A1ILI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.22Å | 1.18Å | |
| C04 | C03 | doub | 1.40Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| C07 | C06 | doub | 1.37Å | 1.38Å | Aromatic |
| N08 | C07 | sing | 1.35Å | 1.31Å | Aromatic |
| C09 | N08 | sing | 1.47Å | 1.48Å | |
| N10 | N08 | sing | 1.40Å | 1.37Å | Aromatic |
| C11 | N10 | doub | 1.31Å | 1.34Å | Aromatic |
| C06 | C05 | sing | 1.48Å | 1.55Å | |
| N12 | C05 | doub | 1.32Å | 1.34Å | Aromatic |
| C13 | N12 | sing | 1.32Å | 1.33Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.48Å | 1.55Å | |
| N15 | C02 | sing | 1.35Å | 1.47Å | |
| C16 | N15 | sing | 1.38Å | 1.51Å | |
| N17 | C16 | doub | 1.31Å | 1.34Å | Aromatic |
| C18 | N17 | sing | 1.36Å | 1.38Å | Aromatic |
| C19 | C18 | doub | 1.41Å | 1.35Å | Aromatic |
| C21 | N20 | sing | 1.46Å | 1.48Å | |
| C22 | C21 | sing | 1.55Å | 1.54Å | |
| N23 | C22 | sing | 1.45Å | 1.46Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C25 | C24 | sing | 1.51Å | 1.55Å | |
| O27 | C24 | doub | 1.21Å | 1.18Å | |
| C24 | N23 | sing | 1.35Å | 1.48Å | |
| C28 | N23 | sing | 1.48Å | 1.46Å | |
| C29 | C28 | sing | 1.54Å | 1.52Å | |
| C30 | C29 | sing | 1.51Å | 1.52Å | |
| C31 | C30 | sing | 1.53Å | 1.52Å | |
| N20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C19 | sing | 1.39Å | 1.43Å | Aromatic |
| C33 | C32 | doub | 1.36Å | 1.40Å | Aromatic |
| C34 | C33 | sing | 1.40Å | 1.40Å | Aromatic |
| C37 | N36 | sing | 1.47Å | 1.47Å | |
| C38 | C37 | sing | 1.47Å | 1.55Å | |
| C39 | C38 | trip | 1.17Å | 1.20Å | |
| N36 | C35 | sing | 1.35Å | 1.46Å | |
| O40 | C35 | doub | 1.22Å | 1.19Å | |
| C35 | C34 | sing | 1.48Å | 1.54Å | |
| C41 | C34 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | C14 | sing | 1.40Å | 1.41Å | Aromatic |
| C06 | C11 | sing | 1.41Å | 1.38Å | Aromatic |
| C16 | N20 | sing | 1.37Å | 1.35Å | Aromatic |
| C18 | C41 | sing | 1.39Å | 1.43Å | Aromatic |
| C21 | C31 | sing | 1.47Å | 1.53Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H093 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.05Å | 1.06Å | |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| N36 | H361 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | C03 | 120.8° | 120.0° |
| O01 | C02 | N15 | 122.1° | 120.0° |
| C03 | C04 | C05 | 119.5° | 118.9° |
| C04 | C03 | C02 | 120.1° | 120.9° |
| C04 | C03 | C14 | 118.3° | 118.3° |
| C03 | C04 | H041 | 120.3° | 120.5° |
| C04 | C05 | C06 | 118.7° | 119.6° |
| C04 | C05 | N12 | 120.5° | 120.7° |
| C05 | C04 | H041 | 120.2° | 120.6° |
| C06 | C07 | N08 | 107.6° | 107.7° |
| C07 | C06 | C05 | 125.8° | 126.3° |
| C07 | C06 | C11 | 107.2° | 107.5° |
| C06 | C07 | H071 | 126.2° | 126.2° |
| C07 | N08 | C09 | 124.9° | 125.9° |
| C07 | N08 | N10 | 110.2° | 108.3° |
| N08 | C07 | H071 | 126.2° | 126.2° |
| C09 | N08 | N10 | 124.9° | 125.8° |
| N08 | C09 | H091 | 109.5° | 109.4° |
| N08 | C09 | H092 | 109.5° | 109.5° |
| N08 | C09 | H093 | 109.4° | 109.4° |
| N08 | N10 | C11 | 107.4° | 108.5° |
| N10 | C11 | C06 | 107.6° | 108.1° |
| N10 | C11 | H111 | 126.2° | 126.0° |
| C06 | C05 | N12 | 120.8° | 119.7° |
| C05 | C06 | C11 | 126.9° | 126.3° |
| C05 | N12 | C13 | 121.8° | 122.0° |
| N12 | C13 | C14 | 120.7° | 121.0° |
| N12 | C13 | H131 | 119.7° | 119.5° |
| C13 | C14 | C03 | 119.3° | 119.2° |
| C14 | C13 | H131 | 119.6° | 119.5° |
| C13 | C14 | H141 | 120.4° | 120.4° |
| C03 | C02 | N15 | 117.0° | 120.0° |
| C02 | C03 | C14 | 121.5° | 120.8° |
| C02 | N15 | C16 | 122.3° | 120.0° |
| C02 | N15 | H151 | 118.8° | 120.0° |
| N15 | C16 | N17 | 125.0° | 125.0° |
| N15 | C16 | N20 | 126.2° | 125.1° |
| C16 | N15 | H151 | 118.8° | 120.0° |
| C16 | N17 | C18 | 107.8° | 109.5° |
| N17 | C16 | N20 | 108.8° | 109.9° |
| N17 | C18 | C19 | 108.8° | 107.1° |
| N17 | C18 | C41 | 130.4° | 133.3° |
| C18 | C19 | N20 | 106.2° | 106.2° |
| C18 | C19 | C32 | 119.5° | 120.1° |
| C19 | C18 | C41 | 120.8° | 119.6° |
| N20 | C21 | C22 | 105.5° | 109.3° |
| C21 | N20 | C19 | 125.9° | 126.4° |
| C21 | N20 | C16 | 125.7° | 126.3° |
| N20 | C21 | C31 | 113.1° | 109.3° |
| N20 | C21 | H211 | 109.5° | 109.3° |
| C21 | C22 | N23 | 111.1° | 109.6° |
| C22 | C21 | C31 | 111.2° | 110.3° |
| C22 | C21 | H211 | 108.6° | 109.2° |
| C21 | C22 | H222 | 109.1° | 109.5° |
| C21 | C22 | H221 | 109.1° | 109.5° |
| C22 | N23 | C24 | 116.9° | 118.6° |
| C22 | N23 | C28 | 121.1° | 122.7° |
| N23 | C22 | H222 | 109.1° | 109.4° |
| N23 | C22 | H221 | 109.1° | 109.4° |
| C26 | C25 | C24 | 108.8° | 109.5° |
| C25 | C26 | H261 | 109.5° | 109.4° |
| C25 | C26 | H263 | 109.5° | 109.5° |
| C25 | C26 | H262 | 109.5° | 109.5° |
| C26 | C25 | H252 | 109.6° | 109.5° |
| C26 | C25 | H251 | 109.7° | 109.5° |
| C25 | C24 | O27 | 120.2° | 120.0° |
| C25 | C24 | N23 | 121.1° | 120.0° |
| C24 | C25 | H252 | 109.6° | 109.5° |
| C24 | C25 | H251 | 109.6° | 109.5° |
| O27 | C24 | N23 | 118.6° | 120.0° |
| C24 | N23 | C28 | 122.1° | 118.6° |
| N23 | C28 | C29 | 111.4° | 112.1° |
| N23 | C28 | H282 | 109.0° | 109.0° |
| N23 | C28 | H281 | 109.0° | 109.0° |
| C28 | C29 | C30 | 113.5° | 110.1° |
| C29 | C28 | H282 | 109.0° | 108.9° |
| C29 | C28 | H281 | 109.0° | 108.8° |
| C28 | C29 | H292 | 108.5° | 109.3° |
| C28 | C29 | H291 | 108.5° | 109.3° |
| C29 | C30 | C31 | 114.8° | 109.3° |
| C30 | C29 | H292 | 108.5° | 109.4° |
| C30 | C29 | H291 | 108.5° | 109.3° |
| C29 | C30 | H302 | 108.1° | 109.5° |
| C29 | C30 | H301 | 108.1° | 109.5° |
| C30 | C31 | C21 | 113.4° | 114.3° |
| C31 | C30 | H302 | 108.1° | 109.5° |
| C31 | C30 | H301 | 108.1° | 109.5° |
| C30 | C31 | H312 | 108.5° | 108.6° |
| C30 | C31 | H311 | 108.5° | 108.5° |
| N20 | C19 | C32 | 134.3° | 133.7° |
| C19 | N20 | C16 | 108.5° | 107.3° |
| C19 | C32 | C33 | 119.9° | 120.2° |
| C19 | C32 | H321 | 120.0° | 119.9° |
| C32 | C33 | C34 | 120.1° | 120.4° |
| C33 | C32 | H321 | 120.1° | 119.9° |
| C32 | C33 | H331 | 119.9° | 119.8° |
| C33 | C34 | C35 | 122.6° | 119.9° |
| C33 | C34 | C41 | 119.5° | 120.1° |
| C34 | C33 | H331 | 119.9° | 119.8° |
| N36 | C37 | C38 | 106.5° | 109.5° |
| C37 | N36 | C35 | 126.7° | 120.0° |
| N36 | C37 | H371 | 110.2° | 109.5° |
| N36 | C37 | H372 | 110.2° | 109.4° |
| C37 | N36 | H361 | 116.6° | 119.9° |
| C37 | C38 | C39 | 178.5° | 180.0° |
| C38 | C37 | H371 | 110.2° | 109.5° |
| C38 | C37 | H372 | 110.2° | 109.5° |
| C38 | C39 | H391 | 180.0° | 179.9° |
| N36 | C35 | O40 | 117.0° | 120.0° |
| N36 | C35 | C34 | 125.7° | 120.0° |
| C35 | N36 | H361 | 116.7° | 120.0° |
| O40 | C35 | C34 | 117.2° | 120.0° |
| C35 | C34 | C41 | 117.9° | 119.9° |
| C34 | C41 | C18 | 120.1° | 119.5° |
| C34 | C41 | H411 | 119.9° | 120.2° |
| C03 | C14 | H141 | 120.4° | 120.4° |
| C06 | C11 | H111 | 126.2° | 126.0° |
| C18 | C41 | H411 | 119.9° | 120.3° |
| C31 | C21 | H211 | 108.8° | 109.3° |
| C21 | C31 | H312 | 108.5° | 108.5° |
| C21 | C31 | H311 | 108.5° | 108.5° |
| H222 | C22 | H221 | 109.5° | 109.4° |
| H261 | C26 | H263 | 109.4° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.4° |
| H263 | C26 | H262 | 109.5° | 109.4° |
| H282 | C28 | H281 | 109.5° | 109.0° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H091 | C09 | H093 | 109.5° | 109.5° |
| H092 | C09 | H093 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.4° |
| H292 | C29 | H291 | 109.4° | 109.4° |
| H302 | C30 | H301 | 109.5° | 109.5° |
| H312 | C31 | H311 | 109.5° | 108.3° |
| H371 | C37 | H372 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | C03 | C04 | 172.3° | 0.1° |
| O01 | C02 | C03 | N15 | 178.1° | 179.9° |
| O01 | C02 | N15 | C16 | 0.2° | 0.0° |
| O01 | C02 | C03 | C14 | 10.6° | 180.0° |
| O01 | C02 | N15 | H151 | 179.8° | 180.0° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 179.4° | 180.0° |
| C03 | C04 | C05 | N12 | 0.5° | 0.0° |
| C04 | C03 | C14 | C13 | 1.0° | 0.0° |
| C04 | C03 | C02 | C14 | 177.1° | 180.0° |
| C04 | C03 | C02 | N15 | 9.7° | 180.0° |
| C04 | C03 | C14 | H141 | 179.1° | 179.9° |
| C04 | C05 | C06 | C07 | 18.8° | 174.7° |
| C04 | C05 | C06 | N12 | 179.8° | 179.9° |
| C04 | C05 | N12 | C13 | 0.5° | 0.0° |
| C05 | C04 | C03 | C02 | 178.4° | 180.0° |
| C05 | C04 | C03 | C14 | 1.2° | 0.0° |
| C04 | C05 | C06 | C11 | 161.1° | 5.0° |
| C06 | C07 | N08 | H071 | 180.0° | 180.0° |
| C06 | C07 | N08 | C09 | 180.0° | 180.0° |
| C06 | C07 | N08 | N10 | 0.0° | 0.2° |
| C07 | C06 | C11 | N10 | 0.0° | 0.2° |
| C07 | C06 | C05 | C11 | 179.9° | 179.8° |
| C07 | C06 | C05 | N12 | 161.4° | 5.2° |
| C07 | C06 | C11 | H111 | 180.0° | 179.7° |
| C07 | N08 | C09 | N10 | 180.0° | 179.8° |
| C07 | N08 | N10 | C11 | 0.0° | 0.0° |
| N08 | C07 | C06 | C05 | 179.9° | 180.0° |
| N08 | C07 | C06 | C11 | 0.0° | 0.2° |
| C07 | N08 | C09 | H091 | 180.0° | 89.9° |
| C07 | N08 | C09 | H092 | 60.0° | 150.0° |
| C07 | N08 | C09 | H093 | 59.9° | 30.0° |
| C09 | N08 | N10 | C11 | 180.0° | 179.9° |
| C09 | N08 | C07 | H071 | 0.0° | 0.0° |
| N08 | C09 | H091 | H092 | 120.0° | 120.0° |
| N08 | C09 | H091 | H093 | 120.0° | 119.9° |
| N08 | C09 | H092 | H093 | 120.0° | 120.0° |
| N08 | N10 | C11 | C06 | 0.0° | 0.1° |
| N10 | N08 | C07 | H071 | 180.0° | 179.9° |
| N10 | N08 | C09 | H091 | 0.0° | 89.9° |
| N10 | N08 | C09 | H092 | 120.0° | 30.2° |
| N10 | N08 | C09 | H093 | 120.0° | 150.2° |
| N08 | N10 | C11 | H111 | 180.0° | 179.8° |
| N10 | C11 | C06 | C05 | 179.9° | 180.0° |
| N10 | C11 | C06 | H111 | 180.0° | 179.9° |
| C06 | C05 | N12 | C13 | 179.7° | 180.0° |
| C06 | C05 | C04 | H041 | 0.7° | 0.0° |
| C05 | C06 | C07 | H071 | 0.1° | 0.0° |
| C05 | C06 | C11 | H111 | 0.1° | 0.1° |
| C05 | N12 | C13 | C14 | 0.7° | 0.0° |
| N12 | C05 | C06 | C11 | 18.7° | 175.0° |
| C05 | N12 | C13 | H131 | 179.3° | 179.9° |
| N12 | C05 | C04 | H041 | 179.5° | 180.0° |
| N12 | C13 | C14 | H131 | 180.0° | 179.9° |
| N12 | C13 | C14 | C03 | 0.0° | 0.0° |
| N12 | C13 | C14 | H141 | 180.0° | 179.9° |
| C13 | C14 | C03 | C02 | 178.1° | 180.0° |
| C13 | C14 | C03 | H141 | 180.0° | 179.9° |
| C03 | C02 | N15 | C16 | 177.9° | 180.0° |
| C02 | C03 | C04 | H041 | 1.6° | 0.0° |
| C02 | C03 | C14 | H141 | 1.9° | 0.1° |
| C03 | C02 | N15 | H151 | 2.1° | 0.0° |
| C02 | N15 | C16 | H151 | 180.0° | 180.0° |
| C02 | N15 | C16 | N17 | 4.0° | 0.3° |
| N15 | C02 | C03 | C14 | 167.5° | 0.0° |
| C02 | N15 | C16 | N20 | 177.8° | 180.0° |
| N15 | C16 | N17 | N20 | 178.4° | 179.8° |
| N15 | C16 | N17 | C18 | 178.7° | 180.0° |
| N15 | C16 | N20 | C21 | 0.2° | 0.0° |
| N15 | C16 | N20 | C19 | 178.4° | 180.0° |
| C16 | N17 | C18 | C19 | 0.5° | 0.2° |
| N17 | C16 | N20 | C21 | 178.6° | 179.7° |
| N17 | C16 | N20 | C19 | 0.0° | 0.3° |
| C16 | N17 | C18 | C41 | 179.5° | 180.0° |
| N17 | C16 | N15 | H151 | 176.0° | 179.7° |
| N17 | C18 | C19 | C41 | 180.0° | 179.8° |
| N17 | C18 | C19 | N20 | 0.5° | 0.0° |
| N17 | C18 | C19 | C32 | 180.0° | 180.0° |
| N17 | C18 | C41 | C34 | 179.4° | 179.9° |
| C18 | N17 | C16 | N20 | 0.3° | 0.3° |
| N17 | C18 | C41 | H411 | 0.6° | 0.0° |
| C18 | C19 | N20 | C21 | 178.9° | 179.8° |
| C18 | C19 | N20 | C32 | 179.4° | 180.0° |
| C18 | C19 | C32 | C33 | 0.0° | 0.0° |
| C19 | C18 | C41 | C34 | 0.6° | 0.3° |
| C18 | C19 | N20 | C16 | 0.3° | 0.2° |
| C18 | C19 | C32 | H321 | 180.0° | 180.0° |
| C19 | C18 | C41 | H411 | 179.4° | 179.8° |
| N20 | C21 | C22 | C31 | 123.0° | 120.3° |
| N20 | C21 | C22 | H211 | 117.3° | 119.5° |
| N20 | C21 | C22 | N23 | 158.5° | 168.5° |
| N20 | C21 | C31 | C30 | 174.5° | 176.9° |
| C21 | N20 | C19 | C16 | 178.6° | 180.0° |
| C21 | N20 | C19 | C32 | 1.7° | 0.1° |
| N20 | C21 | C31 | H211 | 121.9° | 119.6° |
| N20 | C21 | C22 | H222 | 38.3° | 48.4° |
| N20 | C21 | C22 | H221 | 81.2° | 71.5° |
| N20 | C21 | C31 | H312 | 64.9° | 61.8° |
| N20 | C21 | C31 | H311 | 53.9° | 55.7° |
| C21 | C22 | N23 | H222 | 120.3° | 120.1° |
| C21 | C22 | N23 | H221 | 120.2° | 120.0° |
| C21 | C22 | N23 | C24 | 88.7° | 89.3° |
| C21 | C22 | N23 | C28 | 90.4° | 90.8° |
| C22 | C21 | C31 | C30 | 55.9° | 62.9° |
| C22 | C21 | N20 | C19 | 115.5° | 119.2° |
| C22 | C21 | N20 | C16 | 62.8° | 60.8° |
| C22 | C21 | C31 | H211 | 119.6° | 120.1° |
| C21 | C22 | H222 | H221 | 119.2° | 120.0° |
| C22 | C21 | C31 | H312 | 176.5° | 58.5° |
| C22 | C21 | C31 | H311 | 64.6° | 175.9° |
| C22 | N23 | C24 | C25 | 178.9° | 180.0° |
| C22 | N23 | C24 | O27 | 1.2° | 0.1° |
| C22 | N23 | C24 | C28 | 179.0° | 179.9° |
| C22 | N23 | C28 | C29 | 29.1° | 42.2° |
| N23 | C22 | C21 | C31 | 78.4° | 71.3° |
| N23 | C22 | C21 | H211 | 41.3° | 48.9° |
| N23 | C22 | H222 | H221 | 119.3° | 119.9° |
| C22 | N23 | C28 | H282 | 149.4° | 78.5° |
| C22 | N23 | C28 | H281 | 91.2° | 162.7° |
| C26 | C25 | C24 | H252 | 119.9° | 120.0° |
| C26 | C25 | C24 | H251 | 119.9° | 120.0° |
| C26 | C25 | C24 | O27 | 79.7° | 0.0° |
| C26 | C25 | C24 | N23 | 98.0° | 180.0° |
| C25 | C26 | H261 | H263 | 120.0° | 120.1° |
| C25 | C26 | H261 | H262 | 120.0° | 120.0° |
| C25 | C26 | H263 | H262 | 120.0° | 120.0° |
| C26 | C25 | H252 | H251 | 120.3° | 120.0° |
| C25 | C24 | O27 | N23 | 177.8° | 179.9° |
| C25 | C24 | N23 | C28 | 2.0° | 0.1° |
| C24 | C25 | C26 | H261 | 180.0° | 60.1° |
| C24 | C25 | C26 | H263 | 60.0° | 60.0° |
| C24 | C25 | C26 | H262 | 60.0° | 180.0° |
| C24 | C25 | H252 | H251 | 120.3° | 120.0° |
| O27 | C24 | N23 | C28 | 179.8° | 180.0° |
| O27 | C24 | C25 | H252 | 40.2° | 120.1° |
| O27 | C24 | C25 | H251 | 160.4° | 120.0° |
| C24 | N23 | C28 | C29 | 149.9° | 137.9° |
| C24 | N23 | C22 | H222 | 31.6° | 30.7° |
| C24 | N23 | C22 | H221 | 151.1° | 150.6° |
| C24 | N23 | C28 | H282 | 29.6° | 101.4° |
| C24 | N23 | C28 | H281 | 89.8° | 17.4° |
| N23 | C24 | C25 | H252 | 142.1° | 60.0° |
| N23 | C24 | C25 | H251 | 21.9° | 59.9° |
| N23 | C28 | C29 | H282 | 120.3° | 120.7° |
| N23 | C28 | C29 | H281 | 120.3° | 120.6° |
| N23 | C28 | C29 | C30 | 50.7° | 40.6° |
| C28 | N23 | C22 | H222 | 149.3° | 149.2° |
| C28 | N23 | C22 | H221 | 29.8° | 29.3° |
| N23 | C28 | H282 | H281 | 119.1° | 118.8° |
| N23 | C28 | C29 | H292 | 171.3° | 160.8° |
| N23 | C28 | C29 | H291 | 70.0° | 79.5° |
| C28 | C29 | C30 | H292 | 120.6° | 120.2° |
| C28 | C29 | C30 | H291 | 120.6° | 120.1° |
| C28 | C29 | C30 | C31 | 91.0° | 91.9° |
| C29 | C28 | H282 | H281 | 119.1° | 118.6° |
| C28 | C29 | H292 | H291 | 118.2° | 119.7° |
| C28 | C29 | C30 | H302 | 29.7° | 28.1° |
| C28 | C29 | C30 | H301 | 148.2° | 148.2° |
| C29 | C30 | C31 | H302 | 120.8° | 120.0° |
| C29 | C30 | C31 | H301 | 120.8° | 119.9° |
| C29 | C30 | C31 | C21 | 69.6° | 85.1° |
| C30 | C29 | C28 | H282 | 69.6° | 161.2° |
| C30 | C29 | C28 | H281 | 171.0° | 80.1° |
| C30 | C29 | H292 | H291 | 118.2° | 119.7° |
| C29 | C30 | H302 | H301 | 117.6° | 120.1° |
| C29 | C30 | C31 | H312 | 169.8° | 36.2° |
| C29 | C30 | C31 | H311 | 51.0° | 153.7° |
| C30 | C31 | C21 | H312 | 120.6° | 121.3° |
| C30 | C31 | C21 | H311 | 120.6° | 121.2° |
| C30 | C31 | C21 | H211 | 63.6° | 57.3° |
| C31 | C30 | C29 | H292 | 148.4° | 147.9° |
| C31 | C30 | C29 | H291 | 29.6° | 28.2° |
| C31 | C30 | H302 | H301 | 117.6° | 120.0° |
| C30 | C31 | H312 | H311 | 118.2° | 117.6° |
| N20 | C19 | C32 | C33 | 179.4° | 179.9° |
| N20 | C19 | C18 | C41 | 179.5° | 179.8° |
| C19 | N20 | C21 | C31 | 122.8° | 120.0° |
| C19 | N20 | C21 | H211 | 1.2° | 0.4° |
| N20 | C19 | C32 | H321 | 0.6° | 0.0° |
| C19 | C32 | C33 | H321 | 180.0° | 179.9° |
| C19 | C32 | C33 | C34 | 0.4° | 0.1° |
| C32 | C19 | N20 | C16 | 179.7° | 179.9° |
| C32 | C19 | C18 | C41 | 0.0° | 0.1° |
| C19 | C32 | C33 | H331 | 179.6° | 180.0° |
| C32 | C33 | C34 | H331 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 178.7° | 180.0° |
| C32 | C33 | C34 | C41 | 1.0° | 0.2° |
| C33 | C34 | C35 | N36 | 69.7° | 0.1° |
| C33 | C34 | C35 | O40 | 110.7° | 180.0° |
| C33 | C34 | C35 | C41 | 177.8° | 179.8° |
| C33 | C34 | C41 | C18 | 1.0° | 0.3° |
| C34 | C33 | C32 | H321 | 179.6° | 180.0° |
| C33 | C34 | C41 | H411 | 178.9° | 179.8° |
| N36 | C37 | C38 | H371 | 119.5° | 120.0° |
| N36 | C37 | C38 | H372 | 119.6° | 120.0° |
| N36 | C37 | C38 | C39 | 17.5° | 137.0° |
| C37 | N36 | C35 | H361 | 180.0° | 180.0° |
| C37 | N36 | C35 | O40 | 179.7° | 0.1° |
| C37 | N36 | C35 | C34 | 0.0° | 180.0° |
| N36 | C37 | H371 | H372 | 121.3° | 120.0° |
| C38 | C37 | N36 | C35 | 164.0° | 180.0° |
| C38 | C37 | H371 | H372 | 121.4° | 120.0° |
| C37 | C38 | C39 | H391 | 161.2° | 172.1° |
| C38 | C37 | N36 | H361 | 16.0° | 0.0° |
| C39 | C38 | C37 | H371 | 102.0° | 103.0° |
| C39 | C38 | C37 | H372 | 137.0° | 17.0° |
| N36 | C35 | O40 | C34 | 179.6° | 179.9° |
| N36 | C35 | C34 | C41 | 112.5° | 179.9° |
| C35 | N36 | C37 | H371 | 44.5° | 60.0° |
| C35 | N36 | C37 | H372 | 76.4° | 60.0° |
| O40 | C35 | C34 | C41 | 67.1° | 0.2° |
| O40 | C35 | N36 | H361 | 0.3° | 180.0° |
| C35 | C34 | C41 | C18 | 178.9° | 179.9° |
| C35 | C34 | C33 | H331 | 1.3° | 0.1° |
| C35 | C34 | C41 | H411 | 1.0° | 0.0° |
| C34 | C35 | N36 | H361 | 179.9° | 0.1° |
| C34 | C41 | C18 | H411 | 180.0° | 179.9° |
| C41 | C34 | C33 | H331 | 179.1° | 179.9° |
| C03 | C14 | C13 | H131 | 179.9° | 180.0° |
| C14 | C03 | C04 | H041 | 178.8° | 180.0° |
| C11 | C06 | C07 | H071 | 180.0° | 179.8° |
| C16 | N20 | C21 | C31 | 58.9° | 60.0° |
| C16 | N20 | C21 | H211 | 179.5° | 179.7° |
| N20 | C16 | N15 | H151 | 2.2° | 0.0° |
| C31 | C21 | C22 | H222 | 161.3° | 168.7° |
| C31 | C21 | C22 | H221 | 41.8° | 48.7° |
| C21 | C31 | C30 | H302 | 51.1° | 34.9° |
| C21 | C31 | C30 | H301 | 169.6° | 155.0° |
| C21 | C31 | H312 | H311 | 118.2° | 117.6° |
| H131 | C13 | C14 | H141 | 0.0° | 0.1° |
| H211 | C21 | C22 | H222 | 79.0° | 71.1° |
| H211 | C21 | C22 | H221 | 161.5° | 168.9° |
| H211 | C21 | C31 | H312 | 57.0° | 178.6° |
| H211 | C21 | C31 | H311 | 175.8° | 63.9° |
| H261 | C26 | H263 | H262 | 120.0° | 120.0° |
| H261 | C26 | C25 | H252 | 60.1° | 179.9° |
| H261 | C26 | C25 | H251 | 60.1° | 60.0° |
| H263 | C26 | C25 | H252 | 59.9° | 60.0° |
| H263 | C26 | C25 | H251 | 179.9° | 179.9° |
| H262 | C26 | C25 | H252 | 179.9° | 60.0° |
| H262 | C26 | C25 | H251 | 59.9° | 60.0° |
| H282 | C28 | C29 | H292 | 51.0° | 78.5° |
| H282 | C28 | C29 | H291 | 169.8° | 41.2° |
| H281 | C28 | C29 | H292 | 68.4° | 40.2° |
| H281 | C28 | C29 | H291 | 50.3° | 159.9° |
| H091 | C09 | H092 | H093 | 120.0° | 120.0° |
| H292 | C29 | C30 | H302 | 90.9° | 92.1° |
| H292 | C29 | C30 | H301 | 27.6° | 28.0° |
| H291 | C29 | C30 | H302 | 150.4° | 148.2° |
| H291 | C29 | C30 | H301 | 91.2° | 91.7° |
| H302 | C30 | C31 | H312 | 69.4° | 156.2° |
| H302 | C30 | C31 | H311 | 171.7° | 86.3° |
| H301 | C30 | C31 | H312 | 49.0° | 83.7° |
| H301 | C30 | C31 | H311 | 69.8° | 33.8° |
| H321 | C32 | C33 | H331 | 0.4° | 0.1° |
| H371 | C37 | N36 | H361 | 135.5° | 120.0° |
| H372 | C37 | N36 | H361 | 103.6° | 120.1° |
