A1AVE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | doub | 1.32Å | 1.46Å | Aromatic |
| C01 | N06 | sing | 1.32Å | 1.49Å | Aromatic |
| C03 | N02 | sing | 1.33Å | 1.42Å | Aromatic |
| C04 | C03 | doub | 1.41Å | 1.50Å | Aromatic |
| C03 | N23 | sing | 1.39Å | 1.47Å | |
| N05 | C04 | sing | 1.32Å | 1.43Å | Aromatic |
| C04 | O07 | sing | 1.36Å | 1.39Å | |
| N06 | N05 | doub | 1.29Å | 1.43Å | Aromatic |
| O07 | C08 | sing | 1.36Å | 1.41Å | |
| C08 | C09 | doub | 1.40Å | 1.53Å | Aromatic |
| C08 | C13 | sing | 1.39Å | 1.52Å | Aromatic |
| C09 | C10 | sing | 1.40Å | 1.52Å | Aromatic |
| C09 | C15 | sing | 1.48Å | 1.54Å | |
| C10 | C11 | doub | 1.38Å | 1.54Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.53Å | Aromatic |
| C11 | F14 | sing | 1.35Å | 1.34Å | |
| C12 | C13 | doub | 1.38Å | 1.53Å | Aromatic |
| C15 | N16 | sing | 1.35Å | 1.48Å | |
| C15 | O17 | doub | 1.22Å | 1.19Å | |
| N16 | C18 | sing | 1.46Å | 1.50Å | |
| N16 | C19 | sing | 1.46Å | 1.49Å | |
| C18 | C20 | sing | 1.53Å | 1.55Å | |
| C18 | C21 | sing | 1.53Å | 1.55Å | |
| C19 | C22 | sing | 1.53Å | 1.55Å | |
| N23 | C24 | sing | 1.48Å | 1.50Å | |
| C26 | N23 | sing | 1.48Å | 1.51Å | |
| C24 | C25 | sing | 1.53Å | 1.49Å | |
| C25 | C26 | sing | 1.53Å | 1.49Å | |
| C25 | C27 | sing | 1.53Å | 1.44Å | |
| C31 | C25 | sing | 1.53Å | 1.45Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C28 | N29 | sing | 1.47Å | 1.46Å | |
| N29 | C30 | sing | 1.47Å | 1.45Å | |
| N29 | C32 | sing | 1.47Å | 1.24Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| C32 | C33 | sing | 1.53Å | 1.58Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C33 | C35 | sing | 1.53Å | 1.54Å | |
| C33 | C36 | sing | 1.53Å | 1.54Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N02 | C01 | N06 | 119.7° | 121.1° |
| C01 | N02 | C03 | 118.1° | 119.4° |
| N02 | C01 | H011 | 120.1° | 119.4° |
| C01 | N06 | N05 | 122.4° | 121.7° |
| N06 | C01 | H011 | 120.2° | 119.4° |
| N02 | C03 | C04 | 121.1° | 118.4° |
| N02 | C03 | N23 | 118.8° | 120.8° |
| C04 | C03 | N23 | 120.0° | 120.8° |
| C03 | C04 | N05 | 121.4° | 118.9° |
| C03 | C04 | O07 | 116.6° | 120.5° |
| C03 | N23 | C24 | 129.9° | 111.0° |
| C03 | N23 | C26 | 135.5° | 111.0° |
| N05 | C04 | O07 | 122.0° | 120.6° |
| C04 | N05 | N06 | 117.3° | 120.5° |
| C04 | O07 | C08 | 115.8° | 118.0° |
| O07 | C08 | C09 | 115.9° | 120.1° |
| O07 | C08 | C13 | 121.6° | 120.1° |
| C09 | C08 | C13 | 122.4° | 119.7° |
| C08 | C09 | C10 | 119.9° | 119.7° |
| C08 | C09 | C15 | 117.0° | 120.2° |
| C08 | C13 | C12 | 118.6° | 120.1° |
| C08 | C13 | H131 | 120.7° | 119.9° |
| C10 | C09 | C15 | 123.1° | 120.2° |
| C09 | C10 | C11 | 117.4° | 119.8° |
| C09 | C10 | H101 | 121.3° | 120.1° |
| C09 | C15 | N16 | 120.3° | 120.0° |
| C09 | C15 | O17 | 118.3° | 120.0° |
| C10 | C11 | C12 | 123.1° | 120.3° |
| C10 | C11 | F14 | 118.9° | 119.9° |
| C11 | C10 | H101 | 121.3° | 120.1° |
| C12 | C11 | F14 | 118.0° | 119.9° |
| C11 | C12 | C13 | 118.6° | 120.3° |
| C11 | C12 | H121 | 120.7° | 119.8° |
| C12 | C13 | H131 | 120.7° | 120.0° |
| C13 | C12 | H121 | 120.7° | 119.8° |
| N16 | C15 | O17 | 121.4° | 120.1° |
| C15 | N16 | C18 | 118.5° | 120.0° |
| C15 | N16 | C19 | 119.5° | 120.0° |
| C18 | N16 | C19 | 121.9° | 120.0° |
| N16 | C18 | C20 | 107.7° | 109.5° |
| N16 | C18 | C21 | 112.5° | 109.5° |
| N16 | C18 | H181 | 109.7° | 109.5° |
| N16 | C19 | C22 | 111.6° | 109.5° |
| N16 | C19 | H192 | 108.9° | 109.5° |
| N16 | C19 | H191 | 108.9° | 109.4° |
| C20 | C18 | C21 | 108.8° | 109.5° |
| C20 | C18 | H181 | 109.1° | 109.4° |
| C18 | C20 | H203 | 109.5° | 109.4° |
| C18 | C20 | H202 | 109.5° | 109.5° |
| C18 | C20 | H201 | 109.5° | 109.4° |
| C21 | C18 | H181 | 109.0° | 109.5° |
| C18 | C21 | H213 | 109.5° | 109.4° |
| C18 | C21 | H211 | 109.5° | 109.5° |
| C18 | C21 | H212 | 109.5° | 109.5° |
| C19 | C22 | H223 | 109.5° | 109.5° |
| C19 | C22 | H221 | 109.5° | 109.5° |
| C19 | C22 | H222 | 109.5° | 109.5° |
| C22 | C19 | H192 | 108.9° | 109.5° |
| C22 | C19 | H191 | 108.9° | 109.5° |
| C24 | N23 | C26 | 89.6° | 90.8° |
| N23 | C24 | C25 | 90.1° | 86.1° |
| N23 | C24 | H241 | 114.0° | 113.8° |
| N23 | C24 | H242 | 114.1° | 113.9° |
| N23 | C26 | C25 | 89.8° | 86.0° |
| N23 | C26 | H262 | 114.1° | 113.8° |
| N23 | C26 | H261 | 114.1° | 113.8° |
| C24 | C25 | C26 | 90.4° | 86.8° |
| C24 | C25 | C27 | 115.0° | 113.7° |
| C24 | C25 | C31 | 121.1° | 113.7° |
| C25 | C24 | H241 | 114.0° | 113.8° |
| C25 | C24 | H242 | 114.1° | 113.8° |
| C26 | C25 | C27 | 100.1° | 113.7° |
| C26 | C25 | C31 | 114.8° | 113.7° |
| C25 | C26 | H262 | 114.2° | 113.8° |
| C25 | C26 | H261 | 114.1° | 113.8° |
| C27 | C25 | C31 | 111.6° | 112.8° |
| C25 | C27 | C28 | 108.5° | 109.0° |
| C25 | C27 | H271 | 109.7° | 109.5° |
| C25 | C27 | H272 | 109.7° | 109.6° |
| C25 | C31 | C30 | 108.5° | 109.0° |
| C25 | C31 | H312 | 109.7° | 109.6° |
| C25 | C31 | H311 | 109.7° | 109.5° |
| C27 | C28 | N29 | 114.6° | 109.5° |
| C28 | C27 | H271 | 109.7° | 109.5° |
| C28 | C27 | H272 | 109.7° | 109.6° |
| C27 | C28 | H281 | 108.2° | 109.5° |
| C27 | C28 | H282 | 108.2° | 109.5° |
| C28 | N29 | C30 | 112.3° | 111.4° |
| C28 | N29 | C32 | 110.7° | 111.0° |
| N29 | C28 | H281 | 108.2° | 109.5° |
| N29 | C28 | H282 | 108.2° | 109.4° |
| C30 | N29 | C32 | 107.9° | 111.0° |
| N29 | C30 | C31 | 113.4° | 109.4° |
| N29 | C30 | H301 | 108.5° | 109.4° |
| N29 | C30 | H302 | 108.5° | 109.5° |
| N29 | C32 | C33 | 114.4° | 109.5° |
| N29 | C32 | H321 | 108.2° | 109.4° |
| N29 | C32 | H322 | 108.2° | 109.4° |
| C31 | C30 | H301 | 108.5° | 109.4° |
| C31 | C30 | H302 | 108.5° | 109.5° |
| C30 | C31 | H312 | 109.7° | 109.6° |
| C30 | C31 | H311 | 109.7° | 109.5° |
| C32 | C33 | C34 | 120.3° | 115.6° |
| C32 | C33 | C35 | 114.4° | 117.5° |
| C32 | C33 | C36 | 117.9° | 117.5° |
| C33 | C32 | H321 | 108.2° | 109.5° |
| C33 | C32 | H322 | 108.2° | 109.5° |
| C34 | C33 | C35 | 114.5° | 117.5° |
| C34 | C33 | C36 | 115.3° | 117.5° |
| C33 | C34 | H343 | 109.5° | 109.5° |
| C33 | C34 | H341 | 109.5° | 109.5° |
| C33 | C34 | H342 | 109.5° | 109.5° |
| C35 | C33 | C36 | 59.7° | 60.0° |
| C33 | C35 | C36 | 60.3° | 60.0° |
| C33 | C35 | H352 | 119.9° | 117.5° |
| C33 | C35 | H351 | 120.0° | 117.5° |
| C33 | C36 | C35 | 60.0° | 60.0° |
| C33 | C36 | H361 | 120.0° | 117.5° |
| C33 | C36 | H362 | 120.0° | 117.5° |
| C36 | C35 | H352 | 120.0° | 117.5° |
| C36 | C35 | H351 | 120.0° | 117.5° |
| C35 | C36 | H361 | 120.0° | 117.5° |
| C35 | C36 | H362 | 120.0° | 117.5° |
| H223 | C22 | H221 | 109.5° | 109.5° |
| H223 | C22 | H222 | 109.4° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H203 | C20 | H202 | 109.4° | 109.5° |
| H203 | C20 | H201 | 109.5° | 109.5° |
| H202 | C20 | H201 | 109.5° | 109.4° |
| H213 | C21 | H211 | 109.4° | 109.5° |
| H213 | C21 | H212 | 109.4° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 112.9° |
| H262 | C26 | H261 | 109.5° | 113.0° |
| H271 | C27 | H272 | 109.5° | 109.6° |
| H281 | C28 | H282 | 109.5° | 109.4° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H312 | C31 | H311 | 109.4° | 109.6° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H343 | C34 | H341 | 109.4° | 109.5° |
| H343 | C34 | H342 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.5° | 109.4° |
| H352 | C35 | H351 | 109.5° | 115.6° |
| H361 | C36 | H362 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N02 | C01 | N06 | H011 | 180.0° | 179.7° |
| C01 | N02 | C03 | C04 | 1.0° | 0.0° |
| C01 | N02 | C03 | N23 | 179.8° | 180.0° |
| N02 | C01 | N06 | N05 | 0.4° | 0.0° |
| N06 | C01 | N02 | C03 | 0.7° | 0.0° |
| C01 | N06 | N05 | C04 | 0.4° | 0.1° |
| N02 | C03 | C04 | N23 | 179.2° | 180.0° |
| N02 | C03 | C04 | N05 | 1.2° | 0.0° |
| N02 | C03 | C04 | O07 | 179.5° | 180.0° |
| N02 | C03 | N23 | C24 | 15.6° | 99.5° |
| N02 | C03 | N23 | C26 | 162.7° | 0.0° |
| C03 | N02 | C01 | H011 | 179.4° | 179.7° |
| C03 | C04 | N05 | O07 | 178.3° | 180.0° |
| C03 | C04 | N05 | N06 | 0.8° | 0.1° |
| C03 | C04 | O07 | C08 | 169.4° | 176.5° |
| C04 | C03 | N23 | C24 | 165.2° | 80.5° |
| C04 | C03 | N23 | C26 | 18.2° | 180.0° |
| N23 | C03 | C04 | N05 | 179.7° | 180.0° |
| N23 | C03 | C04 | O07 | 1.3° | 0.0° |
| C03 | N23 | C24 | C26 | 157.6° | 113.0° |
| C03 | N23 | C24 | C25 | 159.6° | 137.3° |
| C03 | N23 | C26 | C25 | 157.4° | 137.3° |
| C03 | N23 | C24 | H241 | 83.8° | 23.0° |
| C03 | N23 | C24 | H242 | 43.0° | 108.4° |
| C03 | N23 | C26 | H262 | 40.8° | 108.4° |
| C03 | N23 | C26 | H261 | 86.1° | 23.0° |
| N05 | C04 | O07 | C08 | 12.3° | 3.5° |
| O07 | C04 | N05 | N06 | 179.1° | 180.0° |
| C04 | O07 | C08 | C09 | 107.8° | 85.9° |
| C04 | O07 | C08 | C13 | 75.0° | 94.6° |
| N05 | N06 | C01 | H011 | 179.6° | 179.7° |
| O07 | C08 | C09 | C13 | 177.2° | 179.5° |
| O07 | C08 | C09 | C10 | 177.8° | 180.0° |
| O07 | C08 | C09 | C15 | 1.2° | 0.5° |
| O07 | C08 | C13 | C12 | 178.1° | 180.0° |
| O07 | C08 | C13 | H131 | 1.9° | 0.3° |
| C08 | C09 | C10 | C15 | 179.0° | 179.5° |
| C08 | C09 | C10 | C11 | 0.2° | 0.2° |
| C09 | C08 | C13 | C12 | 1.1° | 0.5° |
| C08 | C09 | C15 | N16 | 84.0° | 124.6° |
| C08 | C09 | C15 | O17 | 93.8° | 55.3° |
| C09 | C08 | C13 | H131 | 178.9° | 179.8° |
| C08 | C09 | C10 | H101 | 179.8° | 179.7° |
| C13 | C08 | C09 | C10 | 0.7° | 0.5° |
| C13 | C08 | C09 | C15 | 178.4° | 180.0° |
| C08 | C13 | C12 | C11 | 0.7° | 0.3° |
| C08 | C13 | C12 | H131 | 180.0° | 179.7° |
| C08 | C13 | C12 | H121 | 179.3° | 179.8° |
| C09 | C10 | C11 | H101 | 180.0° | 179.9° |
| C09 | C10 | C11 | C12 | 0.6° | 0.0° |
| C09 | C10 | C11 | F14 | 179.9° | 180.0° |
| C10 | C09 | C15 | N16 | 97.0° | 54.9° |
| C10 | C09 | C15 | O17 | 85.2° | 125.1° |
| C15 | C09 | C10 | C11 | 179.2° | 179.7° |
| C09 | C15 | N16 | O17 | 177.7° | 180.0° |
| C09 | C15 | N16 | C18 | 2.8° | 3.8° |
| C09 | C15 | N16 | C19 | 179.9° | 176.2° |
| C15 | C09 | C10 | H101 | 0.8° | 0.2° |
| C10 | C11 | C12 | F14 | 179.5° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.0° |
| C10 | C11 | C12 | H121 | 179.9° | 180.0° |
| C11 | C12 | C13 | H121 | 180.0° | 179.9° |
| C11 | C12 | C13 | H131 | 179.3° | 180.0° |
| C12 | C11 | C10 | H101 | 179.4° | 180.0° |
| F14 | C11 | C12 | C13 | 179.7° | 180.0° |
| F14 | C11 | C12 | H121 | 0.3° | 0.0° |
| F14 | C11 | C10 | H101 | 0.1° | 0.0° |
| C15 | N16 | C18 | C19 | 177.1° | 180.0° |
| C15 | N16 | C18 | C20 | 103.7° | 120.0° |
| C15 | N16 | C18 | C21 | 136.4° | 120.0° |
| C15 | N16 | C19 | C22 | 67.0° | 84.8° |
| C15 | N16 | C18 | H181 | 14.9° | 0.0° |
| C15 | N16 | C19 | H192 | 53.3° | 35.2° |
| C15 | N16 | C19 | H191 | 172.7° | 155.2° |
| O17 | C15 | N16 | C18 | 179.5° | 176.2° |
| O17 | C15 | N16 | C19 | 2.4° | 3.7° |
| N16 | C18 | C20 | C21 | 122.2° | 120.0° |
| N16 | C18 | C20 | H181 | 119.0° | 120.0° |
| N16 | C18 | C21 | H181 | 121.9° | 120.0° |
| C18 | N16 | C19 | C22 | 115.9° | 95.1° |
| C18 | N16 | C19 | H192 | 123.7° | 144.8° |
| C18 | N16 | C19 | H191 | 4.4° | 24.8° |
| N16 | C18 | C20 | H203 | 180.0° | 180.0° |
| N16 | C18 | C20 | H202 | 60.0° | 59.9° |
| N16 | C18 | C20 | H201 | 60.0° | 60.0° |
| N16 | C18 | C21 | H213 | 180.0° | 60.0° |
| N16 | C18 | C21 | H211 | 60.0° | 60.0° |
| N16 | C18 | C21 | H212 | 60.0° | 180.0° |
| C19 | N16 | C18 | C20 | 73.4° | 60.0° |
| C19 | N16 | C18 | C21 | 46.5° | 60.0° |
| N16 | C19 | C22 | H192 | 120.3° | 120.0° |
| N16 | C19 | C22 | H191 | 120.3° | 120.0° |
| C19 | N16 | C18 | H181 | 168.1° | 180.0° |
| N16 | C19 | C22 | H223 | 180.0° | 180.0° |
| N16 | C19 | C22 | H221 | 60.0° | 60.0° |
| N16 | C19 | C22 | H222 | 60.0° | 60.0° |
| N16 | C19 | H192 | H191 | 119.0° | 120.0° |
| C20 | C18 | C21 | H181 | 118.8° | 120.0° |
| C18 | C20 | H203 | H202 | 120.0° | 120.0° |
| C18 | C20 | H203 | H201 | 120.0° | 120.0° |
| C18 | C20 | H202 | H201 | 120.0° | 120.0° |
| C20 | C18 | C21 | H213 | 60.7° | 60.0° |
| C20 | C18 | C21 | H211 | 179.3° | 180.0° |
| C20 | C18 | C21 | H212 | 59.2° | 59.9° |
| C21 | C18 | C20 | H203 | 57.7° | 60.0° |
| C21 | C18 | C20 | H202 | 62.2° | 180.0° |
| C21 | C18 | C20 | H201 | 177.8° | 60.0° |
| C18 | C21 | H213 | H211 | 120.0° | 120.0° |
| C18 | C21 | H213 | H212 | 120.0° | 120.0° |
| C18 | C21 | H211 | H212 | 120.0° | 120.0° |
| C19 | C22 | H223 | H221 | 120.0° | 120.0° |
| C19 | C22 | H223 | H222 | 120.0° | 120.0° |
| C19 | C22 | H221 | H222 | 120.0° | 120.0° |
| C22 | C19 | H192 | H191 | 119.0° | 120.0° |
| N23 | C24 | C25 | H241 | 116.6° | 114.3° |
| N23 | C24 | C25 | H242 | 116.6° | 114.4° |
| C24 | N23 | C26 | C25 | 2.1° | 24.3° |
| N23 | C24 | C25 | C27 | 103.4° | 138.0° |
| N23 | C24 | C25 | C31 | 117.5° | 91.1° |
| N23 | C24 | H241 | H242 | 129.2° | 131.9° |
| C24 | N23 | C26 | H262 | 114.5° | 138.6° |
| C24 | N23 | C26 | H261 | 118.6° | 90.0° |
| N23 | C26 | C25 | H262 | 116.5° | 114.3° |
| N23 | C26 | C25 | H261 | 116.5° | 114.3° |
| N23 | C26 | C25 | C27 | 117.5° | 138.0° |
| N23 | C26 | C25 | C31 | 122.9° | 91.1° |
| C26 | N23 | C24 | H241 | 118.6° | 90.0° |
| C26 | N23 | C24 | H242 | 114.5° | 138.6° |
| N23 | C26 | H262 | H261 | 129.3° | 131.8° |
| C24 | C25 | C26 | C27 | 115.5° | 114.5° |
| C24 | C25 | C26 | C31 | 124.9° | 114.6° |
| C24 | C25 | C27 | C31 | 142.9° | 131.4° |
| C24 | C25 | C27 | C28 | 82.2° | 77.6° |
| C24 | C25 | C31 | C30 | 78.1° | 77.6° |
| C25 | C24 | H241 | H242 | 129.2° | 131.7° |
| C24 | C25 | C26 | H262 | 114.5° | 137.8° |
| C24 | C25 | C26 | H261 | 118.6° | 90.8° |
| C24 | C25 | C27 | H271 | 37.7° | 42.2° |
| C24 | C25 | C27 | H272 | 158.0° | 162.4° |
| C24 | C25 | C31 | H312 | 162.0° | 162.5° |
| C24 | C25 | C31 | H311 | 41.8° | 42.2° |
| C26 | C25 | C27 | C31 | 121.9° | 131.4° |
| C26 | C25 | C27 | C28 | 177.3° | 174.9° |
| C26 | C25 | C31 | C30 | 175.2° | 174.9° |
| C26 | C25 | C24 | H241 | 118.6° | 90.8° |
| C26 | C25 | C24 | H242 | 114.5° | 137.9° |
| C25 | C26 | H262 | H261 | 129.3° | 131.8° |
| C26 | C25 | C27 | H271 | 57.5° | 55.1° |
| C26 | C25 | C27 | H272 | 62.8° | 65.2° |
| C26 | C25 | C31 | H312 | 55.3° | 65.2° |
| C26 | C25 | C31 | H311 | 64.9° | 55.1° |
| C25 | C27 | C28 | H271 | 119.8° | 119.8° |
| C25 | C27 | C28 | H272 | 119.8° | 119.9° |
| C25 | C27 | C28 | N29 | 52.6° | 56.8° |
| C27 | C25 | C31 | C30 | 62.2° | 53.8° |
| C27 | C25 | C24 | H241 | 140.1° | 23.7° |
| C27 | C25 | C24 | H242 | 13.2° | 107.6° |
| C27 | C25 | C26 | H262 | 1.0° | 107.7° |
| C27 | C25 | C26 | H261 | 125.9° | 23.7° |
| C25 | C27 | H271 | H272 | 120.4° | 120.2° |
| C25 | C27 | C28 | H281 | 68.2° | 63.2° |
| C25 | C27 | C28 | H282 | 173.3° | 176.8° |
| C27 | C25 | C31 | H312 | 57.6° | 66.2° |
| C27 | C25 | C31 | H311 | 177.9° | 173.6° |
| C31 | C25 | C27 | C28 | 60.8° | 53.7° |
| C25 | C31 | C30 | N29 | 54.9° | 56.9° |
| C25 | C31 | C30 | H312 | 119.8° | 119.9° |
| C25 | C31 | C30 | H311 | 119.9° | 119.8° |
| C31 | C25 | C24 | H241 | 1.0° | 154.6° |
| C31 | C25 | C24 | H242 | 125.9° | 23.3° |
| C31 | C25 | C26 | H262 | 120.6° | 23.2° |
| C31 | C25 | C26 | H261 | 6.4° | 154.6° |
| C31 | C25 | C27 | H271 | 179.4° | 173.6° |
| C31 | C25 | C27 | H272 | 59.1° | 66.2° |
| C25 | C31 | C30 | H301 | 65.7° | 176.8° |
| C25 | C31 | C30 | H302 | 175.5° | 63.2° |
| C25 | C31 | H312 | H311 | 120.5° | 120.2° |
| C27 | C28 | N29 | H281 | 120.8° | 120.1° |
| C27 | C28 | N29 | H282 | 120.7° | 120.0° |
| C27 | C28 | N29 | C30 | 46.7° | 63.5° |
| C27 | C28 | N29 | C32 | 167.3° | 172.2° |
| C28 | C27 | H271 | H272 | 120.4° | 120.2° |
| C27 | C28 | H281 | H282 | 117.7° | 120.1° |
| C28 | N29 | C30 | C32 | 122.2° | 124.3° |
| C28 | N29 | C30 | C31 | 47.6° | 63.6° |
| C28 | N29 | C32 | C33 | 71.3° | 72.3° |
| N29 | C28 | C27 | H271 | 172.4° | 176.7° |
| N29 | C28 | C27 | H272 | 67.3° | 63.1° |
| N29 | C28 | H281 | H282 | 117.7° | 119.9° |
| C28 | N29 | C30 | H301 | 72.9° | 176.5° |
| C28 | N29 | C30 | H302 | 168.2° | 56.5° |
| C28 | N29 | C32 | H321 | 168.0° | 47.7° |
| C28 | N29 | C32 | H322 | 49.4° | 167.7° |
| N29 | C30 | C31 | H301 | 120.6° | 119.9° |
| N29 | C30 | C31 | H302 | 120.6° | 120.1° |
| C30 | N29 | C32 | C33 | 165.5° | 163.2° |
| C30 | N29 | C28 | H281 | 74.0° | 56.5° |
| C30 | N29 | C28 | H282 | 167.5° | 176.4° |
| N29 | C30 | H301 | H302 | 118.2° | 120.0° |
| N29 | C30 | C31 | H312 | 64.9° | 63.0° |
| N29 | C30 | C31 | H311 | 174.8° | 176.7° |
| C30 | N29 | C32 | H321 | 44.8° | 76.8° |
| C30 | N29 | C32 | H322 | 73.8° | 43.3° |
| C32 | N29 | C30 | C31 | 169.8° | 172.2° |
| N29 | C32 | C33 | H321 | 120.7° | 120.0° |
| N29 | C32 | C33 | H322 | 120.7° | 119.9° |
| N29 | C32 | C33 | C34 | 48.2° | 58.0° |
| N29 | C32 | C33 | C35 | 169.4° | 156.3° |
| N29 | C32 | C33 | C36 | 102.2° | 87.7° |
| C32 | N29 | C28 | H281 | 46.6° | 67.8° |
| C32 | N29 | C28 | H282 | 71.9° | 52.2° |
| C32 | N29 | C30 | H301 | 49.3° | 52.3° |
| C32 | N29 | C30 | H302 | 69.6° | 67.8° |
| N29 | C32 | H321 | H322 | 117.7° | 119.9° |
| C31 | C30 | H301 | H302 | 118.2° | 120.1° |
| C30 | C31 | H312 | H311 | 120.5° | 120.2° |
| C32 | C33 | C34 | C35 | 142.4° | 145.7° |
| C32 | C33 | C34 | C36 | 151.1° | 145.7° |
| C32 | C33 | C35 | C36 | 109.2° | 107.5° |
| C33 | C32 | H321 | H322 | 117.7° | 120.1° |
| C32 | C33 | C34 | H343 | 180.0° | 65.9° |
| C32 | C33 | C34 | H341 | 60.0° | 174.1° |
| C32 | C33 | C34 | H342 | 60.0° | 54.1° |
| C32 | C33 | C35 | H352 | 141.2° | 145.0° |
| C32 | C33 | C35 | H351 | 0.4° | 0.0° |
| C32 | C33 | C36 | H361 | 6.0° | 0.0° |
| C32 | C33 | C36 | H362 | 147.0° | 145.0° |
| C34 | C33 | C35 | C36 | 106.2° | 107.5° |
| C34 | C33 | C32 | H321 | 72.6° | 178.0° |
| C34 | C33 | C32 | H322 | 168.9° | 61.9° |
| C33 | C34 | H343 | H341 | 120.0° | 120.0° |
| C33 | C34 | H343 | H342 | 120.0° | 120.0° |
| C33 | C34 | H341 | H342 | 120.0° | 119.9° |
| C34 | C33 | C35 | H352 | 3.4° | 0.0° |
| C34 | C33 | C35 | H351 | 144.3° | 145.0° |
| C34 | C33 | C36 | H361 | 145.8° | 145.0° |
| C34 | C33 | C36 | H362 | 4.8° | 0.0° |
| C33 | C35 | C36 | H352 | 109.5° | 107.4° |
| C33 | C35 | C36 | H351 | 109.5° | 107.4° |
| C35 | C33 | C32 | H321 | 69.8° | 36.3° |
| C35 | C33 | C32 | H322 | 48.7° | 83.8° |
| C35 | C33 | C34 | H343 | 37.6° | 79.8° |
| C35 | C33 | C34 | H341 | 157.6° | 40.2° |
| C35 | C33 | C34 | H342 | 82.4° | 160.2° |
| C33 | C35 | H352 | H351 | 144.5° | 145.6° |
| C35 | C33 | C36 | H361 | 109.5° | 107.5° |
| C35 | C33 | C36 | H362 | 109.5° | 107.5° |
| C36 | C33 | C32 | H321 | 137.1° | 32.3° |
| C36 | C33 | C32 | H322 | 18.5° | 152.4° |
| C36 | C33 | C34 | H343 | 28.9° | 148.4° |
| C36 | C33 | C34 | H341 | 91.1° | 28.4° |
| C36 | C33 | C34 | H342 | 148.9° | 91.5° |
| C33 | C36 | H361 | H362 | 144.7° | 145.7° |
| C36 | C35 | H352 | H351 | 144.6° | 145.8° |
| C35 | C36 | H361 | H362 | 144.7° | 145.6° |
| H181 | C18 | C20 | H203 | 61.0° | 60.0° |
| H181 | C18 | C20 | H202 | 179.0° | 60.0° |
| H181 | C18 | C20 | H201 | 59.0° | NaN° |
| H181 | C18 | C21 | H213 | 58.1° | 180.0° |
| H181 | C18 | C21 | H211 | 61.9° | 60.0° |
| H181 | C18 | C21 | H212 | 178.1° | 60.0° |
| H131 | C13 | C12 | H121 | 0.7° | 0.1° |
| H223 | C22 | H221 | H222 | 120.0° | 120.0° |
| H223 | C22 | C19 | H192 | 59.7° | 60.0° |
| H223 | C22 | C19 | H191 | 59.7° | 60.0° |
| H221 | C22 | C19 | H192 | 179.7° | 60.0° |
| H221 | C22 | C19 | H191 | 60.3° | 179.9° |
| H222 | C22 | C19 | H192 | 60.3° | 180.0° |
| H222 | C22 | C19 | H191 | 179.7° | 60.0° |
| H203 | C20 | H202 | H201 | 120.0° | 120.0° |
| H213 | C21 | H211 | H212 | 119.9° | 120.0° |
| H271 | C27 | C28 | H281 | 51.6° | 56.7° |
| H271 | C27 | C28 | H282 | 66.8° | 63.4° |
| H272 | C27 | C28 | H281 | 172.0° | 176.9° |
| H272 | C27 | C28 | H282 | 53.5° | 56.9° |
| H301 | C30 | C31 | H312 | 174.5° | 56.9° |
| H301 | C30 | C31 | H311 | 54.2° | 63.4° |
| H302 | C30 | C31 | H312 | 55.7° | 176.9° |
| H302 | C30 | C31 | H311 | 64.6° | 56.6° |
| H343 | C34 | H341 | H342 | 120.0° | 120.0° |
| H352 | C35 | C36 | H361 | 141.0° | 145.1° |
| H352 | C35 | C36 | H362 | 0.1° | 0.1° |
| H351 | C35 | C36 | H361 | 0.1° | 0.1° |
| H351 | C35 | C36 | H362 | 141.0° | 145.0° |
