A1CLP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.51Å | 1.54Å | |
| C03 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.40Å | 1.40Å | Aromatic |
| C06 | C05 | doub | 1.39Å | 1.42Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.55Å | |
| C08 | C06 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | O09 | sing | 1.43Å | 1.41Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| N13 | C12 | sing | 1.47Å | 1.47Å | |
| C15 | C14 | sing | 1.51Å | 1.58Å | |
| C16 | C15 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C21 | N20 | sing | 1.47Å | 1.46Å | |
| C22 | C21 | sing | 1.53Å | 1.54Å | |
| N23 | C22 | sing | 1.47Å | 1.38Å | |
| C24 | N23 | sing | 1.47Å | 1.29Å | |
| C25 | N23 | sing | 1.47Å | 1.39Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| N20 | C19 | sing | 1.39Å | 1.46Å | |
| N27 | C19 | doub | 1.32Å | 1.34Å | Aromatic |
| C14 | N13 | sing | 1.47Å | 1.24Å | |
| C28 | N13 | sing | 1.47Å | 1.47Å | |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| C11 | C10 | sing | 1.53Å | 1.48Å | |
| C30 | C10 | sing | 1.53Å | 1.55Å | |
| C31 | C30 | sing | 1.53Å | 1.51Å | |
| O09 | C08 | sing | 1.36Å | 1.45Å | |
| C32 | C08 | doub | 1.38Å | 1.41Å | Aromatic |
| C33 | C32 | sing | 1.39Å | 1.41Å | Aromatic |
| C34 | C33 | doub | 1.38Å | 1.41Å | Aromatic |
| C05 | C04 | sing | 1.48Å | 1.53Å | |
| C35 | C04 | doub | 1.40Å | 1.40Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| N37 | C36 | doub | 1.32Å | 1.33Å | Aromatic |
| C02 | N37 | sing | 1.32Å | 1.33Å | Aromatic |
| C05 | C34 | sing | 1.39Å | 1.42Å | Aromatic |
| C10 | C29 | sing | 1.53Å | 1.44Å | |
| C15 | N27 | sing | 1.32Å | 1.33Å | Aromatic |
| N20 | C26 | sing | 1.47Å | 1.45Å | |
| C31 | C32 | sing | 1.51Å | 1.54Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | 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 | |
| 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 | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| 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 | 119.2° | 119.6° |
| C01 | C02 | N37 | 120.7° | 119.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C02 | C03 | C04 | 119.2° | 119.0° |
| C03 | C02 | N37 | 120.1° | 120.9° |
| C02 | C03 | H031 | 120.4° | 120.5° |
| C03 | C04 | C05 | 120.6° | 120.9° |
| C03 | C04 | C35 | 119.0° | 118.2° |
| C04 | C03 | H031 | 120.4° | 120.5° |
| C05 | C06 | C07 | 124.6° | 119.9° |
| C05 | C06 | C08 | 117.2° | 120.1° |
| C06 | C05 | C04 | 120.9° | 120.2° |
| C06 | C05 | C34 | 120.6° | 119.7° |
| C07 | C06 | C08 | 118.2° | 120.0° |
| C06 | C07 | H071 | 109.5° | 109.4° |
| C06 | C07 | H072 | 109.5° | 109.5° |
| C06 | C07 | H073 | 109.5° | 109.5° |
| C06 | C08 | O09 | 115.0° | 118.4° |
| C06 | C08 | C32 | 122.8° | 119.8° |
| O09 | C10 | C11 | 78.1° | 109.9° |
| O09 | C10 | C30 | 114.6° | 108.7° |
| C10 | O09 | C08 | 105.8° | 118.1° |
| O09 | C10 | C29 | 147.7° | 109.8° |
| C11 | C12 | N13 | 114.6° | 109.5° |
| C12 | C11 | C10 | 112.7° | 109.3° |
| C12 | C11 | H111 | 108.7° | 109.5° |
| C12 | C11 | H112 | 108.7° | 109.5° |
| C11 | C12 | H121 | 108.2° | 109.5° |
| C11 | C12 | H122 | 108.2° | 109.5° |
| C12 | N13 | C14 | 109.3° | 111.0° |
| C12 | N13 | C28 | 112.9° | 111.2° |
| N13 | C12 | H121 | 108.2° | 109.5° |
| N13 | C12 | H122 | 108.2° | 109.4° |
| C14 | C15 | C16 | 119.5° | 119.6° |
| C15 | C14 | N13 | 117.9° | 109.4° |
| C14 | C15 | N27 | 121.9° | 119.6° |
| C15 | C14 | H141 | 107.3° | 109.5° |
| C15 | C14 | H142 | 107.3° | 109.4° |
| C15 | C16 | C17 | 120.1° | 119.3° |
| C16 | C15 | N27 | 118.5° | 120.8° |
| C15 | C16 | H161 | 120.0° | 120.3° |
| C16 | C17 | C18 | 118.7° | 118.5° |
| C16 | C17 | H171 | 120.6° | 120.7° |
| C17 | C16 | H161 | 119.9° | 120.3° |
| C17 | C18 | C19 | 118.4° | 119.1° |
| C18 | C17 | H171 | 120.6° | 120.8° |
| C17 | C18 | H181 | 120.8° | 120.4° |
| C18 | C19 | N20 | 121.5° | 119.7° |
| C18 | C19 | N27 | 121.0° | 120.6° |
| C19 | C18 | H181 | 120.8° | 120.5° |
| N20 | C21 | C22 | 113.0° | 109.4° |
| C21 | N20 | C19 | 119.9° | 111.0° |
| C21 | N20 | C26 | 111.6° | 110.9° |
| N20 | C21 | H211 | 108.6° | 109.5° |
| N20 | C21 | H212 | 108.6° | 109.5° |
| C21 | C22 | N23 | 110.4° | 109.4° |
| C22 | C21 | H211 | 108.6° | 109.5° |
| C22 | C21 | H212 | 108.6° | 109.5° |
| C21 | C22 | H221 | 109.2° | 109.5° |
| C21 | C22 | H222 | 109.3° | 109.5° |
| C22 | N23 | C24 | 111.7° | 111.0° |
| C22 | N23 | C25 | 114.9° | 110.9° |
| N23 | C22 | H221 | 109.2° | 109.5° |
| N23 | C22 | H222 | 109.2° | 109.5° |
| C24 | N23 | C25 | 112.9° | 111.0° |
| N23 | C24 | H241 | 109.5° | 109.4° |
| N23 | C24 | H242 | 109.5° | 109.5° |
| N23 | C24 | H243 | 109.5° | 109.5° |
| N23 | C25 | C26 | 114.3° | 109.3° |
| N23 | C25 | H251 | 108.3° | 109.5° |
| N23 | C25 | H252 | 108.2° | 109.5° |
| C25 | C26 | N20 | 110.9° | 109.4° |
| C25 | C26 | H261 | 109.1° | 109.4° |
| C25 | C26 | H262 | 109.1° | 109.4° |
| C26 | C25 | H251 | 108.2° | 109.5° |
| C26 | C25 | H252 | 108.2° | 109.5° |
| N20 | C19 | N27 | 117.5° | 119.7° |
| C19 | N20 | C26 | 123.7° | 111.0° |
| C19 | N27 | C15 | 123.2° | 121.6° |
| C14 | N13 | C28 | 115.1° | 111.0° |
| N13 | C14 | H141 | 107.3° | 109.5° |
| N13 | C14 | H142 | 107.3° | 109.4° |
| N13 | C28 | C29 | 111.3° | 109.5° |
| N13 | C28 | H281 | 109.0° | 109.5° |
| N13 | C28 | H282 | 109.0° | 109.5° |
| C28 | C29 | C10 | 97.8° | 109.3° |
| C29 | C28 | H281 | 109.0° | 109.4° |
| C29 | C28 | H282 | 109.0° | 109.4° |
| C28 | C29 | H291 | 112.3° | 109.5° |
| C28 | C29 | H292 | 112.3° | 109.6° |
| C11 | C10 | C30 | 103.9° | 109.5° |
| C11 | C10 | C29 | 114.2° | 109.4° |
| C10 | C11 | H111 | 108.7° | 109.5° |
| C10 | C11 | H112 | 108.6° | 109.5° |
| C10 | C30 | C31 | 116.3° | 108.4° |
| C30 | C10 | C29 | 92.1° | 109.4° |
| C10 | C30 | H301 | 107.7° | 109.7° |
| C10 | C30 | H302 | 107.7° | 109.7° |
| C30 | C31 | C32 | 111.1° | 109.6° |
| C31 | C30 | H301 | 107.7° | 109.7° |
| C31 | C30 | H302 | 107.7° | 109.7° |
| C30 | C31 | H311 | 109.1° | 109.5° |
| C30 | C31 | H312 | 109.1° | 109.5° |
| O09 | C08 | C32 | 122.2° | 121.8° |
| C08 | C32 | C33 | 119.6° | 120.0° |
| C08 | C32 | C31 | 119.8° | 121.4° |
| C32 | C33 | C34 | 118.4° | 120.5° |
| C33 | C32 | C31 | 120.5° | 118.6° |
| C32 | C33 | H331 | 120.8° | 119.8° |
| C33 | C34 | C05 | 121.4° | 119.8° |
| C34 | C33 | H331 | 120.8° | 119.7° |
| C33 | C34 | H341 | 119.3° | 120.1° |
| C05 | C04 | C35 | 120.4° | 120.9° |
| C04 | C05 | C34 | 118.5° | 120.1° |
| C04 | C35 | C36 | 118.6° | 119.0° |
| C04 | C35 | H351 | 120.7° | 120.5° |
| C35 | C36 | N37 | 121.1° | 120.8° |
| C36 | C35 | H351 | 120.7° | 120.5° |
| C35 | C36 | H361 | 119.5° | 119.5° |
| C36 | N37 | C02 | 122.1° | 122.0° |
| N37 | C36 | H361 | 119.4° | 119.6° |
| C05 | C34 | H341 | 119.3° | 120.1° |
| C10 | C29 | H291 | 112.3° | 109.5° |
| C10 | C29 | H292 | 112.3° | 109.5° |
| N20 | C26 | H261 | 109.1° | 109.5° |
| N20 | C26 | H262 | 109.1° | 109.6° |
| C32 | C31 | H311 | 109.1° | 109.4° |
| C32 | C31 | H312 | 109.1° | 109.4° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H241 | C24 | H243 | 109.4° | 109.5° |
| H242 | C24 | H243 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.4° | 109.4° |
| H011 | C01 | H012 | 109.5° | 109.6° |
| H011 | C01 | H013 | 109.4° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H071 | C07 | H072 | 109.4° | 109.4° |
| H071 | C07 | H073 | 109.4° | 109.5° |
| H072 | C07 | H073 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.6° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.6° |
| H291 | C29 | H292 | 109.4° | 109.6° |
| H301 | C30 | H302 | 109.5° | 109.6° |
| H311 | C31 | H312 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | N37 | 179.3° | 179.8° |
| C01 | C02 | C03 | C04 | 179.4° | 180.0° |
| C01 | C02 | N37 | C36 | 179.9° | 179.7° |
| 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 | 0.6° | 0.0° |
| C02 | C03 | C04 | H031 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 179.4° | 180.0° |
| C02 | C03 | C04 | C35 | 1.3° | 0.0° |
| C03 | C02 | N37 | C36 | 0.8° | 0.5° |
| C03 | C02 | C01 | H011 | 179.3° | 89.8° |
| C03 | C02 | C01 | H012 | 59.3° | 30.3° |
| C03 | C02 | C01 | H013 | 60.7° | 150.2° |
| C03 | C04 | C05 | C06 | 58.4° | 130.1° |
| C03 | C04 | C05 | C35 | 179.3° | 180.0° |
| C03 | C04 | C35 | C36 | 0.7° | 0.0° |
| C04 | C03 | C02 | N37 | 1.3° | 0.2° |
| C03 | C04 | C05 | C34 | 120.7° | 50.1° |
| C03 | C04 | C35 | H351 | 179.3° | 180.0° |
| C05 | C06 | C07 | C08 | 179.1° | 179.9° |
| C05 | C06 | C08 | O09 | 179.0° | 179.3° |
| C05 | C06 | C08 | C32 | 1.1° | 0.3° |
| C06 | C05 | C34 | C33 | 0.3° | 0.1° |
| C06 | C05 | C04 | C34 | 179.2° | 179.9° |
| C06 | C05 | C04 | C35 | 122.2° | 49.9° |
| C05 | C06 | C07 | H071 | 90.5° | 90.1° |
| C05 | C06 | C07 | H072 | 149.5° | 150.0° |
| C05 | C06 | C07 | H073 | 29.5° | 29.9° |
| C06 | C05 | C34 | H341 | 179.7° | 179.9° |
| C07 | C06 | C08 | O09 | 1.8° | 0.6° |
| C07 | C06 | C08 | C32 | 179.7° | 179.8° |
| C07 | C06 | C05 | C04 | 0.9° | 0.1° |
| C07 | C06 | C05 | C34 | 180.0° | 180.0° |
| C06 | C07 | H071 | H072 | 120.0° | 120.0° |
| C06 | C07 | H071 | H073 | 120.0° | 120.0° |
| C06 | C07 | H072 | H073 | 120.0° | 120.1° |
| C06 | C08 | O09 | C10 | 138.1° | 163.7° |
| C06 | C08 | O09 | C32 | 178.0° | 179.6° |
| C06 | C08 | C32 | C33 | 0.8° | 0.4° |
| C08 | C06 | C05 | C04 | 179.9° | 180.0° |
| C08 | C06 | C05 | C34 | 0.8° | 0.1° |
| C06 | C08 | C32 | C31 | 179.6° | 179.7° |
| C08 | C06 | C07 | H071 | 90.4° | 90.0° |
| C08 | C06 | C07 | H072 | 29.6° | 29.9° |
| C08 | C06 | C07 | H073 | 149.6° | 150.0° |
| O09 | C10 | C11 | C12 | 96.3° | 63.3° |
| O09 | C10 | C29 | C28 | 36.6° | 63.3° |
| O09 | C10 | C11 | C30 | 112.7° | 119.4° |
| O09 | C10 | C11 | C29 | 148.5° | 120.6° |
| O09 | C10 | C30 | C29 | 161.3° | 119.9° |
| O09 | C10 | C30 | C31 | 40.8° | 64.2° |
| C10 | O09 | C08 | C32 | 43.9° | 16.7° |
| O09 | C10 | C11 | H111 | 143.3° | 56.6° |
| O09 | C10 | C11 | H112 | 24.2° | 176.8° |
| O09 | C10 | C29 | H291 | 81.5° | 176.8° |
| O09 | C10 | C29 | H292 | 154.7° | 56.6° |
| O09 | C10 | C30 | H301 | 161.7° | 55.5° |
| O09 | C10 | C30 | H302 | 80.2° | 176.0° |
| C11 | C12 | N13 | H121 | 120.7° | 120.0° |
| C11 | C12 | N13 | H122 | 120.8° | 120.0° |
| C11 | C12 | N13 | C14 | 162.5° | 174.1° |
| C11 | C12 | N13 | C28 | 32.9° | 61.8° |
| C12 | C11 | C10 | H111 | 120.5° | 119.9° |
| C12 | C11 | C10 | H112 | 120.5° | 120.0° |
| C12 | C11 | C10 | C30 | 151.0° | 177.3° |
| C12 | C11 | C10 | C29 | 52.3° | 57.3° |
| C12 | C11 | H111 | H112 | 118.5° | 120.1° |
| C11 | C12 | H121 | H122 | 117.7° | 120.0° |
| C12 | N13 | C14 | C15 | 165.7° | 65.9° |
| C12 | N13 | C14 | C28 | 128.4° | 124.1° |
| C12 | N13 | C28 | C29 | 57.8° | 61.9° |
| N13 | C12 | C11 | C10 | 28.8° | 59.0° |
| C12 | N13 | C28 | H281 | 62.5° | 178.1° |
| C12 | N13 | C28 | H282 | 178.1° | 58.1° |
| N13 | C12 | C11 | H111 | 91.7° | 178.9° |
| N13 | C12 | C11 | H112 | 149.2° | 61.0° |
| N13 | C12 | H121 | H122 | 117.7° | 119.9° |
| C12 | N13 | C14 | H141 | 73.0° | 54.2° |
| C12 | N13 | C14 | H142 | 44.6° | 174.2° |
| C14 | C15 | C16 | N27 | 179.5° | 179.7° |
| C14 | C15 | C16 | C17 | 179.7° | 180.0° |
| C14 | C15 | N27 | C19 | 179.9° | 180.0° |
| C15 | C14 | N13 | H141 | 121.2° | 120.0° |
| C15 | C14 | N13 | H142 | 121.2° | 119.9° |
| C15 | C14 | N13 | C28 | 37.4° | 170.0° |
| C15 | C14 | H141 | H142 | 116.2° | 120.0° |
| C14 | C15 | C16 | H161 | 0.3° | 0.1° |
| C15 | C16 | C17 | H161 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.5° | 0.0° |
| C16 | C15 | N27 | C19 | 0.6° | 0.3° |
| C16 | C15 | C14 | N13 | 140.2° | 95.2° |
| C15 | C16 | C17 | H171 | 179.5° | 180.0° |
| C16 | C15 | C14 | H141 | 98.6° | 144.7° |
| C16 | C15 | C14 | H142 | 19.0° | 24.7° |
| C16 | C17 | C18 | H171 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.2° |
| C17 | C16 | C15 | N27 | 0.8° | 0.3° |
| C16 | C17 | C18 | H181 | 179.9° | 179.9° |
| C17 | C18 | C19 | H181 | 180.0° | 179.9° |
| C17 | C18 | C19 | N20 | 179.5° | 180.0° |
| C17 | C18 | C19 | N27 | 0.3° | 0.2° |
| C18 | C17 | C16 | H161 | 179.5° | 180.0° |
| C18 | C19 | N20 | C21 | 175.3° | 180.0° |
| C18 | C19 | N20 | N27 | 179.2° | 179.8° |
| C18 | C19 | N27 | C15 | 0.0° | 0.0° |
| C18 | C19 | N20 | C26 | 31.2° | 56.1° |
| C19 | C18 | C17 | H171 | 179.9° | 179.8° |
| N20 | C21 | C22 | H211 | 120.5° | 120.0° |
| N20 | C21 | C22 | H212 | 120.5° | 120.0° |
| N20 | C21 | C22 | N23 | 53.2° | 58.4° |
| C21 | N20 | C26 | C25 | 48.5° | 59.3° |
| C21 | N20 | C19 | C26 | 153.5° | 123.8° |
| C21 | N20 | C19 | N27 | 3.9° | 0.2° |
| N20 | C21 | H211 | H212 | 118.4° | 120.0° |
| N20 | C21 | C22 | H221 | 173.3° | 178.4° |
| N20 | C21 | C22 | H222 | 67.0° | 61.6° |
| C21 | N20 | C26 | H261 | 71.7° | 60.6° |
| C21 | N20 | C26 | H262 | 168.7° | 179.3° |
| C21 | C22 | N23 | H221 | 120.1° | 120.0° |
| C21 | C22 | N23 | H222 | 120.2° | 120.0° |
| C21 | C22 | N23 | C24 | 176.2° | 176.8° |
| C21 | C22 | N23 | C25 | 53.6° | 59.3° |
| C22 | C21 | N20 | C19 | 151.6° | 176.8° |
| C22 | C21 | N20 | C26 | 51.9° | 59.3° |
| C22 | C21 | H211 | H212 | 118.4° | 120.1° |
| C21 | C22 | H221 | H222 | 119.6° | 120.0° |
| C22 | N23 | C24 | C25 | 131.3° | 123.8° |
| C22 | N23 | C25 | C26 | 53.1° | 59.3° |
| N23 | C22 | C21 | H211 | 67.3° | 178.4° |
| N23 | C22 | C21 | H212 | 173.7° | 61.6° |
| N23 | C22 | H221 | H222 | 119.6° | 120.1° |
| C22 | N23 | C24 | H241 | 180.0° | 176.2° |
| C22 | N23 | C24 | H242 | 60.0° | 56.3° |
| C22 | N23 | C24 | H243 | 60.0° | 63.8° |
| C22 | N23 | C25 | H251 | 173.8° | 60.6° |
| C22 | N23 | C25 | H252 | 67.6° | 179.3° |
| C24 | N23 | C25 | C26 | 177.2° | 176.9° |
| C24 | N23 | C22 | H221 | 56.1° | 56.8° |
| C24 | N23 | C22 | H222 | 63.6° | 63.2° |
| N23 | C24 | H241 | H242 | 120.0° | 119.9° |
| N23 | C24 | H241 | H243 | 120.0° | 120.0° |
| N23 | C24 | H242 | H243 | 120.0° | 120.0° |
| C24 | N23 | C25 | H251 | 56.5° | 63.2° |
| C24 | N23 | C25 | H252 | 62.1° | 56.9° |
| N23 | C25 | C26 | H251 | 120.7° | 119.9° |
| N23 | C25 | C26 | H252 | 120.7° | 120.0° |
| N23 | C25 | C26 | N20 | 49.1° | 58.4° |
| C25 | N23 | C22 | H221 | 173.7° | 179.3° |
| C25 | N23 | C22 | H222 | 66.6° | 60.6° |
| C25 | N23 | C24 | H241 | 48.7° | 60.0° |
| C25 | N23 | C24 | H242 | 168.7° | 179.9° |
| C25 | N23 | C24 | H243 | 71.3° | 60.0° |
| N23 | C25 | C26 | H261 | 71.1° | 61.6° |
| N23 | C25 | C26 | H262 | 169.4° | 178.4° |
| N23 | C25 | H251 | H252 | 117.8° | 120.0° |
| C25 | C26 | N20 | C19 | 156.1° | 176.8° |
| C25 | C26 | N20 | H261 | 120.2° | 119.9° |
| C25 | C26 | N20 | H262 | 120.2° | 120.0° |
| C25 | C26 | H261 | H262 | 119.4° | 120.0° |
| C26 | C25 | H251 | H252 | 117.8° | 120.1° |
| N20 | C19 | N27 | C15 | 179.2° | 179.8° |
| C19 | N20 | C21 | H211 | 87.9° | 56.8° |
| C19 | N20 | C21 | H212 | 31.0° | 63.2° |
| C19 | N20 | C26 | H261 | 83.7° | 63.3° |
| C19 | N20 | C26 | H262 | 35.9° | 56.8° |
| N20 | C19 | C18 | H181 | 0.5° | 0.1° |
| N27 | C19 | N20 | C26 | 149.6° | 124.0° |
| N27 | C19 | C18 | H181 | 179.7° | 179.9° |
| C14 | N13 | C28 | C29 | 175.7° | 174.1° |
| N13 | C14 | C15 | N27 | 40.3° | 85.0° |
| C14 | N13 | C28 | H281 | 64.0° | 54.1° |
| C14 | N13 | C28 | H282 | 55.4° | 65.9° |
| C14 | N13 | C12 | H121 | 41.8° | 65.8° |
| C14 | N13 | C12 | H122 | 76.7° | 54.1° |
| N13 | C14 | H141 | H142 | 116.2° | 120.0° |
| N13 | C28 | C29 | H281 | 120.3° | 120.0° |
| N13 | C28 | C29 | H282 | 120.3° | 120.1° |
| N13 | C28 | C29 | C10 | 73.0° | 59.1° |
| N13 | C28 | H281 | H282 | 119.2° | 120.1° |
| C28 | N13 | C12 | H121 | 87.8° | 58.2° |
| C28 | N13 | C12 | H122 | 153.7° | 178.1° |
| C28 | N13 | C14 | H141 | 158.6° | 70.0° |
| C28 | N13 | C14 | H142 | 83.8° | 50.1° |
| N13 | C28 | C29 | H291 | 168.9° | 60.8° |
| N13 | C28 | C29 | H292 | 45.0° | 179.0° |
| C28 | C29 | C10 | C11 | 70.2° | 57.4° |
| C28 | C29 | C10 | C30 | 176.4° | 177.4° |
| C28 | C29 | C10 | H291 | 118.1° | 119.9° |
| C28 | C29 | C10 | H292 | 118.0° | 120.0° |
| C29 | C28 | H281 | H282 | 119.2° | 119.9° |
| C28 | C29 | H291 | H292 | 125.5° | 120.2° |
| C11 | C10 | C30 | C29 | 115.6° | 120.0° |
| C11 | C10 | C30 | C31 | 123.8° | 55.9° |
| C11 | C10 | O09 | C08 | 161.9° | 71.5° |
| C10 | C11 | H111 | H112 | 118.5° | 120.1° |
| C10 | C11 | C12 | H121 | 91.9° | 61.1° |
| C10 | C11 | C12 | H122 | 149.6° | 178.9° |
| C11 | C10 | C29 | H291 | 171.7° | 62.5° |
| C11 | C10 | C29 | H292 | 47.9° | 177.4° |
| C11 | C10 | C30 | H301 | 115.2° | 175.6° |
| C11 | C10 | C30 | H302 | 2.8° | 63.9° |
| C10 | C30 | C31 | H301 | 121.0° | 119.8° |
| C10 | C30 | C31 | H302 | 121.0° | 119.8° |
| C30 | C10 | O09 | C08 | 62.0° | 48.4° |
| C10 | C30 | C31 | C32 | 3.1° | 48.3° |
| C30 | C10 | C11 | H111 | 30.6° | 62.8° |
| C30 | C10 | C11 | H112 | 88.5° | 57.4° |
| C30 | C10 | C29 | H291 | 65.5° | 57.5° |
| C30 | C10 | C29 | H292 | 58.4° | 62.6° |
| C10 | C30 | H301 | H302 | 116.9° | 120.6° |
| C10 | C30 | C31 | H311 | 123.4° | 168.4° |
| C10 | C30 | C31 | H312 | 117.1° | 71.7° |
| C30 | C31 | C32 | C08 | 21.7° | 18.3° |
| C30 | C31 | C32 | C33 | 157.9° | 161.6° |
| C31 | C30 | C10 | C29 | 120.6° | 175.8° |
| C30 | C31 | C32 | H311 | 120.3° | 120.1° |
| C30 | C31 | C32 | H312 | 120.3° | 120.0° |
| C31 | C30 | H301 | H302 | 116.8° | 120.5° |
| C30 | C31 | H311 | H312 | 119.3° | 120.0° |
| O09 | C08 | C32 | C33 | 178.6° | 179.2° |
| C08 | O09 | C10 | C29 | 81.2° | 168.1° |
| O09 | C08 | C32 | C31 | 1.8° | 0.7° |
| C08 | C32 | C33 | C31 | 179.6° | 179.9° |
| C08 | C32 | C33 | C34 | 0.3° | 0.2° |
| C08 | C32 | C31 | H311 | 142.0° | 138.4° |
| C08 | C32 | C31 | H312 | 98.5° | 101.7° |
| C08 | C32 | C33 | H331 | 179.7° | 179.8° |
| C32 | C33 | C34 | H331 | 180.0° | 180.0° |
| C32 | C33 | C34 | C05 | 0.0° | 0.0° |
| C33 | C32 | C31 | H311 | 37.6° | 41.5° |
| C33 | C32 | C31 | H312 | 81.9° | 78.4° |
| C32 | C33 | C34 | H341 | 180.0° | 179.9° |
| C33 | C34 | C05 | C04 | 179.5° | 179.8° |
| C33 | C34 | C05 | H341 | 180.0° | 179.9° |
| C34 | C33 | C32 | C31 | 179.9° | 179.8° |
| C05 | C04 | C35 | C36 | 179.9° | 180.0° |
| C05 | C04 | C03 | H031 | 0.6° | 0.1° |
| C04 | C05 | C34 | H341 | 0.6° | 0.3° |
| C05 | C04 | C35 | H351 | 0.1° | 0.1° |
| C04 | C35 | C36 | H351 | 180.0° | 180.0° |
| C04 | C35 | C36 | N37 | 0.2° | 0.3° |
| C35 | C04 | C05 | C34 | 58.6° | 130.0° |
| C35 | C04 | C03 | H031 | 178.7° | 180.0° |
| C04 | C35 | C36 | H361 | 179.8° | 180.0° |
| C35 | C36 | N37 | H361 | 180.0° | 179.7° |
| C35 | C36 | N37 | C02 | 0.2° | 0.5° |
| N37 | C36 | C35 | H351 | 179.8° | 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 | 178.7° | 179.8° |
| C02 | N37 | C36 | H361 | 179.8° | 179.7° |
| C05 | C34 | C33 | H331 | 180.0° | 180.0° |
| C10 | C29 | C28 | H281 | 47.3° | 179.1° |
| C10 | C29 | C28 | H282 | 166.7° | 61.0° |
| C29 | C10 | C11 | H111 | 68.2° | 177.2° |
| C29 | C10 | C11 | H112 | 172.7° | 62.6° |
| C10 | C29 | H291 | H292 | 125.5° | 120.1° |
| C29 | C10 | C30 | H301 | 0.4° | 64.4° |
| C29 | C10 | C30 | H302 | 118.4° | 56.1° |
| N27 | C15 | C14 | H141 | 80.9° | 35.0° |
| N27 | C15 | C14 | H142 | 161.5° | 155.1° |
| N27 | C15 | C16 | H161 | 179.2° | 179.8° |
| C26 | N20 | C21 | H211 | 68.6° | 179.3° |
| C26 | N20 | C21 | H212 | 172.5° | 60.7° |
| N20 | C26 | H261 | H262 | 119.3° | 120.2° |
| N20 | C26 | C25 | H251 | 169.9° | 61.5° |
| N20 | C26 | C25 | H252 | 71.6° | 178.3° |
| C32 | C31 | C30 | H301 | 117.9° | 71.5° |
| C32 | C31 | C30 | H302 | 124.1° | 168.1° |
| C32 | C31 | H311 | H312 | 119.2° | 119.9° |
| C31 | C32 | C33 | H331 | 0.1° | 0.2° |
| H171 | C17 | C16 | H161 | 0.5° | 0.0° |
| H171 | C17 | C18 | H181 | 0.1° | 0.0° |
| H211 | C21 | C22 | H221 | 52.8° | 61.6° |
| H211 | C21 | C22 | H222 | 172.5° | 58.4° |
| H212 | C21 | C22 | H221 | 66.2° | 58.4° |
| H212 | C21 | C22 | H222 | 53.6° | 178.4° |
| H241 | C24 | H242 | H243 | 120.0° | 120.1° |
| H261 | C26 | C25 | H251 | 49.7° | 178.5° |
| H261 | C26 | C25 | H252 | 168.2° | 58.4° |
| H262 | C26 | C25 | H251 | 69.9° | 58.5° |
| H262 | C26 | C25 | H252 | 48.7° | 61.6° |
| H281 | C28 | C29 | H291 | 70.8° | 59.2° |
| H281 | C28 | C29 | H292 | 165.3° | 61.0° |
| H282 | C28 | C29 | H291 | 48.6° | 179.1° |
| H282 | C28 | C29 | H292 | 75.3° | 58.9° |
| H011 | C01 | H012 | H013 | 120.0° | 120.1° |
| H071 | C07 | H072 | H073 | 119.9° | 120.0° |
| H111 | C11 | C12 | H121 | 147.6° | 58.9° |
| H111 | C11 | C12 | H122 | 29.1° | 61.2° |
| H112 | C11 | C12 | H121 | 28.5° | 179.0° |
| H112 | C11 | C12 | H122 | 90.0° | 58.9° |
| H301 | C30 | C31 | H311 | 2.4° | 48.6° |
| H301 | C30 | C31 | H312 | 121.9° | 168.5° |
| H302 | C30 | C31 | H311 | 115.6° | 71.9° |
| H302 | C30 | C31 | H312 | 3.9° | 48.1° |
| H331 | C33 | C34 | H341 | 0.0° | 0.1° |
| H351 | C35 | C36 | H361 | 0.2° | 0.0° |
