| C11 | C10 | C09 | 117.5° | 109.3° |
| C11 | C10 | H101 | 107.4° | 109.5° |
| C11 | C10 | H102 | 107.4° | 109.5° |
| C10 | C11 | H112 | 108.2° | 109.5° |
| C10 | C11 | H111 | 108.2° | 109.5° |
| C17 | C14 | C15 | 130.3° | 130.4° |
| C14 | C17 | H171 | 120.2° | 119.9° |
| C14 | C15 | C09 | 109.7° | 105.0° |
| C14 | C15 | N16 | 109.4° | 110.3° |
| C14 | C15 | H151 | 109.5° | 110.3° |
| N06 | C07 | C08 | 113.2° | 109.4° |
| C07 | N06 | C05 | 117.5° | 111.0° |
| N06 | C07 | H072 | 108.5° | 109.5° |
| N06 | C07 | H071 | 108.5° | 109.5° |
| C07 | C08 | C09 | 113.3° | 109.4° |
| C08 | C07 | H072 | 108.5° | 109.5° |
| C08 | C07 | H071 | 108.6° | 109.4° |
| C07 | C08 | H082 | 108.5° | 109.5° |
| C07 | C08 | H081 | 108.5° | 109.5° |
| N06 | C05 | C03 | 124.1° | 119.8° |
| N06 | C05 | N21 | 116.8° | 119.8° |
| C10 | C09 | C08 | 113.0° | 110.9° |
| C10 | C09 | C15 | 137.5° | 110.6° |
| C09 | C10 | H101 | 107.4° | 109.6° |
| C09 | C10 | H102 | 107.4° | 109.5° |
| O37 | C02 | C01 | 108.9° | 109.5° |
| O37 | C02 | C03 | 107.3° | 109.5° |
| O37 | C02 | H021 | 111.1° | 109.5° |
| C02 | O37 | H371 | 109.5° | 114.0° |
| C08 | C09 | C15 | 95.3° | 110.7° |
| C09 | C08 | H082 | 108.5° | 109.5° |
| C09 | C08 | H081 | 108.5° | 109.6° |
| C09 | C15 | N16 | 107.7° | 110.3° |
| C09 | C15 | H151 | 109.8° | 110.4° |
| C01 | C02 | C03 | 111.1° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.4° | 109.5° |
| C01 | C02 | H021 | 109.2° | 109.4° |
| C02 | C03 | C05 | 122.1° | 119.9° |
| C02 | C03 | N04 | 117.7° | 119.8° |
| C03 | C02 | H021 | 109.2° | 109.5° |
| N16 | C15 | H151 | 110.7° | 110.3° |
| C15 | N16 | H163 | 109.5° | 111.0° |
| C15 | N16 | H161 | 109.5° | 111.0° |
| C03 | C05 | N21 | 119.0° | 120.4° |
| C05 | C03 | N04 | 120.1° | 120.4° |
| C05 | N21 | C22 | 120.7° | 119.8° |
| C03 | N04 | C23 | 120.2° | 119.8° |
| N21 | C22 | C23 | 120.3° | 119.6° |
| N21 | C22 | N36 | 131.5° | 133.5° |
| N04 | C23 | C22 | 119.6° | 120.0° |
| N04 | C23 | C24 | 134.0° | 133.8° |
| C31 | C32 | C33 | 119.2° | 119.0° |
| C32 | C31 | C30 | 118.6° | 118.4° |
| C31 | C32 | H321 | 120.4° | 120.5° |
| C32 | C31 | H311 | 120.7° | 120.8° |
| C32 | C33 | N34 | 120.9° | 121.0° |
| C33 | C32 | H321 | 120.4° | 120.5° |
| C32 | C33 | H331 | 119.6° | 119.5° |
| C23 | C22 | N36 | 108.3° | 106.8° |
| C22 | C23 | C24 | 106.4° | 106.2° |
| C22 | N36 | N35 | 108.6° | 109.3° |
| C22 | N36 | H361 | 125.7° | 125.3° |
| C23 | C24 | N35 | 107.3° | 107.6° |
| C23 | C24 | N25 | 128.9° | 126.2° |
| C31 | C30 | N25 | 120.8° | 119.4° |
| C31 | C30 | C29 | 118.9° | 119.4° |
| C30 | C31 | H311 | 120.7° | 120.7° |
| C33 | N34 | C29 | 121.4° | 122.1° |
| N34 | C33 | H331 | 119.5° | 119.5° |
| N36 | N35 | C24 | 109.5° | 110.1° |
| N35 | N36 | H361 | 125.7° | 125.4° |
| N35 | C24 | N25 | 123.8° | 126.2° |
| C24 | N25 | C30 | 121.9° | 120.5° |
| C24 | N25 | C26 | 115.9° | 120.6° |
| N25 | C30 | C29 | 120.3° | 121.1° |
| C30 | N25 | C26 | 120.7° | 118.9° |
| C30 | C29 | N34 | 121.1° | 120.0° |
| C30 | C29 | C28 | 120.5° | 121.2° |
| N34 | C29 | C28 | 118.5° | 118.8° |
| N25 | C26 | C27 | 117.2° | 107.7° |
| N25 | C26 | H261 | 107.5° | 109.8° |
| N25 | C26 | H262 | 107.5° | 109.9° |
| C29 | C28 | C27 | 112.5° | 110.5° |
| C29 | C28 | H282 | 108.7° | 109.3° |
| C29 | C28 | H281 | 108.7° | 109.2° |
| C26 | C27 | C28 | 114.7° | 108.9° |
| C27 | C26 | H261 | 107.5° | 109.8° |
| C27 | C26 | H262 | 107.5° | 109.8° |
| C26 | C27 | H272 | 108.2° | 109.5° |
| C26 | C27 | H271 | 108.1° | 109.5° |
| C28 | C27 | H272 | 108.1° | 109.6° |
| C28 | C27 | H271 | 108.1° | 109.7° |
| C27 | C28 | H282 | 108.7° | 109.4° |
| C27 | C28 | H281 | 108.7° | 109.3° |
| H101 | C10 | H102 | 109.4° | 109.4° |
| H121 | C12 | H122 | 109.5° | 110.3° |
| H012 | C01 | H013 | 109.4° | 109.4° |
| H012 | C01 | H011 | 109.4° | 109.4° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.6° |
| H082 | C08 | H081 | 109.5° | 109.5° |
| H112 | C11 | H111 | 109.4° | 109.4° |
| H261 | C26 | H262 | 109.5° | 109.8° |
| H272 | C27 | H271 | 109.5° | 109.6° |
| H282 | C28 | H281 | 109.5° | 109.1° |
| H163 | N16 | H161 | 109.5° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C20 | C13 | H201 | 180.0° | 179.9° |
| C20 | C19 | C18 | H191 | 180.0° | 179.9° |
| C19 | C20 | C13 | C12 | 179.5° | 179.9° |
| C19 | C20 | C13 | C14 | 0.2° | 0.1° |
| C20 | C19 | C18 | C17 | 0.1° | 0.1° |
| C20 | C19 | C18 | H181 | 179.9° | 179.9° |
| C13 | C20 | C19 | C18 | 0.3° | 0.0° |
| C20 | C13 | C12 | C14 | 179.7° | 179.9° |
| C20 | C13 | C12 | C09 | 175.3° | 163.2° |
| C20 | C13 | C14 | C17 | 0.2° | 0.1° |
| C20 | C13 | C14 | C15 | 178.8° | 179.8° |
| C20 | C13 | C12 | H121 | 65.0° | 78.0° |
| C20 | C13 | C12 | H122 | 55.6° | 44.2° |
| C13 | C20 | C19 | H191 | 179.7° | 180.0° |
| C19 | C18 | C17 | H181 | 180.0° | 180.0° |
| C19 | C18 | C17 | C14 | 0.3° | 0.0° |
| C19 | C18 | C17 | H171 | 179.8° | 180.0° |
| C18 | C19 | C20 | H201 | 179.7° | 180.0° |
| C13 | C12 | C09 | H121 | 119.7° | 118.8° |
| C13 | C12 | C09 | H122 | 119.7° | 119.0° |
| C12 | C13 | C14 | C17 | 179.9° | 180.0° |
| C12 | C13 | C14 | C15 | 1.4° | 0.1° |
| C13 | C12 | C09 | C10 | 146.6° | 144.0° |
| C13 | C12 | C09 | C08 | 96.9° | 92.7° |
| C13 | C12 | C09 | C15 | 6.3° | 25.6° |
| C13 | C12 | H121 | H122 | 121.0° | 122.3° |
| C12 | C13 | C20 | H201 | 0.5° | 0.0° |
| C13 | C14 | C17 | C18 | 0.4° | 0.1° |
| C14 | C13 | C12 | C09 | 5.0° | 16.7° |
| C13 | C14 | C17 | C15 | 178.3° | 179.9° |
| C13 | C14 | C15 | C09 | 2.7° | 16.5° |
| C13 | C14 | C15 | N16 | 115.2° | 102.4° |
| C14 | C13 | C12 | H121 | 114.6° | 102.2° |
| C14 | C13 | C12 | H122 | 124.7° | 135.6° |
| C13 | C14 | C15 | H151 | 123.2° | 135.5° |
| C13 | C14 | C17 | H171 | 179.6° | 179.9° |
| C14 | C13 | C20 | H201 | 179.8° | 179.9° |
| C18 | C17 | C14 | H171 | 180.0° | 180.0° |
| C18 | C17 | C14 | C15 | 178.7° | 179.8° |
| C17 | C18 | C19 | H191 | 179.9° | 180.0° |
| C12 | C09 | C10 | C11 | 76.3° | 179.1° |
| C12 | C09 | C15 | C14 | 5.6° | 25.6° |
| C12 | C09 | C08 | C07 | 56.6° | 179.2° |
| C12 | C09 | C10 | C08 | 118.4° | 123.2° |
| C12 | C09 | C10 | C15 | 113.9° | 113.7° |
| C12 | C09 | C08 | C15 | 108.9° | 113.7° |
| C12 | C09 | C15 | N16 | 113.3° | 93.3° |
| C12 | C09 | C10 | H101 | 44.9° | 60.9° |
| C12 | C09 | C10 | H102 | 162.5° | 59.1° |
| C09 | C12 | H121 | H122 | 121.0° | 122.2° |
| C12 | C09 | C15 | H151 | 126.0° | 144.5° |
| C12 | C09 | C08 | H082 | 177.1° | 60.9° |
| C12 | C09 | C08 | H081 | 64.0° | 59.2° |
| N06 | C11 | C10 | H112 | 120.8° | 120.0° |
| N06 | C11 | C10 | H111 | 120.8° | 120.0° |
| C11 | N06 | C07 | C05 | 138.2° | 124.2° |
| C11 | N06 | C07 | C08 | 56.3° | 62.2° |
| N06 | C11 | C10 | C09 | 45.7° | 58.0° |
| C11 | N06 | C05 | C03 | 55.7° | 119.7° |
| C11 | N06 | C05 | N21 | 124.1° | 60.2° |
| N06 | C11 | C10 | H101 | 166.9° | 178.0° |
| N06 | C11 | C10 | H102 | 75.5° | 62.0° |
| C11 | N06 | C07 | H072 | 176.9° | 177.8° |
| C11 | N06 | C07 | H071 | 64.3° | 57.6° |
| N06 | C11 | H112 | H111 | 117.7° | 120.0° |
| C10 | C11 | N06 | C07 | 50.1° | 62.3° |
| C10 | C11 | N06 | C05 | 86.5° | 173.5° |
| C11 | C10 | C09 | H101 | 121.2° | 120.0° |
| C11 | C10 | C09 | H102 | 121.2° | 120.0° |
| C11 | C10 | C09 | C08 | 42.1° | 56.0° |
| C11 | C10 | C09 | C15 | 169.8° | 67.2° |
| C11 | C10 | H101 | H102 | 116.3° | 120.0° |
| C10 | C11 | H112 | H111 | 117.7° | 120.1° |
| C17 | C14 | C15 | C09 | 175.8° | 163.4° |
| C17 | C14 | C15 | N16 | 66.3° | 77.7° |
| C17 | C14 | C15 | H151 | 55.2° | 44.4° |
| C14 | C17 | C18 | H181 | 179.7° | 180.0° |
| C14 | C15 | C09 | C10 | 114.8° | 144.0° |
| C14 | C15 | C09 | C08 | 112.2° | 92.7° |
| C14 | C15 | C09 | N16 | 119.0° | 118.9° |
| C14 | C15 | C09 | H151 | 120.4° | 118.9° |
| C14 | C15 | N16 | H151 | 120.8° | 122.1° |
| C15 | C14 | C17 | H171 | 1.3° | 0.2° |
| C14 | C15 | N16 | H163 | 180.0° | 61.5° |
| C14 | C15 | N16 | H161 | 60.0° | 62.5° |
| N06 | C07 | C08 | H072 | 120.5° | 120.0° |
| N06 | C07 | C08 | H071 | 120.6° | 119.9° |
| N06 | C07 | C08 | C09 | 57.4° | 58.0° |
| C07 | N06 | C05 | C03 | 172.5° | 115.8° |
| C07 | N06 | C05 | N21 | 7.7° | 64.2° |
| N06 | C07 | H072 | H071 | 118.3° | 120.1° |
| N06 | C07 | C08 | H082 | 63.1° | 177.9° |
| N06 | C07 | C08 | H081 | 178.0° | 62.1° |
| C07 | N06 | C11 | H112 | 70.7° | 57.7° |
| C07 | N06 | C11 | H111 | 170.8° | 177.7° |
| C08 | C07 | N06 | C05 | 81.9° | 173.5° |
| C07 | C08 | C09 | C10 | 47.0° | 55.9° |
| C07 | C08 | C09 | H082 | 120.6° | 119.9° |
| C07 | C08 | C09 | H081 | 120.6° | 120.0° |
| C07 | C08 | C09 | C15 | 165.5° | 67.2° |
| C08 | C07 | H072 | H071 | 118.3° | 120.0° |
| C07 | C08 | H082 | H081 | 118.3° | 120.0° |
| N06 | C05 | C03 | C02 | 0.3° | 0.0° |
| N06 | C05 | C03 | N21 | 179.8° | 179.9° |
| N06 | C05 | C03 | N04 | 179.6° | 180.0° |
| N06 | C05 | N21 | C22 | 179.6° | 180.0° |
| C05 | N06 | C07 | H072 | 38.7° | 53.6° |
| C05 | N06 | C07 | H071 | 157.5° | 66.6° |
| C05 | N06 | C11 | H112 | 152.7° | 66.5° |
| C05 | N06 | C11 | H111 | 34.2° | 53.5° |
| C10 | C09 | C08 | C15 | 147.5° | 123.1° |
| C10 | C09 | C15 | N16 | 4.2° | 25.1° |
| C09 | C10 | H101 | H102 | 116.3° | 120.1° |
| C10 | C09 | C12 | H121 | 27.0° | 25.1° |
| C10 | C09 | C12 | H122 | 93.7° | 97.0° |
| C10 | C09 | C15 | H151 | 124.8° | 97.1° |
| C10 | C09 | C08 | H082 | 73.6° | 175.9° |
| C10 | C09 | C08 | H081 | 167.6° | 64.1° |
| C09 | C10 | C11 | H112 | 75.1° | 62.0° |
| C09 | C10 | C11 | H111 | 166.5° | 178.0° |
| O37 | C02 | C01 | C03 | 117.9° | 120.1° |
| O37 | C02 | C01 | H021 | 121.5° | 120.0° |
| O37 | C02 | C03 | H021 | 120.5° | 120.0° |
| O37 | C02 | C03 | C05 | 118.4° | 134.7° |
| O37 | C02 | C03 | N04 | 61.0° | 45.3° |
| O37 | C02 | C01 | H012 | 180.0° | 55.2° |
| O37 | C02 | C01 | H013 | 60.0° | 175.2° |
| O37 | C02 | C01 | H011 | 60.0° | 64.8° |
| C08 | C09 | C15 | N16 | 128.8° | 148.4° |
| C08 | C09 | C10 | H101 | 163.3° | 175.9° |
| C08 | C09 | C10 | H102 | 79.1° | 64.1° |
| C08 | C09 | C12 | H121 | 143.5° | 148.5° |
| C08 | C09 | C12 | H122 | 22.8° | 26.3° |
| C08 | C09 | C15 | H151 | 8.2° | 26.2° |
| C09 | C08 | C07 | H072 | 178.0° | 177.9° |
| C09 | C08 | C07 | H071 | 63.1° | 62.0° |
| C09 | C08 | H082 | H081 | 118.2° | 120.1° |
| C09 | C15 | N16 | H151 | 120.0° | 122.3° |
| C15 | C09 | C10 | H101 | 69.0° | 52.8° |
| C15 | C09 | C10 | H102 | 48.7° | 172.8° |
| C15 | C09 | C12 | H121 | 113.3° | 93.2° |
| C15 | C09 | C12 | H122 | 126.0° | 144.6° |
| C15 | C09 | C08 | H082 | 74.0° | 52.8° |
| C15 | C09 | C08 | H081 | 44.9° | 172.8° |
| C09 | C15 | N16 | H163 | 60.9° | 177.1° |
| C09 | C15 | N16 | H161 | 179.1° | 53.1° |
| C01 | C02 | C03 | H021 | 120.6° | 119.9° |
| C01 | C02 | C03 | C05 | 122.7° | 105.2° |
| C01 | C02 | C03 | N04 | 57.9° | 74.8° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.1° |
| C01 | C02 | O37 | H371 | 180.0° | 60.0° |
| C02 | C03 | C05 | N04 | 179.3° | 180.0° |
| C02 | C03 | C05 | N21 | 179.9° | 180.0° |
| C02 | C03 | N04 | C23 | 179.8° | 180.0° |
| C03 | C02 | C01 | H012 | 62.1° | 64.8° |
| C03 | C02 | C01 | H013 | 177.9° | 55.1° |
| C03 | C02 | C01 | H011 | 57.9° | 175.2° |
| C03 | C02 | O37 | H371 | 59.7° | 180.0° |
| C15 | N16 | H163 | H161 | 120.0° | 124.0° |
| C03 | C05 | N21 | C22 | 0.6° | 0.1° |
| C05 | C03 | N04 | C23 | 0.5° | 0.0° |
| C05 | C03 | C02 | H021 | 2.2° | 14.7° |
| N21 | C05 | C03 | N04 | 0.6° | 0.0° |
| C05 | N21 | C22 | C23 | 0.5° | 0.0° |
| C05 | N21 | C22 | N36 | 180.0° | 179.9° |
| C03 | N04 | C23 | C22 | 0.4° | 0.0° |
| C03 | N04 | C23 | C24 | 179.4° | 180.0° |
| N04 | C03 | C02 | H021 | 178.5° | 165.3° |
| N21 | C22 | C23 | N04 | 0.4° | 0.0° |
| N21 | C22 | C23 | N36 | 179.6° | 180.0° |
| N21 | C22 | C23 | C24 | 179.6° | 180.0° |
| N21 | C22 | N36 | N35 | 179.7° | 180.0° |
| N21 | C22 | N36 | H361 | 0.3° | 0.1° |
| N04 | C23 | C22 | C24 | 179.2° | 180.0° |
| N04 | C23 | C22 | N36 | 180.0° | 180.0° |
| N04 | C23 | C24 | N35 | 179.8° | 180.0° |
| N04 | C23 | C24 | N25 | 1.8° | 0.0° |
| C31 | C32 | C33 | H321 | 180.0° | 179.7° |
| C32 | C31 | C30 | H311 | 180.0° | 179.9° |
| C31 | C32 | C33 | N34 | 0.3° | 0.2° |
| C32 | C31 | C30 | N25 | 179.7° | 179.8° |
| C32 | C31 | C30 | C29 | 0.2° | 0.1° |
| C31 | C32 | C33 | H331 | 179.7° | 179.9° |
| C33 | C32 | C31 | C30 | 0.4° | 0.3° |
| C32 | C33 | N34 | H331 | 180.0° | 179.7° |
| C32 | C33 | N34 | C29 | 0.1° | 0.0° |
| C33 | C32 | C31 | H311 | 179.5° | 179.8° |
| C23 | C22 | N36 | N35 | 0.2° | 0.0° |
| C22 | C23 | C24 | N35 | 1.1° | 0.0° |
| C22 | C23 | C24 | N25 | 179.1° | 180.0° |
| C23 | C22 | N36 | H361 | 179.8° | 180.0° |
| N36 | C22 | C23 | C24 | 0.8° | 0.0° |
| C22 | N36 | N35 | H361 | 180.0° | 180.0° |
| C22 | N36 | N35 | C24 | 0.5° | 0.0° |
| C23 | C24 | N35 | N36 | 1.0° | 0.0° |
| C23 | C24 | N35 | N25 | 178.1° | 180.0° |
| C23 | C24 | N25 | C30 | 34.0° | 173.8° |
| C23 | C24 | N25 | C26 | 131.7° | 6.2° |
| C31 | C30 | N25 | C24 | 18.4° | 13.2° |
| C31 | C30 | N25 | C29 | 179.9° | 180.0° |
| C31 | C30 | C29 | N34 | 0.2° | 0.1° |
| C31 | C30 | N25 | C26 | 176.5° | 166.8° |
| C31 | C30 | C29 | C28 | 179.6° | 179.7° |
| C30 | C31 | C32 | H321 | 179.6° | 180.0° |
| C33 | N34 | C29 | C30 | 0.3° | 0.2° |
| C33 | N34 | C29 | C28 | 179.8° | 179.8° |
| N34 | C33 | C32 | H321 | 179.7° | 179.9° |
| N36 | N35 | C24 | N25 | 179.1° | 180.0° |
| N35 | C24 | N25 | C30 | 148.3° | 6.1° |
| N35 | C24 | N25 | C26 | 46.0° | 173.9° |
| C24 | N35 | N36 | H361 | 179.5° | 180.0° |
| C24 | N25 | C30 | C26 | 165.0° | 180.0° |
| C24 | N25 | C30 | C29 | 161.5° | 166.8° |
| C24 | N25 | C26 | C27 | 176.7° | 135.6° |
| C24 | N25 | C26 | H261 | 55.6° | 104.9° |
| C24 | N25 | C26 | H262 | 62.2° | 15.9° |
| N25 | C30 | C29 | N34 | 179.9° | 180.0° |
| N25 | C30 | C29 | C28 | 0.5° | 0.3° |
| C30 | N25 | C26 | C27 | 17.4° | 44.4° |
| C30 | N25 | C26 | H261 | 138.5° | 75.1° |
| C30 | N25 | C26 | H262 | 103.7° | 164.0° |
| N25 | C30 | C31 | H311 | 0.3° | 0.1° |
| C30 | C29 | N34 | C28 | 179.5° | 179.6° |
| C29 | C30 | N25 | C26 | 3.5° | 13.2° |
| C30 | C29 | C28 | C27 | 22.4° | 20.7° |
| C30 | C29 | C28 | H282 | 98.1° | 99.7° |
| C30 | C29 | C28 | H281 | 142.8° | 141.0° |
| C29 | C30 | C31 | H311 | 179.8° | 179.9° |
| N34 | C29 | C28 | C27 | 157.1° | 159.6° |
| C29 | N34 | C33 | H331 | 179.9° | 179.7° |
| N34 | C29 | C28 | H282 | 82.4° | 80.0° |
| N34 | C29 | C28 | H281 | 36.7° | 39.4° |
| N25 | C26 | C27 | H261 | 121.1° | 119.5° |
| N25 | C26 | C27 | H262 | 121.1° | 119.7° |
| N25 | C26 | C27 | C28 | 40.9° | 63.2° |
| N25 | C26 | H261 | H262 | 116.5° | 120.9° |
| N25 | C26 | C27 | H272 | 79.9° | 56.6° |
| N25 | C26 | C27 | H271 | 161.6° | 176.9° |
| C29 | C28 | C27 | C26 | 42.0° | 51.5° |
| C29 | C28 | C27 | H282 | 120.5° | 120.4° |
| C29 | C28 | C27 | H281 | 120.4° | 120.2° |
| C29 | C28 | C27 | H272 | 78.8° | 68.2° |
| C29 | C28 | C27 | H271 | 162.7° | 171.4° |
| C29 | C28 | H282 | H281 | 118.6° | 119.4° |
| C26 | C27 | C28 | H272 | 120.8° | 119.8° |
| C26 | C27 | C28 | H271 | 120.8° | 119.9° |
| C27 | C26 | H261 | H262 | 116.5° | 120.9° |
| C26 | C27 | H272 | H271 | 117.6° | 120.2° |
| C26 | C27 | C28 | H282 | 78.5° | 68.8° |
| C26 | C27 | C28 | H281 | 162.4° | 171.8° |
| C28 | C27 | C26 | H261 | 161.9° | 56.3° |
| C28 | C27 | C26 | H262 | 80.2° | 177.1° |
| C28 | C27 | H272 | H271 | 117.6° | 120.4° |
| C27 | C28 | H282 | H281 | 118.6° | 119.5° |
| H101 | C10 | C11 | H112 | 46.1° | 58.1° |
| H101 | C10 | C11 | H111 | 72.4° | 62.0° |
| H102 | C10 | C11 | H112 | 163.8° | 178.0° |
| H102 | C10 | C11 | H111 | 45.3° | 58.0° |
| H151 | C15 | N16 | H163 | 59.2° | 60.6° |
| H151 | C15 | N16 | H161 | 60.9° | 175.3° |
| H181 | C18 | C19 | H191 | 0.1° | 0.0° |
| H181 | C18 | C17 | H171 | 0.3° | 0.0° |
| H191 | C19 | C20 | H201 | 0.3° | 0.1° |
| H321 | C32 | C33 | H331 | 0.3° | 0.4° |
| H321 | C32 | C31 | H311 | 0.4° | 0.1° |
| H012 | C01 | H013 | H011 | 120.0° | 119.9° |
| H012 | C01 | C02 | H021 | 58.5° | 175.2° |
| H013 | C01 | C02 | H021 | 61.5° | 64.8° |
| H011 | C01 | C02 | H021 | 178.4° | 55.2° |
| H021 | C02 | O37 | H371 | 59.6° | 60.0° |
| H072 | C07 | C08 | H082 | 57.4° | 62.1° |
| H072 | C07 | C08 | H081 | 61.5° | 57.9° |
| H071 | C07 | C08 | H082 | 176.3° | 58.0° |
| H071 | C07 | C08 | H081 | 57.4° | 178.0° |
| H261 | C26 | C27 | H272 | 41.2° | 176.1° |
| H261 | C26 | C27 | H271 | 77.3° | 63.7° |
| H262 | C26 | C27 | H272 | 159.0° | 63.0° |
| H262 | C26 | C27 | H271 | 40.6° | 57.2° |
| H272 | C27 | C28 | H282 | 160.7° | 171.4° |
| H272 | C27 | C28 | H281 | 41.6° | 52.0° |
| H271 | C27 | C28 | H282 | 42.3° | 51.0° |
| H271 | C27 | C28 | H281 | 76.8° | 68.4° |
