CKE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C28 | C30 | sing | 1.53Å | 1.54Å | |
| C28 | C26 | sing | 1.53Å | 1.55Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C29 | C27 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | sing | 1.53Å | 1.56Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C23 | N22 | sing | 1.47Å | 1.48Å | |
| C31 | N22 | sing | 1.47Å | 1.48Å | |
| C25 | C27 | sing | 1.53Å | 1.56Å | |
| C25 | N08 | sing | 1.47Å | 1.49Å | |
| C14 | C15 | doub | 1.38Å | 1.43Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.43Å | Aromatic |
| C24 | N19 | sing | 1.47Å | 1.51Å | |
| C15 | C16 | sing | 1.39Å | 1.45Å | Aromatic |
| N22 | C21 | sing | 1.47Å | 1.49Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | C11 | sing | 1.51Å | 1.52Å | |
| C13 | C18 | doub | 1.38Å | 1.43Å | Aromatic |
| N08 | C11 | sing | 1.37Å | 1.41Å | Aromatic |
| N08 | C04 | sing | 1.37Å | 1.40Å | Aromatic |
| C16 | N19 | sing | 1.40Å | 1.48Å | |
| C16 | C17 | doub | 1.39Å | 1.44Å | Aromatic |
| N19 | C20 | sing | 1.47Å | 1.49Å | |
| C21 | C20 | sing | 1.53Å | 1.55Å | |
| C11 | C07 | doub | 1.34Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.43Å | Aromatic |
| C04 | N05 | doub | 1.33Å | 1.36Å | Aromatic |
| C04 | C03 | sing | 1.41Å | 1.34Å | Aromatic |
| N05 | C06 | sing | 1.32Å | 1.35Å | Aromatic |
| C07 | C03 | sing | 1.46Å | 1.45Å | Aromatic |
| C03 | C02 | doub | 1.39Å | 1.37Å | Aromatic |
| C06 | C09 | sing | 1.51Å | 1.47Å | |
| C06 | N01 | doub | 1.32Å | 1.37Å | Aromatic |
| C09 | N10 | sing | 1.47Å | 1.28Å | |
| C02 | N01 | sing | 1.32Å | 1.39Å | Aromatic |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C02 | H02 | sing | 1.08Å | 1.08Å | |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| N10 | H101 | sing | 1.01Å | 1.00Å | |
| N10 | H102 | sing | 1.01Å | 1.00Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C28 | C26 | 111.3° | 109.5° |
| C28 | C30 | C29 | 111.3° | 109.5° |
| C28 | C30 | H301 | 108.9° | 109.4° |
| C28 | C30 | H302 | 108.4° | 109.5° |
| C30 | C28 | H281 | 108.9° | 109.5° |
| C30 | C28 | H282 | 108.5° | 109.5° |
| C28 | C26 | C25 | 111.4° | 109.4° |
| C28 | C26 | H261 | 108.8° | 109.5° |
| C28 | C26 | H262 | 108.4° | 109.4° |
| C26 | C28 | H281 | 108.9° | 109.4° |
| C26 | C28 | H282 | 108.5° | 109.5° |
| C30 | C29 | C27 | 111.1° | 109.5° |
| C29 | C30 | H301 | 108.9° | 109.5° |
| C29 | C30 | H302 | 108.5° | 109.5° |
| C30 | C29 | H291 | 108.9° | 109.4° |
| C30 | C29 | H292 | 108.6° | 109.5° |
| C29 | C27 | C25 | 110.0° | 109.4° |
| C29 | C27 | H271 | 109.3° | 109.5° |
| C29 | C27 | H272 | 109.2° | 109.4° |
| C27 | C29 | H291 | 108.9° | 109.5° |
| C27 | C29 | H292 | 108.6° | 109.4° |
| C26 | C25 | C27 | 110.1° | 109.5° |
| C26 | C25 | N08 | 109.4° | 109.5° |
| C26 | C25 | H25 | 110.2° | 109.5° |
| C25 | C26 | H261 | 108.8° | 109.5° |
| C25 | C26 | H262 | 108.4° | 109.5° |
| C24 | C23 | N22 | 110.4° | 109.3° |
| C23 | C24 | N19 | 114.5° | 109.4° |
| C23 | C24 | H241 | 107.8° | 109.5° |
| C23 | C24 | H242 | 106.7° | 109.5° |
| C24 | C23 | H231 | 109.2° | 109.5° |
| C24 | C23 | H232 | 109.0° | 109.4° |
| C23 | N22 | C31 | 109.9° | 111.0° |
| C23 | N22 | C21 | 109.4° | 110.9° |
| N22 | C23 | H231 | 109.2° | 109.5° |
| N22 | C23 | H232 | 109.0° | 109.5° |
| C31 | N22 | C21 | 110.0° | 111.0° |
| N22 | C31 | H311 | 109.5° | 109.5° |
| N22 | C31 | H312 | 109.5° | 109.5° |
| N22 | C31 | H313 | 109.5° | 109.5° |
| C27 | C25 | N08 | 112.8° | 109.4° |
| C25 | C27 | H271 | 109.3° | 109.5° |
| C25 | C27 | H272 | 109.2° | 109.5° |
| C27 | C25 | H25 | 106.8° | 109.5° |
| C25 | N08 | C11 | 124.8° | 125.0° |
| C25 | N08 | C04 | 127.6° | 125.0° |
| N08 | C25 | H25 | 107.4° | 109.4° |
| C15 | C14 | C13 | 120.6° | 120.1° |
| C14 | C15 | C16 | 121.7° | 119.9° |
| C15 | C14 | H14 | 119.7° | 119.9° |
| C14 | C15 | H15 | 119.1° | 120.0° |
| C14 | C13 | C12 | 121.1° | 119.9° |
| C14 | C13 | C18 | 118.4° | 120.2° |
| C13 | C14 | H14 | 119.7° | 120.0° |
| C24 | N19 | C16 | 112.5° | 111.0° |
| C24 | N19 | C20 | 109.5° | 110.9° |
| N19 | C24 | H241 | 107.8° | 109.5° |
| N19 | C24 | H242 | 106.7° | 109.5° |
| C15 | C16 | N19 | 120.7° | 120.1° |
| C15 | C16 | C17 | 116.6° | 119.8° |
| C16 | C15 | H15 | 119.2° | 120.0° |
| N22 | C21 | C20 | 110.9° | 109.4° |
| N22 | C21 | H211 | 109.0° | 109.5° |
| N22 | C21 | H212 | 108.7° | 109.5° |
| C13 | C12 | C11 | 110.2° | 109.5° |
| C12 | C13 | C18 | 120.4° | 119.9° |
| C13 | C12 | H121 | 109.2° | 109.5° |
| C13 | C12 | H122 | 109.0° | 109.4° |
| C12 | C11 | N08 | 127.1° | 125.1° |
| C12 | C11 | C07 | 124.0° | 125.0° |
| C11 | C12 | H121 | 109.2° | 109.5° |
| C11 | C12 | H122 | 109.0° | 109.5° |
| C13 | C18 | C17 | 121.2° | 120.0° |
| C13 | C18 | H18 | 119.4° | 120.0° |
| C11 | N08 | C04 | 107.6° | 110.1° |
| N08 | C11 | C07 | 108.9° | 109.9° |
| N08 | C04 | N05 | 127.9° | 134.4° |
| N08 | C04 | C03 | 108.6° | 107.1° |
| N19 | C16 | C17 | 122.7° | 120.1° |
| C16 | N19 | C20 | 118.3° | 110.9° |
| C16 | C17 | C18 | 121.5° | 119.9° |
| C16 | C17 | H17 | 119.3° | 120.0° |
| N19 | C20 | C21 | 114.8° | 109.3° |
| N19 | C20 | H201 | 107.7° | 109.5° |
| N19 | C20 | H202 | 106.5° | 109.5° |
| C21 | C20 | H201 | 107.7° | 109.5° |
| C21 | C20 | H202 | 106.5° | 109.5° |
| C20 | C21 | H211 | 109.0° | 109.5° |
| C20 | C21 | H212 | 108.7° | 109.5° |
| C11 | C07 | C03 | 104.7° | 106.8° |
| C11 | C07 | H07 | 127.7° | 126.6° |
| C18 | C17 | H17 | 119.3° | 120.1° |
| C17 | C18 | H18 | 119.4° | 119.9° |
| N05 | C04 | C03 | 123.6° | 118.5° |
| C04 | N05 | C06 | 118.4° | 120.5° |
| C04 | C03 | C07 | 110.2° | 106.1° |
| C04 | C03 | C02 | 118.0° | 118.7° |
| N05 | C06 | C09 | 119.0° | 118.7° |
| N05 | C06 | N01 | 121.1° | 122.7° |
| C07 | C03 | C02 | 131.8° | 135.2° |
| C03 | C07 | H07 | 127.6° | 126.6° |
| C03 | C02 | N01 | 120.2° | 118.4° |
| C03 | C02 | H02 | 119.9° | 120.8° |
| C09 | C06 | N01 | 119.9° | 118.6° |
| C06 | C09 | N10 | 120.4° | 109.5° |
| C06 | C09 | H091 | 106.0° | 109.5° |
| C06 | C09 | H092 | 103.4° | 109.5° |
| C06 | N01 | C02 | 118.7° | 121.1° |
| C09 | N10 | H101 | 109.5° | 111.0° |
| C09 | N10 | H102 | 109.5° | 111.0° |
| N10 | C09 | H091 | 106.0° | 109.5° |
| N10 | C09 | H092 | 103.4° | 109.5° |
| N01 | C02 | H02 | 119.9° | 120.8° |
| H121 | C12 | H122 | 110.1° | 109.5° |
| H201 | C20 | H202 | 113.7° | 109.5° |
| H211 | C21 | H212 | 110.5° | 109.5° |
| H241 | C24 | H242 | 113.5° | 109.5° |
| H271 | C27 | H272 | 109.8° | 109.5° |
| H301 | C30 | H302 | 110.9° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.4° |
| H311 | C31 | H313 | 109.4° | 109.5° |
| H312 | C31 | H313 | 109.5° | 109.5° |
| H101 | N10 | H102 | 109.5° | 110.9° |
| H231 | C23 | H232 | 110.2° | 109.5° |
| H261 | C26 | H262 | 111.0° | 109.5° |
| H281 | C28 | H282 | 110.9° | 109.5° |
| H291 | C29 | H292 | 110.7° | 109.5° |
| H091 | C09 | H092 | 118.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C28 | C26 | H281 | 120.0° | 120.0° |
| C30 | C28 | C26 | H282 | 119.2° | 120.0° |
| C28 | C30 | C29 | H301 | 120.0° | 120.0° |
| C28 | C30 | C29 | H302 | 119.2° | 120.0° |
| C28 | C30 | C29 | C27 | 56.8° | 60.0° |
| C30 | C28 | C26 | C25 | 54.8° | 60.0° |
| C28 | C30 | H301 | H302 | 119.2° | 120.0° |
| C30 | C28 | C26 | H261 | 174.8° | 60.0° |
| C30 | C28 | C26 | H262 | 64.4° | 180.0° |
| C30 | C28 | H281 | H282 | 119.3° | 120.1° |
| C28 | C30 | C29 | H291 | 176.8° | 60.0° |
| C28 | C30 | C29 | H292 | 62.5° | 180.0° |
| C26 | C28 | C30 | C29 | 54.7° | 60.0° |
| C28 | C26 | C25 | H261 | 120.0° | 120.0° |
| C28 | C26 | C25 | H262 | 119.2° | 119.9° |
| C28 | C26 | C25 | C27 | 56.3° | 60.1° |
| C28 | C26 | C25 | N08 | 179.2° | 180.0° |
| C26 | C28 | C30 | H301 | 65.4° | 60.0° |
| C26 | C28 | C30 | H302 | 173.9° | 180.0° |
| C28 | C26 | C25 | H25 | 61.3° | 60.0° |
| C28 | C26 | H261 | H262 | 119.2° | 120.0° |
| C26 | C28 | H281 | H282 | 119.2° | 120.0° |
| C30 | C29 | C27 | H291 | 120.0° | 120.0° |
| C30 | C29 | C27 | H292 | 119.3° | 120.0° |
| C30 | C29 | C27 | C25 | 58.2° | 60.0° |
| C30 | C29 | C27 | H271 | 61.8° | 180.0° |
| C30 | C29 | C27 | H272 | 178.0° | 60.0° |
| C29 | C30 | H301 | H302 | 119.3° | 120.0° |
| C29 | C30 | C28 | H281 | 65.3° | 60.0° |
| C29 | C30 | C28 | H282 | 173.9° | 180.0° |
| C30 | C29 | H291 | H292 | 119.3° | 120.0° |
| C29 | C27 | C25 | C26 | 57.7° | 60.0° |
| C29 | C27 | C25 | H271 | 120.0° | 120.0° |
| C29 | C27 | C25 | H272 | 119.8° | 119.9° |
| C29 | C27 | C25 | N08 | 179.8° | 180.0° |
| C29 | C27 | H271 | H272 | 119.8° | 120.0° |
| C27 | C29 | C30 | H301 | 63.2° | 60.0° |
| C27 | C29 | C30 | H302 | 176.0° | 180.0° |
| C29 | C27 | C25 | H25 | 62.0° | 60.1° |
| C27 | C29 | H291 | H292 | 119.4° | 120.0° |
| C26 | C25 | C27 | N08 | 122.6° | 120.0° |
| C26 | C25 | C27 | H25 | 119.7° | 120.1° |
| C26 | C25 | N08 | H25 | 119.7° | 120.1° |
| C26 | C25 | N08 | C11 | 96.6° | 120.0° |
| C26 | C25 | N08 | C04 | 83.5° | 60.0° |
| C26 | C25 | C27 | H271 | 62.4° | 180.0° |
| C26 | C25 | C27 | H272 | 177.5° | 59.9° |
| C25 | C26 | H261 | H262 | 119.2° | 120.0° |
| C25 | C26 | C28 | H281 | 65.2° | 59.9° |
| C25 | C26 | C28 | H282 | 174.0° | 179.9° |
| C24 | C23 | N22 | H231 | 120.0° | 119.9° |
| C24 | C23 | N22 | H232 | 119.7° | 119.9° |
| C24 | C23 | N22 | C31 | 179.8° | 64.6° |
| C23 | C24 | N19 | H241 | 120.0° | 120.0° |
| C23 | C24 | N19 | H242 | 117.8° | 120.0° |
| C24 | C23 | N22 | C21 | 59.4° | 59.3° |
| C23 | C24 | N19 | C16 | 85.5° | 176.9° |
| C23 | C24 | N19 | C20 | 48.3° | 59.3° |
| C23 | C24 | H241 | H242 | 117.9° | 120.0° |
| C24 | C23 | H231 | H232 | 119.7° | 120.0° |
| C23 | N22 | C31 | C21 | 120.5° | 123.8° |
| N22 | C23 | C24 | N19 | 55.7° | 58.4° |
| C23 | N22 | C21 | C20 | 58.9° | 59.3° |
| C23 | N22 | C21 | H211 | 178.9° | 179.3° |
| C23 | N22 | C21 | H212 | 60.5° | 60.6° |
| N22 | C23 | C24 | H241 | 175.6° | 178.4° |
| N22 | C23 | C24 | H242 | 62.1° | 61.6° |
| C23 | N22 | C31 | H311 | 39.1° | 176.2° |
| C23 | N22 | C31 | H312 | 80.9° | 56.2° |
| C23 | N22 | C31 | H313 | 159.1° | 63.8° |
| N22 | C23 | H231 | H232 | 119.6° | 120.1° |
| C31 | N22 | C21 | C20 | 179.7° | 64.5° |
| C31 | N22 | C21 | H211 | 60.3° | 55.4° |
| C31 | N22 | C21 | H212 | 60.3° | 175.5° |
| N22 | C31 | H311 | H312 | 120.0° | 120.0° |
| N22 | C31 | H311 | H313 | 120.0° | 120.0° |
| N22 | C31 | H312 | H313 | 120.0° | 120.0° |
| C31 | N22 | C23 | H231 | 59.7° | 175.5° |
| C31 | N22 | C23 | H232 | 60.6° | 55.4° |
| C27 | C25 | N08 | H25 | 117.4° | 120.0° |
| C27 | C25 | N08 | C11 | 140.5° | 120.0° |
| C27 | C25 | N08 | C04 | 39.4° | 60.0° |
| C25 | C27 | H271 | H272 | 119.8° | 120.1° |
| C27 | C25 | C26 | H261 | 176.2° | 60.0° |
| C27 | C25 | C26 | H262 | 62.9° | 180.0° |
| C25 | C27 | C29 | H291 | 178.2° | 60.0° |
| C25 | C27 | C29 | H292 | 61.1° | 180.0° |
| C25 | N08 | C11 | C12 | 0.8° | 0.3° |
| C25 | N08 | C11 | C04 | 180.0° | 180.0° |
| C25 | N08 | C11 | C07 | 179.6° | 180.0° |
| C25 | N08 | C04 | N05 | 0.4° | 0.3° |
| C25 | N08 | C04 | C03 | 179.6° | 179.7° |
| N08 | C25 | C27 | H271 | 60.2° | 60.0° |
| N08 | C25 | C27 | H272 | 60.0° | 60.1° |
| N08 | C25 | C26 | H261 | 59.2° | 60.0° |
| N08 | C25 | C26 | H262 | 61.6° | 60.0° |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 179.5° | 180.0° |
| C15 | C14 | C13 | C18 | 0.0° | 0.3° |
| C14 | C15 | C16 | N19 | 179.5° | 180.0° |
| C14 | C15 | C16 | C17 | 0.1° | 0.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.0° |
| C14 | C13 | C12 | C18 | 179.4° | 179.7° |
| C14 | C13 | C12 | C11 | 102.2° | 89.7° |
| C14 | C13 | C18 | C17 | 0.1° | 0.6° |
| C14 | C13 | C12 | H121 | 137.8° | 150.3° |
| C14 | C13 | C12 | H122 | 17.5° | 30.3° |
| C13 | C14 | C15 | H15 | 179.9° | 180.0° |
| C14 | C13 | C18 | H18 | 179.9° | 179.7° |
| C24 | N19 | C16 | C15 | 20.7° | 180.0° |
| C24 | N19 | C16 | C20 | 129.4° | 123.8° |
| C24 | N19 | C16 | C17 | 159.9° | 0.0° |
| C24 | N19 | C20 | C21 | 47.7° | 59.3° |
| C24 | N19 | C20 | H201 | 167.7° | 179.3° |
| C24 | N19 | C20 | H202 | 69.9° | 60.6° |
| N19 | C24 | H241 | H242 | 117.9° | 120.1° |
| N19 | C24 | C23 | H231 | 175.7° | 61.6° |
| N19 | C24 | C23 | H232 | 64.0° | 178.4° |
| C15 | C16 | N19 | C17 | 179.4° | 179.9° |
| C15 | C16 | N19 | C20 | 150.1° | 56.2° |
| C15 | C16 | C17 | C18 | 0.0° | 0.2° |
| C16 | C15 | C14 | H14 | 179.9° | 180.0° |
| C15 | C16 | C17 | H17 | 180.0° | 180.0° |
| N22 | C21 | C20 | N19 | 54.6° | 58.4° |
| N22 | C21 | C20 | H211 | 120.0° | 119.9° |
| N22 | C21 | C20 | H212 | 119.4° | 120.0° |
| N22 | C21 | C20 | H201 | 174.6° | 178.4° |
| N22 | C21 | C20 | H202 | 63.0° | 61.6° |
| N22 | C21 | H211 | H212 | 119.4° | 120.1° |
| C21 | N22 | C31 | H311 | 159.6° | 60.0° |
| C21 | N22 | C31 | H312 | 39.6° | 180.0° |
| C21 | N22 | C31 | H313 | 80.4° | 60.0° |
| C21 | N22 | C23 | H231 | 179.4° | 60.6° |
| C21 | N22 | C23 | H232 | 60.3° | 179.3° |
| C13 | C12 | C11 | H121 | 120.0° | 120.0° |
| C13 | C12 | C11 | H122 | 119.7° | 120.0° |
| C13 | C12 | C11 | N08 | 83.2° | 95.3° |
| C13 | C12 | C11 | C07 | 96.3° | 85.0° |
| C12 | C13 | C18 | C17 | 179.5° | 179.7° |
| C13 | C12 | H121 | H122 | 119.7° | 120.0° |
| C12 | C13 | C14 | H14 | 0.5° | 0.0° |
| C12 | C13 | C18 | H18 | 0.5° | 0.0° |
| C11 | C12 | C13 | C18 | 77.2° | 90.0° |
| C12 | C11 | N08 | C07 | 179.6° | 179.7° |
| C12 | C11 | N08 | C04 | 179.1° | 179.8° |
| C12 | C11 | C07 | C03 | 179.3° | 180.0° |
| C11 | C12 | H121 | H122 | 119.7° | 120.0° |
| C12 | C11 | C07 | H07 | 0.7° | 0.0° |
| C13 | C18 | C17 | C16 | 0.0° | 0.5° |
| C13 | C18 | C17 | H18 | 180.0° | 179.7° |
| C18 | C13 | C12 | H121 | 42.8° | 30.0° |
| C18 | C13 | C12 | H122 | 163.1° | 150.0° |
| C18 | C13 | C14 | H14 | 180.0° | 179.7° |
| C13 | C18 | C17 | H17 | 179.9° | 179.7° |
| C11 | N08 | C04 | N05 | 179.6° | 179.7° |
| C11 | N08 | C04 | C03 | 0.4° | 0.2° |
| N08 | C11 | C07 | C03 | 0.3° | 0.3° |
| N08 | C11 | C12 | H121 | 156.8° | 24.7° |
| N08 | C11 | C12 | H122 | 36.4° | 144.7° |
| N08 | C11 | C07 | H07 | 179.7° | 179.7° |
| C11 | N08 | C25 | H25 | 23.1° | 0.0° |
| C04 | N08 | C11 | C07 | 0.5° | 0.0° |
| N08 | C04 | N05 | C03 | 180.0° | 180.0° |
| N08 | C04 | N05 | C06 | 179.7° | 179.9° |
| N08 | C04 | C03 | C07 | 0.2° | 0.4° |
| N08 | C04 | C03 | C02 | 179.9° | 179.9° |
| C04 | N08 | C25 | H25 | 156.8° | 180.0° |
| C16 | N19 | C20 | C21 | 83.1° | 176.8° |
| N19 | C16 | C17 | C18 | 179.5° | 179.7° |
| N19 | C16 | C15 | H15 | 0.5° | 0.0° |
| C16 | N19 | C20 | H201 | 36.9° | 56.9° |
| C16 | N19 | C20 | H202 | 159.3° | 63.2° |
| C16 | N19 | C24 | H241 | 34.5° | 56.9° |
| C16 | N19 | C24 | H242 | 156.7° | 63.1° |
| N19 | C16 | C17 | H17 | 0.5° | 0.0° |
| C17 | C16 | N19 | C20 | 30.5° | 123.8° |
| C16 | C17 | C18 | H17 | 180.0° | 179.7° |
| C17 | C16 | C15 | H15 | 179.9° | 180.0° |
| C16 | C17 | C18 | H18 | 179.9° | 179.8° |
| N19 | C20 | C21 | H201 | 120.0° | 120.0° |
| N19 | C20 | C21 | H202 | 117.6° | 120.0° |
| N19 | C20 | H201 | H202 | 117.8° | 120.1° |
| N19 | C20 | C21 | H211 | 174.6° | 178.3° |
| N19 | C20 | C21 | H212 | 64.8° | 61.6° |
| C20 | N19 | C24 | H241 | 168.3° | 179.3° |
| C20 | N19 | C24 | H242 | 69.4° | 60.7° |
| C21 | C20 | H201 | H202 | 117.8° | 120.0° |
| C20 | C21 | H211 | H212 | 119.4° | 120.1° |
| C11 | C07 | C03 | C04 | 0.1° | 0.4° |
| C11 | C07 | C03 | H07 | 180.0° | 180.0° |
| C11 | C07 | C03 | C02 | 179.8° | 179.8° |
| C07 | C11 | C12 | H121 | 23.7° | 155.0° |
| C07 | C11 | C12 | H122 | 144.0° | 35.0° |
| N05 | C04 | C03 | C07 | 179.8° | 179.6° |
| N05 | C04 | C03 | C02 | 0.1° | 0.0° |
| C04 | N05 | C06 | C09 | 179.4° | 180.0° |
| C04 | N05 | C06 | N01 | 0.5° | 0.0° |
| C03 | C04 | N05 | C06 | 0.3° | 0.0° |
| C04 | C03 | C07 | C02 | 179.8° | 179.4° |
| C04 | C03 | C02 | N01 | 0.2° | 0.0° |
| C04 | C03 | C02 | H02 | 179.8° | 180.0° |
| C04 | C03 | C07 | H07 | 179.9° | 179.6° |
| N05 | C06 | C09 | N01 | 179.9° | 180.0° |
| N05 | C06 | C09 | N10 | 179.7° | 90.0° |
| N05 | C06 | N01 | C02 | 0.4° | 0.0° |
| N05 | C06 | C09 | H091 | 60.3° | 150.0° |
| N05 | C06 | C09 | H092 | 65.1° | 30.0° |
| C07 | C03 | C02 | N01 | 179.6° | 179.4° |
| C07 | C03 | C02 | H02 | 0.4° | 0.6° |
| C03 | C02 | N01 | C06 | 0.0° | 0.0° |
| C03 | C02 | N01 | H02 | 180.0° | 180.0° |
| C02 | C03 | C07 | H07 | 0.2° | 0.2° |
| C06 | C09 | N10 | H091 | 120.0° | 120.0° |
| C06 | C09 | N10 | H092 | 114.6° | 120.0° |
| C09 | C06 | N01 | C02 | 179.5° | 180.0° |
| C06 | C09 | N10 | H101 | 119.5° | 180.0° |
| C06 | C09 | N10 | H102 | 120.5° | 56.1° |
| C06 | C09 | H091 | H092 | 115.5° | 120.0° |
| N01 | C06 | C09 | N10 | 0.2° | 90.0° |
| C06 | N01 | C02 | H02 | 180.0° | 180.0° |
| N01 | C06 | C09 | H091 | 119.8° | 30.0° |
| N01 | C06 | C09 | H092 | 114.8° | 150.0° |
| C09 | N10 | H101 | H102 | 120.0° | 123.9° |
| N10 | C09 | H091 | H092 | 115.4° | 120.0° |
| H14 | C14 | C15 | H15 | 0.1° | 0.0° |
| H201 | C20 | C21 | H211 | 65.4° | 61.7° |
| H201 | C20 | C21 | H212 | 55.2° | 58.4° |
| H202 | C20 | C21 | H211 | 57.0° | 58.3° |
| H202 | C20 | C21 | H212 | 177.6° | 178.4° |
| H241 | C24 | C23 | H231 | 64.4° | 58.4° |
| H241 | C24 | C23 | H232 | 56.0° | 61.7° |
| H242 | C24 | C23 | H231 | 57.9° | 178.4° |
| H242 | C24 | C23 | H232 | 178.2° | 58.4° |
| H271 | C27 | C25 | H25 | 178.0° | 59.9° |
| H271 | C27 | C29 | H291 | 58.2° | 60.0° |
| H271 | C27 | C29 | H292 | 178.9° | 60.0° |
| H272 | C27 | C25 | H25 | 57.8° | NaN° |
| H272 | C27 | C29 | H291 | 62.0° | 180.0° |
| H272 | C27 | C29 | H292 | 58.7° | 60.0° |
| H301 | C30 | C28 | H281 | 174.7° | 180.0° |
| H301 | C30 | C28 | H282 | 53.9° | 60.0° |
| H301 | C30 | C29 | H291 | 56.8° | 180.0° |
| H301 | C30 | C29 | H292 | 177.5° | 60.0° |
| H302 | C30 | C28 | H281 | 53.9° | 60.1° |
| H302 | C30 | C28 | H282 | 66.8° | 60.0° |
| H302 | C30 | C29 | H291 | 64.0° | 60.0° |
| H302 | C30 | C29 | H292 | 56.7° | 60.0° |
| H311 | C31 | H312 | H313 | 120.0° | 120.0° |
| H101 | N10 | C09 | H091 | 0.5° | 60.0° |
| H101 | N10 | C09 | H092 | 125.9° | 60.0° |
| H102 | N10 | C09 | H091 | 119.5° | 176.1° |
| H102 | N10 | C09 | H092 | 5.9° | 63.9° |
| H17 | C17 | C18 | H18 | 0.1° | 0.0° |
| H25 | C25 | C26 | H261 | 58.7° | 180.0° |
| H25 | C25 | C26 | H262 | 179.5° | 59.9° |
| H261 | C26 | C28 | H281 | 54.8° | 180.0° |
| H261 | C26 | C28 | H282 | 66.0° | 60.0° |
| H262 | C26 | C28 | H281 | 175.6° | 60.0° |
| H262 | C26 | C28 | H282 | 54.9° | 60.0° |
