GVT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C6 | C7 | sing | 1.53Å | 1.51Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | O13 | sing | 1.43Å | 1.43Å | |
| O13 | C14 | sing | 1.43Å | 1.43Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | O16 | sing | 1.43Å | 1.43Å | |
| O16 | C17 | sing | 1.43Å | 1.42Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | O19 | sing | 1.43Å | 1.43Å | |
| O19 | C20 | sing | 1.43Å | 1.43Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | O22 | sing | 1.43Å | 1.43Å | |
| O22 | C23 | sing | 1.43Å | 1.44Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | O25 | sing | 1.43Å | 1.43Å | |
| O25 | C26 | sing | 1.43Å | 1.43Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C27 | O28 | sing | 1.43Å | 1.43Å | |
| O28 | C29 | sing | 1.43Å | 1.43Å | |
| C29 | C30 | sing | 1.53Å | 1.51Å | |
| C30 | O31 | sing | 1.43Å | 1.43Å | |
| O31 | C32 | sing | 1.43Å | 1.42Å | |
| C32 | C33 | sing | 1.53Å | 1.51Å | |
| C33 | O34 | sing | 1.43Å | 1.43Å | |
| O34 | C35 | sing | 1.43Å | 1.42Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C36 | O37 | sing | 1.43Å | 1.43Å | |
| O37 | C38 | sing | 1.43Å | 1.43Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C39 | OXT | sing | 1.43Å | 1.44Å | |
| C3 | H3C1 | sing | 1.09Å | 1.10Å | |
| C3 | H3C2 | sing | 1.09Å | 1.10Å | |
| C3 | H3C3 | sing | 1.09Å | 1.10Å | |
| C4 | H4C1 | sing | 1.09Å | 1.10Å | |
| C4 | H4C2 | sing | 1.09Å | 1.10Å | |
| C5 | H5C1 | sing | 1.09Å | 1.10Å | |
| C5 | H5C2 | sing | 1.09Å | 1.10Å | |
| C6 | H6C1 | sing | 1.09Å | 1.10Å | |
| C6 | H6C2 | sing | 1.09Å | 1.10Å | |
| C7 | H7C1 | sing | 1.09Å | 1.10Å | |
| C7 | H7C2 | sing | 1.09Å | 1.10Å | |
| C8 | H8C1 | sing | 1.09Å | 1.10Å | |
| C8 | H8C2 | sing | 1.09Å | 1.10Å | |
| C9 | H9C1 | sing | 1.09Å | 1.10Å | |
| C9 | H9C2 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | 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 | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | 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 | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | C5 | 110.0° | 109.5° |
| C4 | C3 | H3C1 | 109.5° | 109.5° |
| C4 | C3 | H3C2 | 109.5° | 109.5° |
| C4 | C3 | H3C3 | 109.5° | 109.5° |
| C3 | C4 | H4C1 | 109.3° | 109.5° |
| C3 | C4 | H4C2 | 109.2° | 109.5° |
| C4 | C5 | C6 | 110.8° | 109.5° |
| C5 | C4 | H4C1 | 109.3° | 109.4° |
| C5 | C4 | H4C2 | 109.2° | 109.5° |
| C4 | C5 | H5C1 | 109.0° | 109.5° |
| C4 | C5 | H5C2 | 108.8° | 109.5° |
| C5 | C6 | C7 | 111.7° | 109.5° |
| C6 | C5 | H5C1 | 109.1° | 109.4° |
| C6 | C5 | H5C2 | 108.7° | 109.4° |
| C5 | C6 | H6C1 | 108.7° | 109.4° |
| C5 | C6 | H6C2 | 108.3° | 109.4° |
| C6 | C7 | C8 | 111.0° | 109.4° |
| C7 | C6 | H6C1 | 108.8° | 109.5° |
| C7 | C6 | H6C2 | 108.2° | 109.5° |
| C6 | C7 | H7C1 | 109.0° | 109.5° |
| C6 | C7 | H7C2 | 108.6° | 109.5° |
| C7 | C8 | C9 | 110.3° | 109.5° |
| C8 | C7 | H7C1 | 109.0° | 109.4° |
| C8 | C7 | H7C2 | 108.6° | 109.5° |
| C7 | C8 | H8C1 | 109.2° | 109.5° |
| C7 | C8 | H8C2 | 109.0° | 109.5° |
| C8 | C9 | C10 | 109.8° | 109.5° |
| C9 | C8 | H8C1 | 109.2° | 109.4° |
| C9 | C8 | H8C2 | 109.0° | 109.5° |
| C8 | C9 | H9C1 | 109.3° | 109.4° |
| C8 | C9 | H9C2 | 109.3° | 109.5° |
| C9 | C10 | C11 | 112.4° | 109.5° |
| C10 | C9 | H9C1 | 109.4° | 109.5° |
| C10 | C9 | H9C2 | 109.3° | 109.5° |
| C9 | C10 | H101 | 108.5° | 109.4° |
| C9 | C10 | H102 | 107.9° | 109.5° |
| C10 | C11 | C12 | 110.6° | 109.5° |
| C11 | C10 | H101 | 108.5° | 109.5° |
| C11 | C10 | H102 | 107.9° | 109.5° |
| C10 | C11 | H111 | 109.1° | 109.5° |
| C10 | C11 | H112 | 108.8° | 109.5° |
| C11 | C12 | O13 | 109.8° | 109.4° |
| C12 | C11 | H111 | 109.1° | 109.5° |
| C12 | C11 | H112 | 108.8° | 109.5° |
| C11 | C12 | H121 | 109.3° | 109.5° |
| C11 | C12 | H122 | 109.3° | 109.5° |
| C12 | O13 | C14 | 113.5° | 114.0° |
| O13 | C12 | H121 | 109.4° | 109.4° |
| O13 | C12 | H122 | 109.2° | 109.5° |
| O13 | C14 | C15 | 110.7° | 109.5° |
| O13 | C14 | H141 | 109.1° | 109.4° |
| O13 | C14 | H142 | 108.8° | 109.5° |
| C14 | C15 | O16 | 108.9° | 109.5° |
| C15 | C14 | H141 | 109.1° | 109.5° |
| C15 | C14 | H142 | 108.7° | 109.5° |
| C14 | C15 | H151 | 109.7° | 109.5° |
| C14 | C15 | H152 | 109.8° | 109.4° |
| C15 | O16 | C17 | 111.9° | 114.1° |
| O16 | C15 | H151 | 109.7° | 109.5° |
| O16 | C15 | H152 | 109.8° | 109.4° |
| O16 | C17 | C18 | 107.0° | 109.5° |
| O16 | C17 | H171 | 110.3° | 109.5° |
| O16 | C17 | H172 | 110.8° | 109.4° |
| C17 | C18 | O19 | 110.1° | 109.5° |
| C18 | C17 | H171 | 110.3° | 109.5° |
| C18 | C17 | H172 | 110.8° | 109.5° |
| C17 | C18 | H181 | 109.3° | 109.5° |
| C17 | C18 | H182 | 109.1° | 109.4° |
| C18 | O19 | C20 | 111.9° | 114.0° |
| O19 | C18 | H181 | 109.3° | 109.5° |
| O19 | C18 | H182 | 109.2° | 109.5° |
| O19 | C20 | C21 | 107.9° | 109.5° |
| O19 | C20 | H201 | 110.0° | 109.5° |
| O19 | C20 | H202 | 110.3° | 109.5° |
| C20 | C21 | O22 | 111.1° | 109.4° |
| C21 | C20 | H201 | 110.0° | 109.5° |
| C21 | C20 | H202 | 110.4° | 109.4° |
| C20 | C21 | H211 | 108.9° | 109.4° |
| C20 | C21 | H212 | 108.6° | 109.5° |
| C21 | O22 | C23 | 113.7° | 114.0° |
| O22 | C21 | H211 | 108.9° | 109.5° |
| O22 | C21 | H212 | 108.6° | 109.5° |
| O22 | C23 | C24 | 109.0° | 109.4° |
| O22 | C23 | H231 | 109.6° | 109.5° |
| O22 | C23 | H232 | 109.8° | 109.5° |
| C23 | C24 | O25 | 106.7° | 109.5° |
| C24 | C23 | H231 | 109.7° | 109.4° |
| C24 | C23 | H232 | 109.7° | 109.5° |
| C23 | C24 | H241 | 110.4° | 109.4° |
| C23 | C24 | H242 | 111.0° | 109.4° |
| C24 | O25 | C26 | 114.3° | 114.0° |
| O25 | C24 | H241 | 110.4° | 109.5° |
| O25 | C24 | H242 | 111.0° | 109.5° |
| O25 | C26 | C27 | 110.8° | 109.5° |
| O25 | C26 | H261 | 109.0° | 109.5° |
| O25 | C26 | H262 | 108.7° | 109.5° |
| C26 | C27 | O28 | 109.3° | 109.5° |
| C27 | C26 | H261 | 109.0° | 109.5° |
| C27 | C26 | H262 | 108.7° | 109.5° |
| C26 | C27 | H271 | 109.5° | 109.4° |
| C26 | C27 | H272 | 109.6° | 109.5° |
| C27 | O28 | C29 | 112.9° | 114.0° |
| O28 | C27 | H271 | 109.5° | 109.5° |
| O28 | C27 | H272 | 109.6° | 109.5° |
| O28 | C29 | C30 | 106.3° | 109.5° |
| O28 | C29 | H291 | 110.5° | 109.4° |
| O28 | C29 | H292 | 111.3° | 109.5° |
| C29 | C30 | O31 | 113.6° | 109.5° |
| C30 | C29 | H291 | 110.5° | 109.5° |
| C30 | C29 | H292 | 111.3° | 109.5° |
| C29 | C30 | H301 | 108.1° | 109.4° |
| C29 | C30 | H302 | 107.2° | 109.5° |
| C30 | O31 | C32 | 109.1° | 114.1° |
| O31 | C30 | H301 | 108.1° | 109.5° |
| O31 | C30 | H302 | 107.2° | 109.5° |
| O31 | C32 | C33 | 110.9° | 109.5° |
| O31 | C32 | H321 | 109.0° | 109.4° |
| O31 | C32 | H322 | 108.7° | 109.4° |
| C32 | C33 | O34 | 104.6° | 109.4° |
| C33 | C32 | H321 | 109.0° | 109.5° |
| C33 | C32 | H322 | 108.7° | 109.5° |
| C32 | C33 | H331 | 111.1° | 109.5° |
| C32 | C33 | H332 | 112.2° | 109.5° |
| C33 | O34 | C35 | 112.6° | 114.0° |
| O34 | C33 | H331 | 111.1° | 109.4° |
| O34 | C33 | H332 | 112.2° | 109.4° |
| O34 | C35 | C36 | 109.8° | 109.5° |
| O34 | C35 | H351 | 109.4° | 109.4° |
| O34 | C35 | H352 | 109.3° | 109.5° |
| C35 | C36 | O37 | 107.6° | 109.5° |
| C36 | C35 | H351 | 109.4° | 109.5° |
| C36 | C35 | H352 | 109.3° | 109.5° |
| C35 | C36 | H361 | 110.1° | 109.5° |
| C35 | C36 | H362 | 110.5° | 109.5° |
| C36 | O37 | C38 | 111.9° | 114.0° |
| O37 | C36 | H361 | 110.1° | 109.5° |
| O37 | C36 | H362 | 110.5° | 109.5° |
| O37 | C38 | C39 | 110.5° | 109.5° |
| O37 | C38 | H381 | 109.1° | 109.5° |
| O37 | C38 | H382 | 108.9° | 109.5° |
| C38 | C39 | OXT | 107.2° | 109.5° |
| C39 | C38 | H381 | 109.2° | 109.5° |
| C39 | C38 | H382 | 108.9° | 109.5° |
| C38 | C39 | H391 | 110.2° | 109.5° |
| C38 | C39 | H392 | 110.7° | 109.5° |
| OXT | C39 | H391 | 110.2° | 109.5° |
| OXT | C39 | H392 | 110.8° | 109.5° |
| C39 | OXT | HXT | 109.5° | 114.0° |
| H3C1 | C3 | H3C2 | 109.5° | 109.5° |
| H3C1 | C3 | H3C3 | 109.5° | 109.4° |
| H3C2 | C3 | H3C3 | 109.5° | 109.5° |
| H4C1 | C4 | H4C2 | 109.9° | 109.4° |
| H5C1 | C5 | H5C2 | 110.5° | 109.4° |
| H6C1 | C6 | H6C2 | 111.2° | 109.5° |
| H7C1 | C7 | H7C2 | 110.6° | 109.5° |
| H8C1 | C8 | H8C2 | 110.1° | 109.4° |
| H9C1 | C9 | H9C2 | 109.7° | 109.4° |
| H101 | C10 | H102 | 111.8° | 109.5° |
| H111 | C11 | H112 | 110.4° | 109.4° |
| H121 | C12 | H122 | 109.8° | 109.5° |
| H141 | C14 | H142 | 110.5° | 109.5° |
| H151 | C15 | H152 | 109.0° | 109.5° |
| H171 | C17 | H172 | 107.6° | 109.4° |
| H181 | C18 | H182 | 109.9° | 109.4° |
| H201 | C20 | H202 | 108.3° | 109.5° |
| H211 | C21 | H212 | 110.7° | 109.5° |
| H231 | C23 | H232 | 109.1° | 109.5° |
| H241 | C24 | H242 | 107.3° | 109.5° |
| H261 | C26 | H262 | 110.5° | 109.4° |
| H271 | C27 | H272 | 109.3° | 109.5° |
| H291 | C29 | H292 | 107.0° | 109.4° |
| H301 | C30 | H302 | 112.8° | 109.4° |
| H321 | C32 | H322 | 110.6° | 109.5° |
| H331 | C33 | H332 | 105.7° | 109.5° |
| H351 | C35 | H352 | 109.7° | 109.5° |
| H361 | C36 | H362 | 108.0° | 109.5° |
| H381 | C38 | H382 | 110.3° | 109.5° |
| H391 | C39 | H392 | 107.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | C5 | H4C1 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4C2 | 119.8° | 120.0° |
| C3 | C4 | C5 | C6 | 85.2° | 180.0° |
| C4 | C3 | H3C1 | H3C2 | 120.0° | 120.0° |
| C4 | C3 | H3C1 | H3C3 | 120.0° | 120.0° |
| C4 | C3 | H3C2 | H3C3 | 120.0° | 120.0° |
| C3 | C4 | H4C1 | H4C2 | 119.8° | 120.0° |
| C3 | C4 | C5 | H5C1 | 154.8° | 60.0° |
| C3 | C4 | C5 | H5C2 | 34.3° | 60.0° |
| C4 | C5 | C6 | H5C1 | 120.0° | 120.0° |
| C4 | C5 | C6 | H5C2 | 119.5° | 120.1° |
| C4 | C5 | C6 | C7 | 102.0° | 180.0° |
| C5 | C4 | C3 | H3C1 | 90.9° | 60.0° |
| C5 | C4 | C3 | H3C2 | 149.1° | 60.0° |
| C5 | C4 | C3 | H3C3 | 29.1° | 180.0° |
| C5 | C4 | H4C1 | H4C2 | 119.8° | 120.0° |
| C4 | C5 | H5C1 | H5C2 | 119.5° | 120.0° |
| C4 | C5 | C6 | H6C1 | 138.0° | 60.0° |
| C4 | C5 | C6 | H6C2 | 17.1° | 60.0° |
| C5 | C6 | C7 | H6C1 | 120.0° | 120.0° |
| C5 | C6 | C7 | H6C2 | 119.1° | 120.0° |
| C5 | C6 | C7 | C8 | 114.1° | 180.0° |
| C6 | C5 | C4 | H4C1 | 34.8° | 60.0° |
| C6 | C5 | C4 | H4C2 | 155.1° | 60.0° |
| C6 | C5 | H5C1 | H5C2 | 119.5° | 119.9° |
| C5 | C6 | H6C1 | H6C2 | 119.1° | 119.9° |
| C5 | C6 | C7 | H7C1 | 5.9° | 60.1° |
| C5 | C6 | C7 | H7C2 | 126.5° | 60.0° |
| C6 | C7 | C8 | H7C1 | 120.0° | 119.9° |
| C6 | C7 | C8 | H7C2 | 119.4° | 120.0° |
| C6 | C7 | C8 | C9 | 178.4° | 180.0° |
| C7 | C6 | C5 | H5C1 | 18.0° | 60.0° |
| C7 | C6 | C5 | H5C2 | 138.6° | 59.9° |
| C7 | C6 | H6C1 | H6C2 | 119.1° | 120.1° |
| C6 | C7 | H7C1 | H7C2 | 119.4° | 120.0° |
| C6 | C7 | C8 | H8C1 | 61.5° | 60.0° |
| C6 | C7 | C8 | H8C2 | 58.8° | 60.0° |
| C7 | C8 | C9 | H8C1 | 120.0° | 120.0° |
| C7 | C8 | C9 | H8C2 | 119.7° | 120.1° |
| C7 | C8 | C9 | C10 | 135.6° | 180.0° |
| C8 | C7 | C6 | H6C1 | 125.9° | 60.0° |
| C8 | C7 | C6 | H6C2 | 4.9° | 60.0° |
| C8 | C7 | H7C1 | H7C2 | 119.4° | 120.0° |
| C7 | C8 | H8C1 | H8C2 | 119.7° | 120.0° |
| C7 | C8 | C9 | H9C1 | 15.6° | 60.0° |
| C7 | C8 | C9 | H9C2 | 104.5° | 59.9° |
| C8 | C9 | C10 | H9C1 | 120.0° | 120.0° |
| C8 | C9 | C10 | H9C2 | 119.9° | 120.1° |
| C8 | C9 | C10 | C11 | 108.1° | 180.0° |
| C9 | C8 | C7 | H7C1 | 58.4° | 60.1° |
| C9 | C8 | C7 | H7C2 | 62.2° | 60.0° |
| C9 | C8 | H8C1 | H8C2 | 119.7° | 120.0° |
| C8 | C9 | H9C1 | H9C2 | 119.9° | 120.0° |
| C8 | C9 | C10 | H101 | 131.8° | 60.0° |
| C8 | C9 | C10 | H102 | 10.6° | 60.0° |
| C9 | C10 | C11 | H101 | 120.0° | 119.9° |
| C9 | C10 | C11 | H102 | 118.8° | 120.0° |
| C9 | C10 | C11 | C12 | 133.9° | 180.0° |
| C10 | C9 | C8 | H8C1 | 104.4° | 60.0° |
| C10 | C9 | C8 | H8C2 | 15.9° | 59.9° |
| C10 | C9 | H9C1 | H9C2 | 119.9° | 120.0° |
| C9 | C10 | H101 | H102 | 118.8° | 120.0° |
| C9 | C10 | C11 | H111 | 13.9° | 60.0° |
| C9 | C10 | C11 | H112 | 106.6° | 59.9° |
| C10 | C11 | C12 | H111 | 120.0° | 120.0° |
| C10 | C11 | C12 | H112 | 119.5° | 120.0° |
| C10 | C11 | C12 | O13 | 82.1° | 180.0° |
| C11 | C10 | C9 | H9C1 | 11.8° | 60.0° |
| C11 | C10 | C9 | H9C2 | 132.0° | 60.0° |
| C11 | C10 | H101 | H102 | 118.8° | 120.0° |
| C10 | C11 | H111 | H112 | 119.5° | 120.0° |
| C10 | C11 | C12 | H121 | 37.9° | 60.0° |
| C10 | C11 | C12 | H122 | 158.1° | 60.0° |
| C11 | C12 | O13 | H121 | 120.0° | 120.0° |
| C11 | C12 | O13 | H122 | 119.8° | 120.0° |
| C11 | C12 | O13 | C14 | 82.4° | 180.0° |
| C12 | C11 | C10 | H101 | 106.1° | 60.0° |
| C12 | C11 | C10 | H102 | 15.1° | 60.0° |
| C12 | C11 | H111 | H112 | 119.5° | 120.0° |
| C11 | C12 | H121 | H122 | 119.8° | 120.0° |
| C12 | O13 | C14 | C15 | 97.7° | 180.0° |
| O13 | C12 | C11 | H111 | 157.9° | 60.0° |
| O13 | C12 | C11 | H112 | 37.4° | 60.0° |
| O13 | C12 | H121 | H122 | 119.8° | 120.0° |
| C12 | O13 | C14 | H141 | 22.3° | 60.0° |
| C12 | O13 | C14 | H142 | 142.9° | 60.0° |
| O13 | C14 | C15 | H141 | 120.0° | 120.0° |
| O13 | C14 | C15 | H142 | 119.5° | 120.0° |
| O13 | C14 | C15 | O16 | 106.6° | 64.9° |
| C14 | O13 | C12 | H121 | 157.6° | 60.0° |
| C14 | O13 | C12 | H122 | 37.4° | 60.0° |
| O13 | C14 | H141 | H142 | 119.5° | 120.0° |
| O13 | C14 | C15 | H151 | 13.4° | 175.0° |
| O13 | C14 | C15 | H152 | 133.2° | 55.0° |
| C14 | C15 | O16 | H151 | 120.0° | 120.0° |
| C14 | C15 | O16 | H152 | 120.2° | 119.9° |
| C14 | C15 | O16 | C17 | 122.6° | 180.0° |
| C15 | C14 | H141 | H142 | 119.5° | 120.0° |
| C14 | C15 | H151 | H152 | 120.2° | 120.0° |
| C15 | O16 | C17 | C18 | 126.4° | 180.0° |
| O16 | C15 | C14 | H141 | 133.4° | 55.0° |
| O16 | C15 | C14 | H142 | 12.9° | 175.0° |
| O16 | C15 | H151 | H152 | 120.3° | 120.0° |
| C15 | O16 | C17 | H171 | 6.4° | 59.9° |
| C15 | O16 | C17 | H172 | 112.6° | 60.0° |
| O16 | C17 | C18 | H171 | 120.0° | 120.0° |
| O16 | C17 | C18 | H172 | 120.9° | 120.0° |
| O16 | C17 | C18 | O19 | 43.0° | 65.0° |
| C17 | O16 | C15 | H151 | 117.4° | 60.0° |
| C17 | O16 | C15 | H152 | 2.3° | 60.1° |
| O16 | C17 | H171 | H172 | 121.0° | 119.9° |
| O16 | C17 | C18 | H181 | 163.0° | 175.0° |
| O16 | C17 | C18 | H182 | 76.8° | 55.0° |
| C17 | C18 | O19 | H181 | 120.0° | 120.1° |
| C17 | C18 | O19 | H182 | 119.8° | 120.0° |
| C17 | C18 | O19 | C20 | 161.8° | 180.0° |
| C18 | C17 | H171 | H172 | 121.0° | 120.0° |
| C17 | C18 | H181 | H182 | 119.8° | 120.0° |
| C18 | O19 | C20 | C21 | 147.5° | 180.0° |
| O19 | C18 | C17 | H171 | 77.0° | 55.0° |
| O19 | C18 | C17 | H172 | 164.0° | 175.0° |
| O19 | C18 | H181 | H182 | 119.8° | 120.0° |
| C18 | O19 | C20 | H201 | 27.6° | 60.0° |
| C18 | O19 | C20 | H202 | 91.9° | 60.0° |
| O19 | C20 | C21 | H201 | 120.0° | 120.0° |
| O19 | C20 | C21 | H202 | 120.6° | 120.0° |
| O19 | C20 | C21 | O22 | 81.6° | 65.0° |
| C20 | O19 | C18 | H181 | 78.2° | 59.9° |
| C20 | O19 | C18 | H182 | 42.0° | 60.0° |
| O19 | C20 | H201 | H202 | 120.6° | 120.0° |
| O19 | C20 | C21 | H211 | 38.4° | 175.0° |
| O19 | C20 | C21 | H212 | 159.0° | 54.9° |
| C20 | C21 | O22 | H211 | 120.0° | 120.0° |
| C20 | C21 | O22 | H212 | 119.3° | 120.0° |
| C20 | C21 | O22 | C23 | 77.0° | 180.0° |
| C21 | C20 | H201 | H202 | 120.7° | 120.0° |
| C20 | C21 | H211 | H212 | 119.3° | 120.0° |
| C21 | O22 | C23 | C24 | 118.1° | 180.0° |
| O22 | C21 | C20 | H201 | 158.4° | 55.0° |
| O22 | C21 | C20 | H202 | 39.0° | 175.0° |
| O22 | C21 | H211 | H212 | 119.3° | 120.1° |
| C21 | O22 | C23 | H231 | 121.9° | 60.0° |
| C21 | O22 | C23 | H232 | 2.1° | 60.0° |
| O22 | C23 | C24 | H231 | 120.0° | 119.9° |
| O22 | C23 | C24 | H232 | 120.2° | 120.0° |
| O22 | C23 | C24 | O25 | 2.3° | 64.9° |
| C23 | O22 | C21 | H211 | 43.0° | 60.1° |
| C23 | O22 | C21 | H212 | 163.7° | 60.0° |
| O22 | C23 | H231 | H232 | 120.2° | 120.0° |
| O22 | C23 | C24 | H241 | 117.7° | 175.0° |
| O22 | C23 | C24 | H242 | 123.3° | 55.0° |
| C23 | C24 | O25 | H241 | 120.0° | 120.0° |
| C23 | C24 | O25 | H242 | 121.1° | 120.0° |
| C23 | C24 | O25 | C26 | 126.1° | 180.0° |
| C24 | C23 | H231 | H232 | 120.2° | 120.0° |
| C23 | C24 | H241 | H242 | 121.1° | 119.9° |
| C24 | O25 | C26 | C27 | 59.6° | 180.0° |
| O25 | C24 | C23 | H231 | 122.3° | 55.0° |
| O25 | C24 | C23 | H232 | 117.9° | 175.0° |
| O25 | C24 | H241 | H242 | 121.1° | 120.0° |
| C24 | O25 | C26 | H261 | 179.6° | 59.9° |
| C24 | O25 | C26 | H262 | 59.8° | 60.0° |
| O25 | C26 | C27 | H261 | 120.0° | 120.0° |
| O25 | C26 | C27 | H262 | 119.4° | 120.0° |
| O25 | C26 | C27 | O28 | 123.7° | 65.1° |
| C26 | O25 | C24 | H241 | 6.1° | 60.0° |
| C26 | O25 | C24 | H242 | 112.8° | 60.0° |
| O25 | C26 | H261 | H262 | 119.4° | 120.0° |
| O25 | C26 | C27 | H271 | 116.3° | 175.0° |
| O25 | C26 | C27 | H272 | 3.6° | 55.0° |
| C26 | C27 | O28 | H271 | 120.0° | 119.9° |
| C26 | C27 | O28 | H272 | 120.1° | 120.0° |
| C26 | C27 | O28 | C29 | 166.0° | 180.0° |
| C27 | C26 | H261 | H262 | 119.5° | 120.0° |
| C26 | C27 | H271 | H272 | 120.1° | 120.0° |
| C27 | O28 | C29 | C30 | 83.4° | 180.0° |
| O28 | C27 | C26 | H261 | 3.7° | 55.0° |
| O28 | C27 | C26 | H262 | 116.8° | 175.0° |
| O28 | C27 | H271 | H272 | 120.1° | 120.0° |
| C27 | O28 | C29 | H291 | 36.5° | 60.0° |
| C27 | O28 | C29 | H292 | 155.3° | 59.9° |
| O28 | C29 | C30 | H291 | 120.0° | 119.9° |
| O28 | C29 | C30 | H292 | 121.2° | 120.1° |
| O28 | C29 | C30 | O31 | 164.6° | 65.0° |
| C29 | O28 | C27 | H271 | 46.0° | 60.1° |
| C29 | O28 | C27 | H272 | 73.9° | 60.0° |
| O28 | C29 | H291 | H292 | 121.3° | 120.0° |
| O28 | C29 | C30 | H301 | 75.3° | 175.0° |
| O28 | C29 | C30 | H302 | 46.5° | 55.1° |
| C29 | C30 | O31 | H301 | 120.0° | 120.0° |
| C29 | C30 | O31 | H302 | 118.2° | 120.0° |
| C29 | C30 | O31 | C32 | 77.6° | 180.0° |
| C30 | C29 | H291 | H292 | 121.3° | 120.1° |
| C29 | C30 | H301 | H302 | 118.3° | 119.9° |
| C30 | O31 | C32 | C33 | 120.4° | 180.0° |
| O31 | C30 | C29 | H291 | 44.7° | 55.0° |
| O31 | C30 | C29 | H292 | 74.1° | 175.0° |
| O31 | C30 | H301 | H302 | 118.3° | 120.0° |
| C30 | O31 | C32 | H321 | 0.4° | 60.0° |
| C30 | O31 | C32 | H322 | 120.2° | 60.0° |
| O31 | C32 | C33 | H321 | 120.0° | 120.0° |
| O31 | C32 | C33 | H322 | 119.4° | 120.0° |
| O31 | C32 | C33 | O34 | 158.9° | 65.0° |
| C32 | O31 | C30 | H301 | 162.4° | 60.0° |
| C32 | O31 | C30 | H302 | 40.6° | 60.0° |
| O31 | C32 | H321 | H322 | 119.4° | 119.9° |
| O31 | C32 | C33 | H331 | 39.0° | 175.0° |
| O31 | C32 | C33 | H332 | 79.2° | 54.9° |
| C32 | C33 | O34 | H331 | 120.0° | 120.0° |
| C32 | C33 | O34 | H332 | 121.9° | 120.0° |
| C32 | C33 | O34 | C35 | 100.6° | 180.0° |
| C33 | C32 | H321 | H322 | 119.4° | 120.0° |
| C32 | C33 | H331 | H332 | 122.0° | 120.1° |
| C33 | O34 | C35 | C36 | 129.7° | 180.0° |
| O34 | C33 | C32 | H321 | 81.0° | 55.0° |
| O34 | C33 | C32 | H322 | 39.5° | 175.0° |
| O34 | C33 | H331 | H332 | 122.0° | 119.9° |
| C33 | O34 | C35 | H351 | 110.3° | 60.0° |
| C33 | O34 | C35 | H352 | 9.8° | 59.9° |
| O34 | C35 | C36 | H351 | 120.0° | 119.9° |
| O34 | C35 | C36 | H352 | 119.9° | 120.0° |
| O34 | C35 | C36 | O37 | 155.8° | 65.0° |
| C35 | O34 | C33 | H331 | 139.4° | 60.0° |
| C35 | O34 | C33 | H332 | 21.2° | 60.0° |
| O34 | C35 | H351 | H352 | 119.9° | 119.9° |
| O34 | C35 | C36 | H361 | 35.9° | 175.0° |
| O34 | C35 | C36 | H362 | 83.4° | 55.0° |
| C35 | C36 | O37 | H361 | 120.0° | 120.0° |
| C35 | C36 | O37 | H362 | 120.8° | 120.0° |
| C35 | C36 | O37 | C38 | 103.2° | 180.0° |
| C36 | C35 | H351 | H352 | 119.9° | 120.1° |
| C35 | C36 | H361 | H362 | 120.8° | 120.0° |
| C36 | O37 | C38 | C39 | 159.2° | 180.0° |
| O37 | C36 | C35 | H351 | 84.1° | 55.0° |
| O37 | C36 | C35 | H352 | 36.0° | 175.0° |
| O37 | C36 | H361 | H362 | 120.7° | 120.0° |
| C36 | O37 | C38 | H381 | 39.2° | 60.0° |
| C36 | O37 | C38 | H382 | 81.2° | 60.0° |
| O37 | C38 | C39 | H381 | 120.0° | 120.0° |
| O37 | C38 | C39 | H382 | 119.6° | 120.0° |
| O37 | C38 | C39 | OXT | 134.6° | 65.0° |
| C38 | O37 | C36 | H361 | 16.8° | 60.0° |
| C38 | O37 | C36 | H362 | 136.1° | 60.0° |
| O37 | C38 | H381 | H382 | 119.6° | 120.0° |
| O37 | C38 | C39 | H391 | 14.6° | 175.0° |
| O37 | C38 | C39 | H392 | 104.5° | 55.0° |
| C38 | C39 | OXT | H391 | 120.0° | 120.0° |
| C38 | C39 | OXT | H392 | 120.9° | 120.0° |
| C39 | C38 | H381 | H382 | 119.6° | 120.0° |
| C38 | C39 | H391 | H392 | 120.9° | 120.0° |
| C38 | C39 | OXT | HXT | 164.0° | 180.0° |
| OXT | C39 | C38 | H381 | 105.5° | 55.0° |
| OXT | C39 | C38 | H382 | 15.0° | 175.0° |
| OXT | C39 | H391 | H392 | 121.0° | 120.0° |
| H3C1 | C3 | H3C2 | H3C3 | 120.0° | 120.0° |
| H3C1 | C3 | C4 | H4C1 | 149.1° | 60.0° |
| H3C1 | C3 | C4 | H4C2 | 28.9° | 180.0° |
| H3C2 | C3 | C4 | H4C1 | 29.1° | 180.0° |
| H3C2 | C3 | C4 | H4C2 | 91.1° | 60.0° |
| H3C3 | C3 | C4 | H4C1 | 90.9° | 60.0° |
| H3C3 | C3 | C4 | H4C2 | 148.9° | 60.0° |
| H4C1 | C4 | C5 | H5C1 | 85.2° | 180.0° |
| H4C1 | C4 | C5 | H5C2 | 154.3° | 60.0° |
| H4C2 | C4 | C5 | H5C1 | 35.0° | 60.0° |
| H4C2 | C4 | C5 | H5C2 | 85.5° | 180.0° |
| H5C1 | C5 | C6 | H6C1 | 102.0° | 180.0° |
| H5C1 | C5 | C6 | H6C2 | 137.1° | 60.1° |
| H5C2 | C5 | C6 | H6C1 | 18.6° | 60.1° |
| H5C2 | C5 | C6 | H6C2 | 102.4° | 180.0° |
| H6C1 | C6 | C7 | H7C1 | 114.1° | 180.0° |
| H6C1 | C6 | C7 | H7C2 | 6.5° | 60.0° |
| H6C2 | C6 | C7 | H7C1 | 124.9° | 59.9° |
| H6C2 | C6 | C7 | H7C2 | 114.4° | 180.0° |
| H7C1 | C7 | C8 | H8C1 | 178.4° | 180.0° |
| H7C1 | C7 | C8 | H8C2 | 61.2° | 60.0° |
| H7C2 | C7 | C8 | H8C1 | 57.8° | 60.0° |
| H7C2 | C7 | C8 | H8C2 | 178.2° | 180.0° |
| H8C1 | C8 | C9 | H9C1 | 135.6° | NaN° |
| H8C1 | C8 | C9 | H9C2 | 15.5° | 60.1° |
| H8C2 | C8 | C9 | H9C1 | 104.1° | 60.1° |
| H8C2 | C8 | C9 | H9C2 | 135.8° | 180.0° |
| H9C1 | C9 | C10 | H101 | 108.2° | 180.0° |
| H9C1 | C9 | C10 | H102 | 130.6° | 60.0° |
| H9C2 | C9 | C10 | H101 | 12.0° | 60.0° |
| H9C2 | C9 | C10 | H102 | 109.3° | 180.0° |
| H101 | C10 | C11 | H111 | 133.9° | 179.9° |
| H101 | C10 | C11 | H112 | 13.4° | 60.0° |
| H102 | C10 | C11 | H111 | 104.8° | 60.0° |
| H102 | C10 | C11 | H112 | 134.7° | 180.0° |
| H111 | C11 | C12 | H121 | 82.0° | 179.9° |
| H111 | C11 | C12 | H122 | 38.1° | 60.0° |
| H112 | C11 | C12 | H121 | 157.5° | 60.0° |
| H112 | C11 | C12 | H122 | 82.4° | 180.0° |
| H141 | C14 | C15 | H151 | 106.6° | 65.0° |
| H141 | C14 | C15 | H152 | 13.2° | 174.9° |
| H142 | C14 | C15 | H151 | 132.9° | 55.0° |
| H142 | C14 | C15 | H152 | 107.4° | 65.1° |
| H171 | C17 | C18 | H181 | 43.0° | 65.0° |
| H171 | C17 | C18 | H182 | 163.2° | 175.0° |
| H172 | C17 | C18 | H181 | 76.1° | 55.0° |
| H172 | C17 | C18 | H182 | 44.2° | 65.0° |
| H201 | C20 | C21 | H211 | 81.6° | 65.0° |
| H201 | C20 | C21 | H212 | 39.1° | 175.0° |
| H202 | C20 | C21 | H211 | 159.0° | 55.0° |
| H202 | C20 | C21 | H212 | 80.4° | 65.0° |
| H231 | C23 | C24 | H241 | 2.3° | 65.0° |
| H231 | C23 | C24 | H242 | 116.7° | 175.0° |
| H232 | C23 | C24 | H241 | 122.1° | 55.0° |
| H232 | C23 | C24 | H242 | 3.1° | 65.0° |
| H261 | C26 | C27 | H271 | 123.7° | 65.0° |
| H261 | C26 | C27 | H272 | 116.4° | 175.0° |
| H262 | C26 | C27 | H271 | 3.2° | 55.0° |
| H262 | C26 | C27 | H272 | 123.1° | 65.0° |
| H291 | C29 | C30 | H301 | 164.7° | 65.1° |
| H291 | C29 | C30 | H302 | 73.5° | 175.0° |
| H292 | C29 | C30 | H301 | 45.9° | 54.9° |
| H292 | C29 | C30 | H302 | 167.7° | 65.0° |
| H321 | C32 | C33 | H331 | 159.0° | 65.0° |
| H321 | C32 | C33 | H332 | 40.8° | 174.9° |
| H322 | C32 | C33 | H331 | 80.5° | 55.0° |
| H322 | C32 | C33 | H332 | 161.4° | 65.1° |
| H351 | C35 | C36 | H361 | 155.9° | 65.0° |
| H351 | C35 | C36 | H362 | 36.6° | 175.0° |
| H352 | C35 | C36 | H361 | 84.0° | 55.0° |
| H352 | C35 | C36 | H362 | 156.7° | 65.0° |
| H381 | C38 | C39 | H391 | 134.5° | 65.0° |
| H381 | C38 | C39 | H392 | 15.4° | 175.0° |
| H382 | C38 | C39 | H391 | 105.0° | 55.0° |
| H382 | C38 | C39 | H392 | 135.9° | 65.0° |
| H391 | C39 | OXT | HXT | 44.1° | 60.0° |
| H392 | C39 | OXT | HXT | 75.1° | 60.0° |
