A1CLL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.51Å | 1.55Å | |
| C03 | C02 | doub | 1.38Å | 1.40Å | Aromatic |
| C04 | C03 | sing | 1.40Å | 1.40Å | Aromatic |
| C06 | C05 | doub | 1.39Å | 1.40Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.55Å | |
| C08 | C06 | sing | 1.39Å | 1.40Å | Aromatic |
| C10 | O09 | sing | 1.43Å | 1.44Å | |
| C12 | C11 | sing | 1.53Å | 1.57Å | |
| N13 | C12 | sing | 1.47Å | 1.50Å | |
| C15 | C14 | sing | 1.51Å | 1.58Å | |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.43Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | N19 | sing | 1.47Å | 1.45Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| N22 | C21 | sing | 1.47Å | 1.40Å | |
| C23 | N22 | sing | 1.47Å | 1.30Å | |
| C24 | N22 | sing | 1.47Å | 1.38Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| N19 | C18 | sing | 1.40Å | 1.48Å | |
| C26 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| N27 | C26 | doub | 1.32Å | 1.33Å | Aromatic |
| C14 | N13 | sing | 1.47Å | 1.24Å | |
| C28 | N13 | sing | 1.47Å | 1.46Å | |
| C29 | C28 | sing | 1.53Å | 1.51Å | |
| C11 | C10 | sing | 1.53Å | 1.43Å | |
| C30 | C10 | sing | 1.53Å | 1.57Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| O09 | C08 | sing | 1.36Å | 1.43Å | |
| C32 | C08 | doub | 1.38Å | 1.34Å | Aromatic |
| C33 | C32 | sing | 1.39Å | 1.45Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.43Å | Aromatic |
| C05 | C04 | sing | 1.48Å | 1.55Å | |
| C35 | C04 | doub | 1.40Å | 1.40Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| N37 | C36 | doub | 1.32Å | 1.33Å | Aromatic |
| C02 | N37 | sing | 1.32Å | 1.33Å | Aromatic |
| C05 | C34 | sing | 1.40Å | 1.42Å | Aromatic |
| C10 | C29 | sing | 1.53Å | 1.49Å | |
| C15 | N27 | sing | 1.32Å | 1.34Å | Aromatic |
| N19 | C25 | sing | 1.47Å | 1.46Å | |
| C31 | C32 | sing | 1.51Å | 1.53Å | |
| C17 | H171 | 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 | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H073 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | 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 | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 119.4° | 119.5° |
| C01 | C02 | N37 | 120.2° | 119.6° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C03 | C04 | 120.1° | 119.0° |
| C03 | C02 | N37 | 120.5° | 120.9° |
| C02 | C03 | H031 | 120.0° | 120.5° |
| C03 | C04 | C05 | 120.5° | 120.9° |
| C03 | C04 | C35 | 117.6° | 118.2° |
| C04 | C03 | H031 | 120.0° | 120.5° |
| C05 | C06 | C07 | 126.9° | 119.9° |
| C05 | C06 | C08 | 118.9° | 120.2° |
| C06 | C05 | C04 | 115.0° | 120.2° |
| C06 | C05 | C34 | 117.5° | 119.6° |
| C07 | C06 | C08 | 114.2° | 119.9° |
| C06 | C07 | H071 | 109.5° | 109.5° |
| C06 | C07 | H072 | 109.5° | 109.4° |
| C06 | C07 | H073 | 109.5° | 109.5° |
| C06 | C08 | O09 | 109.3° | 118.4° |
| C06 | C08 | C32 | 126.2° | 119.8° |
| O09 | C10 | C11 | 145.1° | 109.9° |
| O09 | C10 | C30 | 114.3° | 108.7° |
| C10 | O09 | C08 | 120.2° | 118.0° |
| O09 | C10 | C29 | 85.5° | 109.8° |
| C11 | C12 | N13 | 113.2° | 109.5° |
| C12 | C11 | C10 | 93.5° | 109.3° |
| C12 | C11 | H111 | 113.3° | 109.5° |
| C12 | C11 | H112 | 113.3° | 109.5° |
| C11 | C12 | H121 | 108.5° | 109.5° |
| C11 | C12 | H122 | 108.5° | 109.5° |
| C12 | N13 | C14 | 115.3° | 111.0° |
| C12 | N13 | C28 | 111.1° | 111.2° |
| N13 | C12 | H121 | 108.5° | 109.5° |
| N13 | C12 | H122 | 108.6° | 109.5° |
| C14 | C15 | C16 | 122.5° | 119.5° |
| C15 | C14 | N13 | 112.4° | 109.4° |
| C14 | C15 | N27 | 117.4° | 119.5° |
| C15 | C14 | H141 | 108.8° | 109.5° |
| C15 | C14 | H142 | 108.7° | 109.5° |
| C15 | C16 | C17 | 117.9° | 119.2° |
| C16 | C15 | N27 | 120.2° | 120.9° |
| C15 | C16 | H161 | 121.0° | 120.4° |
| C16 | C17 | C18 | 117.8° | 118.4° |
| C16 | C17 | H171 | 121.1° | 120.9° |
| C17 | C16 | H161 | 121.0° | 120.4° |
| C17 | C18 | N19 | 123.6° | 120.5° |
| C17 | C18 | C26 | 121.7° | 119.0° |
| C18 | C17 | H171 | 121.1° | 120.8° |
| N19 | C20 | C21 | 111.0° | 109.4° |
| C20 | N19 | C18 | 119.9° | 111.0° |
| C20 | N19 | C25 | 111.9° | 110.9° |
| N19 | C20 | H201 | 109.1° | 109.5° |
| N19 | C20 | H202 | 109.1° | 109.5° |
| C20 | C21 | N22 | 112.9° | 109.4° |
| C21 | C20 | H201 | 109.1° | 109.5° |
| C21 | C20 | H202 | 109.1° | 109.5° |
| C20 | C21 | H211 | 108.6° | 109.5° |
| C20 | C21 | H212 | 108.6° | 109.5° |
| C21 | N22 | C23 | 113.2° | 111.0° |
| C21 | N22 | C24 | 113.5° | 110.9° |
| N22 | C21 | H211 | 108.6° | 109.5° |
| N22 | C21 | H212 | 108.6° | 109.5° |
| C23 | N22 | C24 | 110.8° | 111.0° |
| N22 | C23 | H231 | 109.5° | 109.5° |
| N22 | C23 | H232 | 109.5° | 109.5° |
| N22 | C23 | H233 | 109.5° | 109.5° |
| N22 | C24 | C25 | 112.1° | 109.4° |
| N22 | C24 | H241 | 108.8° | 109.5° |
| N22 | C24 | H242 | 108.8° | 109.5° |
| C24 | C25 | N19 | 115.0° | 109.4° |
| C25 | C24 | H241 | 108.8° | 109.5° |
| C25 | C24 | H242 | 108.8° | 109.5° |
| C24 | C25 | H251 | 108.1° | 109.5° |
| C24 | C25 | H252 | 108.1° | 109.5° |
| N19 | C18 | C26 | 114.7° | 120.5° |
| C18 | N19 | C25 | 115.5° | 111.0° |
| C18 | C26 | N27 | 117.3° | 120.6° |
| C18 | C26 | H261 | 121.3° | 119.7° |
| C26 | N27 | C15 | 125.1° | 121.8° |
| N27 | C26 | H261 | 121.3° | 119.7° |
| C14 | N13 | C28 | 108.3° | 111.0° |
| N13 | C14 | H141 | 108.7° | 109.4° |
| N13 | C14 | H142 | 108.7° | 109.4° |
| N13 | C28 | C29 | 110.7° | 109.5° |
| N13 | C28 | H281 | 109.2° | 109.5° |
| N13 | C28 | H282 | 109.2° | 109.5° |
| C28 | C29 | C10 | 115.6° | 109.3° |
| C29 | C28 | H281 | 109.2° | 109.5° |
| C29 | C28 | H282 | 109.2° | 109.5° |
| C28 | C29 | H291 | 107.9° | 109.5° |
| C28 | C29 | H292 | 107.9° | 109.5° |
| C11 | C10 | C30 | 90.2° | 109.5° |
| C11 | C10 | C29 | 109.7° | 109.4° |
| C10 | C11 | H111 | 113.3° | 109.5° |
| C10 | C11 | H112 | 113.3° | 109.5° |
| C10 | C30 | C31 | 111.9° | 108.4° |
| C30 | C10 | C29 | 110.4° | 109.5° |
| C10 | C30 | H301 | 108.9° | 109.6° |
| C10 | C30 | H302 | 108.9° | 109.7° |
| C30 | C31 | C32 | 113.8° | 109.7° |
| C31 | C30 | H301 | 108.9° | 109.7° |
| C31 | C30 | H302 | 108.9° | 109.7° |
| C30 | C31 | H311 | 108.4° | 109.5° |
| C30 | C31 | H312 | 108.4° | 109.4° |
| O09 | C08 | C32 | 124.5° | 121.8° |
| C08 | C32 | C33 | 117.2° | 120.1° |
| C08 | C32 | C31 | 120.0° | 121.3° |
| C32 | C33 | C34 | 118.0° | 120.5° |
| C33 | C32 | C31 | 122.8° | 118.6° |
| C32 | C33 | H331 | 121.0° | 119.8° |
| C33 | C34 | C05 | 122.2° | 119.9° |
| C34 | C33 | H331 | 121.0° | 119.8° |
| C33 | C34 | H341 | 118.9° | 120.1° |
| C05 | C04 | C35 | 121.8° | 120.9° |
| C04 | C05 | C34 | 127.5° | 120.2° |
| C04 | C35 | C36 | 119.2° | 119.0° |
| C04 | C35 | H351 | 120.4° | 120.5° |
| C35 | C36 | N37 | 121.5° | 120.9° |
| C36 | C35 | H351 | 120.4° | 120.5° |
| C35 | C36 | H361 | 119.2° | 119.6° |
| C36 | N37 | C02 | 121.1° | 122.0° |
| N37 | C36 | H361 | 119.2° | 119.6° |
| C05 | C34 | H341 | 118.9° | 120.1° |
| C10 | C29 | H291 | 107.9° | 109.5° |
| C10 | C29 | H292 | 107.9° | 109.5° |
| N19 | C25 | H251 | 108.1° | 109.5° |
| N19 | C25 | H252 | 108.1° | 109.5° |
| C32 | C31 | H311 | 108.4° | 109.4° |
| C32 | C31 | H312 | 108.4° | 109.4° |
| H201 | C20 | H202 | 109.4° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.4° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.4° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H071 | C07 | H073 | 109.4° | 109.5° |
| H072 | C07 | H073 | 109.5° | 109.4° |
| H111 | C11 | H112 | 109.4° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.4° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.4° |
| H231 | C23 | H233 | 109.4° | 109.5° |
| H232 | C23 | H233 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.4° | 109.7° |
| H311 | C31 | H312 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | N37 | 179.5° | 179.7° |
| C01 | C02 | C03 | C04 | 179.4° | 180.0° |
| C01 | C02 | N37 | C36 | 179.7° | 179.8° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 0.5° | 0.1° |
| C02 | C03 | C04 | H031 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 177.5° | 180.0° |
| C02 | C03 | C04 | C35 | 1.3° | 0.0° |
| C03 | C02 | N37 | C36 | 0.9° | 0.5° |
| C03 | C02 | C01 | H011 | 179.5° | 89.7° |
| C03 | C02 | C01 | H012 | 59.4° | 30.3° |
| C03 | C02 | C01 | H013 | 60.5° | 150.3° |
| C03 | C04 | C05 | C06 | 67.1° | 130.0° |
| C03 | C04 | C05 | C35 | 176.0° | 180.0° |
| C03 | C04 | C35 | C36 | 1.8° | 0.0° |
| C04 | C03 | C02 | N37 | 0.0° | 0.3° |
| C03 | C04 | C05 | C34 | 113.8° | 50.0° |
| C03 | C04 | C35 | H351 | 178.2° | 179.9° |
| C05 | C06 | C07 | C08 | 179.7° | 180.0° |
| C05 | C06 | C08 | O09 | 179.5° | 179.3° |
| C05 | C06 | C08 | C32 | 0.4° | 0.2° |
| C06 | C05 | C34 | C33 | 0.8° | 0.1° |
| C06 | C05 | C04 | C34 | 179.2° | 180.0° |
| C06 | C05 | C04 | C35 | 109.0° | 50.0° |
| C05 | C06 | C07 | H071 | 90.1° | 90.0° |
| C05 | C06 | C07 | H072 | 149.8° | 150.0° |
| C05 | C06 | C07 | H073 | 29.8° | 30.1° |
| C06 | C05 | C34 | H341 | 179.2° | 179.9° |
| C07 | C06 | C08 | O09 | 0.3° | 0.7° |
| C07 | C06 | C08 | C32 | 179.8° | 179.7° |
| C07 | C06 | C05 | C04 | 0.2° | 0.0° |
| C07 | C06 | C05 | C34 | 179.5° | 179.9° |
| C06 | C07 | H071 | H072 | 120.0° | 120.0° |
| C06 | C07 | H071 | H073 | 120.0° | 120.0° |
| C06 | C07 | H072 | H073 | 120.0° | 120.0° |
| C06 | C08 | O09 | C10 | 178.9° | 163.7° |
| C06 | C08 | O09 | C32 | 179.9° | 179.5° |
| C06 | C08 | C32 | C33 | 0.5° | 0.3° |
| C08 | C06 | C05 | C04 | 179.5° | 180.0° |
| C08 | C06 | C05 | C34 | 0.2° | 0.0° |
| C06 | C08 | C32 | C31 | 178.8° | 179.7° |
| C08 | C06 | C07 | H071 | 90.1° | 90.0° |
| C08 | C06 | C07 | H072 | 29.9° | 30.0° |
| C08 | C06 | C07 | H073 | 149.9° | 150.0° |
| O09 | C10 | C11 | C12 | 39.2° | 63.3° |
| O09 | C10 | C29 | C28 | 83.9° | 63.3° |
| O09 | C10 | C11 | C30 | 136.6° | 119.4° |
| O09 | C10 | C11 | C29 | 111.6° | 120.6° |
| O09 | C10 | C30 | C29 | 94.4° | 119.9° |
| O09 | C10 | C30 | C31 | 43.4° | 64.2° |
| C10 | O09 | C08 | C32 | 1.0° | 16.7° |
| O09 | C10 | C11 | H111 | 156.5° | 56.7° |
| O09 | C10 | C11 | H112 | 78.1° | 176.8° |
| O09 | C10 | C29 | H291 | 36.9° | 176.8° |
| O09 | C10 | C29 | H292 | 155.1° | 56.7° |
| O09 | C10 | C30 | H301 | 163.7° | 55.5° |
| O09 | C10 | C30 | H302 | 77.0° | 176.0° |
| C11 | C12 | N13 | H121 | 120.6° | 120.0° |
| C11 | C12 | N13 | H122 | 120.6° | 120.0° |
| C11 | C12 | N13 | C14 | 176.5° | 174.1° |
| C11 | C12 | N13 | C28 | 59.8° | 61.8° |
| C12 | C11 | C10 | H111 | 117.3° | 120.0° |
| C12 | C11 | C10 | H112 | 117.3° | 120.0° |
| C12 | C11 | C10 | C30 | 175.7° | 177.3° |
| C12 | C11 | C10 | C29 | 72.4° | 57.3° |
| C12 | C11 | H111 | H112 | 127.6° | 120.1° |
| C11 | C12 | H121 | H122 | 118.3° | 120.0° |
| C12 | N13 | C14 | C15 | 177.9° | 65.8° |
| C12 | N13 | C14 | C28 | 125.1° | 124.2° |
| C12 | N13 | C28 | C29 | 36.8° | 61.9° |
| N13 | C12 | C11 | C10 | 75.0° | 58.9° |
| C12 | N13 | C28 | H281 | 83.4° | 178.2° |
| C12 | N13 | C28 | H282 | 157.0° | 58.2° |
| N13 | C12 | C11 | H111 | 42.3° | 178.9° |
| N13 | C12 | C11 | H112 | 167.8° | 61.0° |
| N13 | C12 | H121 | H122 | 118.3° | 120.0° |
| C12 | N13 | C14 | H141 | 57.5° | 54.2° |
| C12 | N13 | C14 | H142 | 61.6° | 174.2° |
| C14 | C15 | C16 | N27 | 179.9° | 179.7° |
| C14 | C15 | C16 | C17 | 180.0° | 180.0° |
| C14 | C15 | N27 | C26 | 179.9° | 179.9° |
| C15 | C14 | N13 | H141 | 120.5° | 120.0° |
| C15 | C14 | N13 | H142 | 120.4° | 120.0° |
| C15 | C14 | N13 | C28 | 57.0° | 170.0° |
| C15 | C14 | H141 | H142 | 118.7° | 120.1° |
| C14 | C15 | C16 | H161 | 0.0° | 0.0° |
| C15 | C16 | C17 | H161 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.5° | 0.0° |
| C16 | C15 | N27 | C26 | 0.2° | 0.2° |
| C16 | C15 | C14 | N13 | 149.4° | 95.3° |
| C15 | C16 | C17 | H171 | 179.5° | 180.0° |
| C16 | C15 | C14 | H141 | 90.1° | 144.8° |
| C16 | C15 | C14 | H142 | 29.0° | 24.7° |
| C16 | C17 | C18 | H171 | 180.0° | 180.0° |
| C16 | C17 | C18 | N19 | 179.3° | 179.7° |
| C16 | C17 | C18 | C26 | 0.9° | 0.3° |
| C17 | C16 | C15 | N27 | 0.1° | 0.2° |
| C17 | C18 | N19 | C20 | 24.9° | 180.0° |
| C17 | C18 | N19 | C26 | 178.5° | 179.9° |
| C17 | C18 | C26 | N27 | 0.8° | 0.4° |
| C17 | C18 | N19 | C25 | 113.9° | 56.2° |
| C17 | C18 | C26 | H261 | 179.2° | 180.0° |
| C18 | C17 | C16 | H161 | 179.6° | 180.0° |
| N19 | C20 | C21 | H201 | 120.3° | 120.0° |
| N19 | C20 | C21 | H202 | 120.2° | 120.0° |
| N19 | C20 | C21 | N22 | 54.5° | 58.4° |
| C20 | N19 | C25 | C24 | 45.2° | 59.3° |
| C20 | N19 | C18 | C25 | 138.7° | 123.8° |
| C20 | N19 | C18 | C26 | 156.7° | 0.1° |
| N19 | C20 | H201 | H202 | 119.3° | 120.0° |
| N19 | C20 | C21 | H211 | 175.0° | 178.3° |
| N19 | C20 | C21 | H212 | 66.0° | 61.6° |
| C20 | N19 | C25 | H251 | 75.6° | 60.7° |
| C20 | N19 | C25 | H252 | 166.0° | 179.3° |
| C20 | C21 | N22 | H211 | 120.5° | 120.0° |
| C20 | C21 | N22 | H212 | 120.5° | 120.0° |
| C20 | C21 | N22 | C23 | 175.0° | 176.8° |
| C20 | C21 | N22 | C24 | 57.6° | 59.3° |
| C21 | C20 | N19 | C18 | 172.3° | 176.8° |
| C21 | C20 | N19 | C25 | 47.6° | 59.3° |
| C21 | C20 | H201 | H202 | 119.3° | 120.0° |
| C20 | C21 | H211 | H212 | 118.4° | 120.1° |
| C21 | N22 | C23 | C24 | 128.8° | 123.8° |
| C21 | N22 | C24 | C25 | 52.5° | 59.3° |
| N22 | C21 | C20 | H201 | 65.8° | 178.4° |
| N22 | C21 | C20 | H202 | 174.7° | 61.6° |
| N22 | C21 | H211 | H212 | 118.5° | 120.0° |
| C21 | N22 | C24 | H241 | 172.9° | 60.7° |
| C21 | N22 | C24 | H242 | 67.9° | 179.3° |
| C21 | N22 | C23 | H231 | 180.0° | 176.2° |
| C21 | N22 | C23 | H232 | 60.0° | 56.2° |
| C21 | N22 | C23 | H233 | 60.0° | 63.8° |
| C23 | N22 | C24 | C25 | 178.8° | 176.8° |
| C23 | N22 | C21 | H211 | 54.5° | 56.8° |
| C23 | N22 | C21 | H212 | 64.5° | 63.2° |
| C23 | N22 | C24 | H241 | 58.4° | 63.2° |
| C23 | N22 | C24 | H242 | 60.8° | 56.8° |
| N22 | C23 | H231 | H232 | 120.0° | 120.0° |
| N22 | C23 | H231 | H233 | 120.0° | 120.0° |
| N22 | C23 | H232 | H233 | 120.0° | 120.1° |
| N22 | C24 | C25 | H241 | 120.4° | 120.0° |
| N22 | C24 | C25 | H242 | 120.4° | 120.0° |
| N22 | C24 | C25 | N19 | 46.8° | 58.4° |
| C24 | N22 | C21 | H211 | 178.1° | 179.3° |
| C24 | N22 | C21 | H212 | 62.9° | 60.7° |
| N22 | C24 | H241 | H242 | 118.8° | 120.1° |
| C24 | N22 | C23 | H231 | 51.2° | 60.0° |
| C24 | N22 | C23 | H232 | 171.2° | 180.0° |
| C24 | N22 | C23 | H233 | 68.8° | 60.0° |
| N22 | C24 | C25 | H251 | 74.0° | 61.6° |
| N22 | C24 | C25 | H252 | 167.6° | 178.4° |
| C24 | C25 | N19 | C18 | 172.9° | 176.8° |
| C24 | C25 | N19 | H251 | 120.8° | 119.9° |
| C24 | C25 | N19 | H252 | 120.8° | 120.0° |
| C25 | C24 | H241 | H242 | 118.8° | 120.0° |
| C24 | C25 | H251 | H252 | 117.5° | 120.1° |
| N19 | C18 | C26 | N27 | 179.3° | 179.7° |
| N19 | C18 | C17 | H171 | 0.7° | 0.2° |
| C18 | N19 | C20 | H201 | 67.5° | 56.8° |
| C18 | N19 | C20 | H202 | 52.0° | 63.2° |
| N19 | C18 | C26 | H261 | 0.7° | 0.1° |
| C18 | N19 | C25 | H251 | 66.3° | 63.2° |
| C18 | N19 | C25 | H252 | 52.1° | 56.8° |
| C18 | C26 | N27 | H261 | 180.0° | 179.6° |
| C18 | C26 | N27 | C15 | 0.3° | 0.1° |
| C26 | C18 | N19 | C25 | 64.6° | 123.8° |
| C26 | C18 | C17 | H171 | 179.1° | 179.7° |
| C14 | N13 | C28 | C29 | 164.4° | 174.1° |
| N13 | C14 | C15 | N27 | 30.5° | 85.0° |
| C14 | N13 | C28 | H281 | 44.2° | 54.1° |
| C14 | N13 | C28 | H282 | 75.5° | 65.9° |
| C14 | N13 | C12 | H121 | 62.9° | 65.9° |
| C14 | N13 | C12 | H122 | 56.0° | 54.1° |
| N13 | C14 | H141 | H142 | 118.7° | 119.9° |
| N13 | C28 | C29 | H281 | 120.2° | 120.0° |
| N13 | C28 | C29 | H282 | 120.2° | 120.0° |
| N13 | C28 | C29 | C10 | 38.8° | 59.0° |
| N13 | C28 | H281 | H282 | 119.5° | 120.0° |
| C28 | N13 | C12 | H121 | 60.7° | 58.2° |
| C28 | N13 | C12 | H122 | 179.6° | 178.2° |
| C28 | N13 | C14 | H141 | 177.4° | 70.0° |
| C28 | N13 | C14 | H142 | 63.5° | 50.0° |
| N13 | C28 | C29 | H291 | 159.7° | 60.9° |
| N13 | C28 | C29 | H292 | 82.1° | 179.0° |
| C28 | C29 | C10 | C11 | 63.8° | 57.4° |
| C28 | C29 | C10 | C30 | 161.7° | 177.4° |
| C28 | C29 | C10 | H291 | 120.9° | 119.9° |
| C28 | C29 | C10 | H292 | 120.9° | 119.9° |
| C29 | C28 | H281 | H282 | 119.4° | 120.0° |
| C28 | C29 | H291 | H292 | 117.2° | 120.0° |
| C11 | C10 | C30 | C29 | 111.1° | 120.0° |
| C11 | C10 | C30 | C31 | 162.2° | 55.9° |
| C11 | C10 | O09 | C08 | 155.0° | 71.5° |
| C10 | C11 | H111 | H112 | 127.5° | 120.1° |
| C10 | C11 | C12 | H121 | 45.6° | 61.1° |
| C10 | C11 | C12 | H122 | 164.5° | 179.0° |
| C11 | C10 | C29 | H291 | 175.3° | 62.5° |
| C11 | C10 | C29 | H292 | 57.1° | 177.3° |
| C11 | C10 | C30 | H301 | 41.8° | 175.6° |
| C11 | C10 | C30 | H302 | 77.4° | 63.9° |
| C10 | C30 | C31 | H301 | 120.4° | 119.7° |
| C10 | C30 | C31 | H302 | 120.4° | 119.8° |
| C30 | C10 | O09 | C08 | 24.0° | 48.3° |
| C10 | C30 | C31 | C32 | 40.8° | 48.3° |
| C30 | C10 | C11 | H111 | 67.0° | 62.7° |
| C30 | C10 | C11 | H112 | 58.5° | 57.4° |
| C30 | C10 | C29 | H291 | 77.4° | 57.5° |
| C30 | C10 | C29 | H292 | 40.8° | 62.6° |
| C10 | C30 | H301 | H302 | 118.9° | 120.5° |
| C10 | C30 | C31 | H311 | 79.8° | 168.3° |
| C10 | C30 | C31 | H312 | 161.5° | 71.8° |
| C30 | C31 | C32 | C08 | 20.1° | 18.3° |
| C30 | C31 | C32 | C33 | 159.2° | 161.6° |
| C31 | C30 | C10 | C29 | 51.1° | 175.9° |
| C30 | C31 | C32 | H311 | 120.6° | 120.1° |
| C30 | C31 | C32 | H312 | 120.6° | 120.1° |
| C31 | C30 | H301 | H302 | 118.9° | 120.6° |
| C30 | C31 | H311 | H312 | 118.0° | 119.9° |
| O09 | C08 | C32 | C33 | 179.4° | 179.2° |
| C08 | O09 | C10 | C29 | 86.5° | 168.1° |
| O09 | C08 | C32 | C31 | 1.3° | 0.8° |
| C08 | C32 | C33 | C31 | 179.3° | 180.0° |
| C08 | C32 | C33 | C34 | 0.1° | 0.2° |
| C08 | C32 | C31 | H311 | 100.5° | 138.4° |
| C08 | C32 | C31 | H312 | 140.7° | 101.7° |
| C08 | C32 | C33 | H331 | 179.9° | 179.8° |
| C32 | C33 | C34 | H331 | 180.0° | 180.0° |
| C32 | C33 | C34 | C05 | 0.8° | 0.0° |
| C33 | C32 | C31 | H311 | 80.2° | 41.5° |
| C33 | C32 | C31 | H312 | 38.6° | 78.3° |
| C32 | C33 | C34 | H341 | 179.3° | 180.0° |
| C33 | C34 | C05 | C04 | 180.0° | 179.9° |
| C33 | C34 | C05 | H341 | 180.0° | 180.0° |
| C34 | C33 | C32 | C31 | 179.4° | 179.8° |
| C05 | C04 | C35 | C36 | 177.9° | 180.0° |
| C05 | C04 | C03 | H031 | 2.5° | 0.1° |
| C04 | C05 | C34 | H341 | 0.0° | 0.2° |
| C05 | C04 | C35 | H351 | 2.1° | 0.1° |
| C04 | C35 | C36 | H351 | 180.0° | 180.0° |
| C04 | C35 | C36 | N37 | 1.0° | 0.2° |
| C35 | C04 | C05 | C34 | 70.2° | 130.0° |
| C35 | C04 | C03 | H031 | 178.7° | 179.9° |
| C04 | C35 | C36 | H361 | 179.1° | 180.0° |
| C35 | C36 | N37 | H361 | 180.0° | 179.8° |
| C35 | C36 | N37 | C02 | 0.4° | 0.5° |
| N37 | C36 | C35 | H351 | 179.0° | 179.8° |
| N37 | C02 | C01 | H011 | 0.0° | 90.0° |
| N37 | C02 | C01 | H012 | 120.0° | 150.0° |
| N37 | C02 | C01 | H013 | 120.0° | 30.0° |
| N37 | C02 | C03 | H031 | 180.0° | 179.8° |
| C02 | N37 | C36 | H361 | 179.6° | 179.7° |
| C05 | C34 | C33 | H331 | 179.3° | 180.0° |
| C10 | C29 | C28 | H281 | 81.4° | 179.0° |
| C10 | C29 | C28 | H282 | 159.0° | 60.9° |
| C29 | C10 | C11 | H111 | 44.9° | 177.3° |
| C29 | C10 | C11 | H112 | 170.3° | 62.6° |
| C10 | C29 | H291 | H292 | 117.2° | 120.1° |
| C29 | C10 | C30 | H301 | 69.3° | 64.4° |
| C29 | C10 | C30 | H302 | 171.4° | 56.1° |
| C15 | N27 | C26 | H261 | 179.7° | 179.7° |
| N27 | C15 | C14 | H141 | 90.0° | 34.9° |
| N27 | C15 | C14 | H142 | 150.9° | 155.0° |
| N27 | C15 | C16 | H161 | 179.9° | 179.7° |
| C25 | N19 | C20 | H201 | 72.6° | 179.3° |
| C25 | N19 | C20 | H202 | 167.9° | 60.7° |
| N19 | C25 | C24 | H241 | 167.2° | 61.6° |
| N19 | C25 | C24 | H242 | 73.6° | 178.4° |
| N19 | C25 | H251 | H252 | 117.5° | 120.0° |
| C32 | C31 | C30 | H301 | 161.2° | 71.4° |
| C32 | C31 | C30 | H302 | 79.6° | 168.1° |
| C32 | C31 | H311 | H312 | 118.1° | 119.9° |
| C31 | C32 | C33 | H331 | 0.6° | 0.2° |
| H171 | C17 | C16 | H161 | 0.5° | 0.0° |
| H201 | C20 | C21 | H211 | 54.7° | 61.7° |
| H201 | C20 | C21 | H212 | 173.7° | 58.4° |
| H202 | C20 | C21 | H211 | 64.8° | 58.4° |
| H202 | C20 | C21 | H212 | 54.2° | 178.4° |
| H241 | C24 | C25 | H251 | 46.4° | 178.5° |
| H241 | C24 | C25 | H252 | 72.0° | 58.4° |
| H242 | C24 | C25 | H251 | 165.6° | 58.4° |
| H242 | C24 | C25 | H252 | 47.2° | 61.6° |
| H281 | C28 | C29 | H291 | 39.5° | 59.0° |
| H281 | C28 | C29 | H292 | 157.7° | 61.0° |
| H282 | C28 | C29 | H291 | 80.1° | 179.1° |
| H282 | C28 | C29 | H292 | 38.1° | 59.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H071 | C07 | H072 | H073 | 120.0° | 120.0° |
| H111 | C11 | C12 | H121 | 162.9° | 58.9° |
| H111 | C11 | C12 | H122 | 78.3° | 61.1° |
| H112 | C11 | C12 | H121 | 71.6° | 178.9° |
| H112 | C11 | C12 | H122 | 47.2° | 59.0° |
| H231 | C23 | H232 | H233 | 120.0° | 120.0° |
| H301 | C30 | C31 | H311 | 40.6° | 48.6° |
| H301 | C30 | C31 | H312 | 78.1° | 168.5° |
| H302 | C30 | C31 | H311 | 159.8° | 71.9° |
| H302 | C30 | C31 | H312 | 41.1° | 48.0° |
| H331 | C33 | C34 | H341 | 0.7° | 0.1° |
| H351 | C35 | C36 | H361 | 0.9° | 0.0° |
