ALD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | C7 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | O8 | sing | 1.45Å | 1.44Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| O8 | C9 | sing | 1.35Å | 1.41Å | |
| C9 | N10 | sing | 1.35Å | 1.34Å | |
| C9 | O31 | doub | 1.22Å | 1.23Å | |
| N10 | C11 | sing | 1.46Å | 1.47Å | |
| N10 | HNA | sing | 0.97Å | 1.00Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | C30 | sing | 1.53Å | 1.54Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | N13 | sing | 1.35Å | 1.33Å | |
| C12 | O32 | doub | 1.21Å | 1.23Å | |
| N13 | C14 | sing | 1.47Å | 1.46Å | |
| N13 | HND | sing | 0.97Å | 1.00Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | C24 | sing | 1.53Å | 1.53Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | N16 | sing | 1.35Å | 1.33Å | |
| C15 | O34 | doub | 1.21Å | 1.24Å | |
| N16 | C17 | sing | 1.47Å | 1.46Å | |
| N16 | HNG | sing | 0.97Å | 1.00Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | C22 | sing | 1.53Å | 1.55Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.52Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C22 | O33 | sing | 1.43Å | 1.43Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | C27 | sing | 1.53Å | 1.52Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C31 | C33 | sing | 1.53Å | 1.53Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| O33 | HOX | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.8° | 120.0° |
| C2 | C1 | H1 | 120.1° | 120.0° |
| C1 | C2 | C3 | 120.9° | 120.0° |
| C1 | C2 | H2 | 119.5° | 120.0° |
| C6 | C1 | H1 | 120.1° | 120.0° |
| C1 | C6 | C5 | 119.8° | 120.1° |
| C1 | C6 | H6 | 120.1° | 120.0° |
| C3 | C2 | H2 | 119.6° | 120.0° |
| C2 | C3 | C4 | 118.7° | 120.0° |
| C2 | C3 | C7 | 120.9° | 119.9° |
| C4 | C3 | C7 | 120.4° | 120.1° |
| C3 | C4 | C5 | 121.0° | 120.0° |
| C3 | C4 | H4 | 119.5° | 120.0° |
| C3 | C7 | O8 | 127.2° | 109.5° |
| C3 | C7 | H71 | 104.9° | 109.5° |
| C3 | C7 | H72 | 104.9° | 109.6° |
| C5 | C4 | H4 | 119.5° | 119.9° |
| C4 | C5 | C6 | 119.8° | 119.9° |
| C4 | C5 | H5 | 120.1° | 120.0° |
| C6 | C5 | H5 | 120.1° | 120.0° |
| C5 | C6 | H6 | 120.1° | 120.0° |
| O8 | C7 | H71 | 104.9° | 109.4° |
| O8 | C7 | H72 | 104.9° | 109.5° |
| C7 | O8 | C9 | 120.7° | 117.0° |
| H71 | C7 | H72 | 109.5° | 109.5° |
| O8 | C9 | N10 | 116.1° | 120.0° |
| O8 | C9 | O31 | 120.7° | 120.0° |
| N10 | C9 | O31 | 123.2° | 120.0° |
| C9 | N10 | C11 | 122.6° | 120.0° |
| C9 | N10 | HNA | 118.7° | 120.0° |
| C11 | N10 | HNA | 118.7° | 120.0° |
| N10 | C11 | C12 | 108.6° | 109.5° |
| N10 | C11 | C30 | 109.9° | 109.5° |
| N10 | C11 | H11 | 109.6° | 109.6° |
| C12 | C11 | C30 | 111.2° | 109.4° |
| C12 | C11 | H11 | 108.8° | 109.5° |
| C11 | C12 | N13 | 116.4° | 120.0° |
| C11 | C12 | O32 | 120.9° | 120.0° |
| C30 | C11 | H11 | 108.6° | 109.4° |
| C11 | C30 | C31 | 125.4° | 109.5° |
| C11 | C30 | H301 | 105.3° | 109.5° |
| C11 | C30 | H302 | 105.4° | 109.5° |
| N13 | C12 | O32 | 122.7° | 120.0° |
| C12 | N13 | C14 | 121.5° | 120.0° |
| C12 | N13 | HND | 119.2° | 120.0° |
| C14 | N13 | HND | 119.3° | 120.0° |
| N13 | C14 | C15 | 111.5° | 109.4° |
| N13 | C14 | C24 | 110.0° | 109.4° |
| N13 | C14 | H14 | 109.5° | 109.5° |
| C15 | C14 | C24 | 108.4° | 109.4° |
| C15 | C14 | H14 | 108.7° | 109.5° |
| C14 | C15 | N16 | 115.9° | 120.0° |
| C14 | C15 | O34 | 120.7° | 120.0° |
| C24 | C14 | H14 | 108.6° | 109.5° |
| C14 | C24 | C25 | 120.4° | 109.5° |
| C14 | C24 | H241 | 106.7° | 109.5° |
| C14 | C24 | H242 | 106.7° | 109.4° |
| N16 | C15 | O34 | 123.3° | 120.0° |
| C15 | N16 | C17 | 121.7° | 120.0° |
| C15 | N16 | HNG | 119.1° | 120.0° |
| C17 | N16 | HNG | 119.1° | 120.0° |
| N16 | C17 | C18 | 109.9° | 109.5° |
| N16 | C17 | C22 | 108.8° | 109.5° |
| N16 | C17 | H17 | 108.9° | 109.4° |
| C18 | C17 | C22 | 113.4° | 109.5° |
| C18 | C17 | H17 | 107.9° | 109.6° |
| C17 | C18 | C19 | 117.1° | 109.5° |
| C17 | C18 | H181 | 107.5° | 109.5° |
| C17 | C18 | H182 | 107.5° | 109.5° |
| C22 | C17 | H17 | 107.8° | 109.4° |
| C17 | C22 | O33 | 109.5° | 109.4° |
| C17 | C22 | H221 | 109.5° | 109.5° |
| C17 | C22 | H222 | 109.5° | 109.5° |
| C19 | C18 | H181 | 107.5° | 109.5° |
| C19 | C18 | H182 | 107.5° | 109.4° |
| C18 | C19 | C20 | 111.0° | 109.5° |
| C18 | C19 | C21 | 111.5° | 109.5° |
| C18 | C19 | H19 | 107.7° | 109.4° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| C20 | C19 | C21 | 110.7° | 109.5° |
| C20 | C19 | H19 | 107.9° | 109.5° |
| C19 | C20 | H201 | 109.5° | 109.5° |
| C19 | C20 | H202 | 109.5° | 109.5° |
| C19 | C20 | H203 | 109.5° | 109.4° |
| C21 | C19 | H19 | 107.8° | 109.5° |
| C19 | C21 | H211 | 109.5° | 109.5° |
| C19 | C21 | H212 | 109.5° | 109.4° |
| C19 | C21 | H213 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.5° | 109.4° |
| H202 | C20 | H203 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H211 | C21 | H213 | 109.5° | 109.5° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| O33 | C22 | H221 | 109.5° | 109.4° |
| O33 | C22 | H222 | 109.5° | 109.5° |
| C22 | O33 | HOX | 109.5° | 114.0° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| C25 | C24 | H241 | 106.7° | 109.5° |
| C25 | C24 | H242 | 106.7° | 109.5° |
| C24 | C25 | C26 | 110.2° | 109.5° |
| C24 | C25 | C27 | 112.5° | 109.5° |
| C24 | C25 | H25 | 107.4° | 109.4° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| C26 | C25 | C27 | 111.4° | 109.5° |
| C26 | C25 | H25 | 107.6° | 109.4° |
| C25 | C26 | H261 | 109.5° | 109.4° |
| C25 | C26 | H262 | 109.5° | 109.5° |
| C25 | C26 | H263 | 109.5° | 109.5° |
| C27 | C25 | H25 | 107.5° | 109.5° |
| C25 | C27 | H271 | 109.5° | 109.4° |
| C25 | C27 | H272 | 109.5° | 109.5° |
| C25 | C27 | H273 | 109.5° | 109.4° |
| H261 | C26 | H262 | 109.4° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.5° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H271 | C27 | H273 | 109.5° | 109.5° |
| H272 | C27 | H273 | 109.5° | 109.5° |
| C31 | C30 | H301 | 105.4° | 109.5° |
| C31 | C30 | H302 | 105.3° | 109.4° |
| C30 | C31 | C32 | 113.0° | 109.4° |
| C30 | C31 | C33 | 110.0° | 109.4° |
| C30 | C31 | H31 | 107.6° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| C32 | C31 | C33 | 110.8° | 109.5° |
| C32 | C31 | H31 | 107.7° | 109.5° |
| C31 | C32 | H321 | 109.5° | 109.4° |
| C31 | C32 | H322 | 109.5° | 109.4° |
| C31 | C32 | H323 | 109.5° | 109.5° |
| C33 | C31 | H31 | 107.6° | 109.5° |
| C31 | C33 | H331 | 109.5° | 109.5° |
| C31 | C33 | H332 | 109.5° | 109.5° |
| C31 | C33 | H333 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H321 | C32 | H323 | 109.4° | 109.5° |
| H322 | C32 | H323 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.4° | 109.5° |
| H331 | C33 | H333 | 109.4° | 109.5° |
| H332 | C33 | H333 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.6° |
| C1 | C2 | C3 | H2 | 180.0° | 179.4° |
| C1 | C2 | C3 | C4 | 0.2° | 0.5° |
| C1 | C2 | C3 | C7 | 180.0° | 179.8° |
| C2 | C1 | C6 | C5 | 0.1° | 0.2° |
| C2 | C1 | C6 | H6 | 179.9° | 179.8° |
| C6 | C1 | C2 | C3 | 0.1° | 0.5° |
| C6 | C1 | C2 | H2 | 179.8° | 179.9° |
| C1 | C6 | C5 | C4 | 0.1° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| H1 | C1 | C2 | C3 | 179.8° | 180.0° |
| H1 | C1 | C2 | H2 | 0.2° | 0.5° |
| H1 | C1 | C6 | C5 | 179.9° | 179.7° |
| H1 | C1 | C6 | H6 | 0.1° | 0.2° |
| C2 | C3 | C4 | C7 | 179.8° | 179.7° |
| C2 | C3 | C4 | C5 | 0.2° | 0.3° |
| C2 | C3 | C4 | H4 | 179.8° | 179.7° |
| C2 | C3 | C7 | O8 | 48.9° | 90.3° |
| C2 | C3 | C7 | H71 | 171.2° | 149.8° |
| C2 | C3 | C7 | H72 | 73.5° | 29.7° |
| H2 | C2 | C3 | C4 | 179.8° | 180.0° |
| H2 | C2 | C3 | C7 | 0.1° | 0.3° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| C4 | C3 | C7 | O8 | 131.3° | 90.0° |
| C4 | C3 | C7 | H71 | 9.0° | 29.9° |
| C4 | C3 | C7 | H72 | 106.4° | 150.0° |
| C7 | C3 | C4 | C5 | 179.9° | 180.0° |
| C7 | C3 | C4 | H4 | 0.0° | 0.0° |
| C3 | C7 | O8 | H71 | 122.3° | 120.0° |
| C3 | C7 | O8 | H72 | 122.3° | 120.1° |
| C3 | C7 | H71 | H72 | 112.1° | 120.1° |
| C3 | C7 | O8 | C9 | 86.0° | 180.0° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| H4 | C4 | C5 | C6 | 179.8° | 180.0° |
| H4 | C4 | C5 | H5 | 0.1° | 0.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| O8 | C7 | H71 | H72 | 112.1° | 119.9° |
| C7 | O8 | C9 | N10 | 126.7° | 180.0° |
| C7 | O8 | C9 | O31 | 53.2° | 0.2° |
| H71 | C7 | O8 | C9 | 151.7° | 60.0° |
| H72 | C7 | O8 | C9 | 36.4° | 60.0° |
| O8 | C9 | N10 | O31 | 179.9° | 179.8° |
| O8 | C9 | N10 | C11 | 179.9° | 174.7° |
| O8 | C9 | N10 | HNA | 0.1° | 5.3° |
| C9 | N10 | C11 | HNA | 180.0° | 179.9° |
| C9 | N10 | C11 | C12 | 175.9° | 151.6° |
| C9 | N10 | C11 | C30 | 54.0° | 88.5° |
| C9 | N10 | C11 | H11 | 65.4° | 31.6° |
| O31 | C9 | N10 | C11 | 0.2° | 5.1° |
| O31 | C9 | N10 | HNA | 179.8° | 175.0° |
| N10 | C11 | C12 | C30 | 121.1° | 120.0° |
| N10 | C11 | C12 | H11 | 119.3° | 120.1° |
| N10 | C11 | C30 | H11 | 120.0° | 120.1° |
| N10 | C11 | C12 | N13 | 82.5° | 166.7° |
| N10 | C11 | C12 | O32 | 95.9° | 13.2° |
| N10 | C11 | C30 | C31 | 167.6° | 174.2° |
| N10 | C11 | C30 | H301 | 70.3° | 54.2° |
| N10 | C11 | C30 | H302 | 45.4° | 65.8° |
| HNA | N10 | C11 | C12 | 4.2° | 28.3° |
| HNA | N10 | C11 | C30 | 126.0° | 91.6° |
| HNA | N10 | C11 | H11 | 114.6° | 148.4° |
| C12 | C11 | C30 | H11 | 119.7° | 119.9° |
| C11 | C12 | N13 | O32 | 178.4° | 179.9° |
| C11 | C12 | N13 | C14 | 179.0° | 174.9° |
| C11 | C12 | N13 | HND | 1.0° | 5.2° |
| C12 | C11 | C30 | C31 | 47.2° | 65.8° |
| C12 | C11 | C30 | H301 | 169.4° | 174.1° |
| C12 | C11 | C30 | H302 | 74.9° | 54.1° |
| C30 | C11 | C12 | N13 | 156.4° | 73.3° |
| C30 | C11 | C12 | O32 | 25.2° | 106.7° |
| C11 | C30 | C31 | H301 | 122.1° | 120.0° |
| C11 | C30 | C31 | H302 | 122.2° | 120.0° |
| C11 | C30 | H301 | H302 | 112.8° | 120.0° |
| C11 | C30 | C31 | C32 | 38.5° | 66.7° |
| C11 | C30 | C31 | C33 | 162.9° | 173.3° |
| C11 | C30 | C31 | H31 | 80.2° | 53.3° |
| H11 | C11 | C12 | N13 | 36.8° | 46.6° |
| H11 | C11 | C12 | O32 | 144.8° | 133.3° |
| H11 | C11 | C30 | C31 | 72.5° | 54.1° |
| H11 | C11 | C30 | H301 | 49.7° | 65.9° |
| H11 | C11 | C30 | H302 | 165.4° | 174.1° |
| C12 | N13 | C14 | HND | 180.0° | 179.9° |
| C12 | N13 | C14 | C15 | 159.7° | 155.0° |
| C12 | N13 | C14 | C24 | 80.0° | 85.1° |
| C12 | N13 | C14 | H14 | 39.4° | 35.0° |
| O32 | C12 | N13 | C14 | 0.6° | 5.0° |
| O32 | C12 | N13 | HND | 179.4° | 174.9° |
| N13 | C14 | C15 | C24 | 121.2° | 119.9° |
| N13 | C14 | C15 | H14 | 120.9° | 120.0° |
| N13 | C14 | C24 | H14 | 119.9° | 120.0° |
| N13 | C14 | C15 | N16 | 176.0° | 180.0° |
| N13 | C14 | C15 | O34 | 6.0° | 0.0° |
| N13 | C14 | C24 | C25 | 102.7° | 65.1° |
| N13 | C14 | C24 | H241 | 18.8° | 54.9° |
| N13 | C14 | C24 | H242 | 135.8° | 175.0° |
| HND | N13 | C14 | C15 | 20.3° | 24.9° |
| HND | N13 | C14 | C24 | 100.0° | 95.0° |
| HND | N13 | C14 | H14 | 140.6° | 145.0° |
| C15 | C14 | C24 | H14 | 118.0° | 120.0° |
| C14 | C15 | N16 | O34 | 177.9° | 179.9° |
| C14 | C15 | N16 | C17 | 178.1° | 180.0° |
| C14 | C15 | N16 | HNG | 1.9° | 0.1° |
| C15 | C14 | C24 | C25 | 135.2° | 175.0° |
| C15 | C14 | C24 | H241 | 103.3° | 65.0° |
| C15 | C14 | C24 | H242 | 13.7° | 55.0° |
| C24 | C14 | C15 | N16 | 62.8° | 60.1° |
| C24 | C14 | C15 | O34 | 115.2° | 120.0° |
| C14 | C24 | C25 | H241 | 121.5° | 120.0° |
| C14 | C24 | C25 | H242 | 121.5° | 119.9° |
| C14 | C24 | H241 | H242 | 115.1° | 120.0° |
| C14 | C24 | C25 | C26 | 102.2° | 175.0° |
| C14 | C24 | C25 | C27 | 22.7° | 65.0° |
| C14 | C24 | C25 | H25 | 140.9° | 55.1° |
| H14 | C14 | C15 | N16 | 55.1° | 60.0° |
| H14 | C14 | C15 | O34 | 126.9° | 120.0° |
| H14 | C14 | C24 | C25 | 17.2° | 54.9° |
| H14 | C14 | C24 | H241 | 138.7° | 175.0° |
| H14 | C14 | C24 | H242 | 104.3° | 65.0° |
| C15 | N16 | C17 | HNG | 180.0° | 179.9° |
| C15 | N16 | C17 | C18 | 164.8° | 155.1° |
| C15 | N16 | C17 | C22 | 70.5° | 84.9° |
| C15 | N16 | C17 | H17 | 46.8° | 35.0° |
| O34 | C15 | N16 | C17 | 0.1° | 0.0° |
| O34 | C15 | N16 | HNG | 179.9° | 180.0° |
| N16 | C17 | C18 | C22 | 122.0° | 120.0° |
| N16 | C17 | C18 | H17 | 118.6° | 120.0° |
| N16 | C17 | C22 | H17 | 118.0° | 119.9° |
| N16 | C17 | C18 | C19 | 53.0° | 64.0° |
| N16 | C17 | C18 | H181 | 68.1° | 56.1° |
| N16 | C17 | C18 | H182 | 174.1° | 176.2° |
| N16 | C17 | C22 | O33 | 44.1° | 65.0° |
| N16 | C17 | C22 | H221 | 75.9° | 55.0° |
| N16 | C17 | C22 | H222 | 164.1° | 175.0° |
| HNG | N16 | C17 | C18 | 15.2° | 25.0° |
| HNG | N16 | C17 | C22 | 109.5° | 95.0° |
| HNG | N16 | C17 | H17 | 133.2° | 145.1° |
| C18 | C17 | C22 | H17 | 119.4° | 120.1° |
| C17 | C18 | C19 | H181 | 121.1° | 120.1° |
| C17 | C18 | C19 | H182 | 121.1° | 120.0° |
| C17 | C18 | H181 | H182 | 116.5° | 120.1° |
| C17 | C18 | C19 | C20 | 142.6° | 174.9° |
| C17 | C18 | C19 | C21 | 93.5° | 65.1° |
| C17 | C18 | C19 | H19 | 24.6° | 54.9° |
| C18 | C17 | C22 | O33 | 78.5° | 55.0° |
| C18 | C17 | C22 | H221 | 161.5° | 174.9° |
| C18 | C17 | C22 | H222 | 41.5° | 65.0° |
| C22 | C17 | C18 | C19 | 174.9° | 176.1° |
| C22 | C17 | C18 | H181 | 53.8° | 63.9° |
| C22 | C17 | C18 | H182 | 64.0° | 56.2° |
| C17 | C22 | O33 | H221 | 120.0° | 120.0° |
| C17 | C22 | O33 | H222 | 120.0° | 120.0° |
| C17 | C22 | H221 | H222 | 120.0° | 120.0° |
| C17 | C22 | O33 | HOX | 180.0° | 179.9° |
| H17 | C17 | C18 | C19 | 65.7° | 56.1° |
| H17 | C17 | C18 | H181 | 173.2° | 176.1° |
| H17 | C17 | C18 | H182 | 55.4° | 63.8° |
| H17 | C17 | C22 | O33 | 162.1° | 175.1° |
| H17 | C17 | C22 | H221 | 42.1° | 65.0° |
| H17 | C17 | C22 | H222 | 77.9° | 55.1° |
| C19 | C18 | H181 | H182 | 116.5° | 119.9° |
| C18 | C19 | C20 | C21 | 124.4° | 120.0° |
| C18 | C19 | C20 | H19 | 117.8° | 119.9° |
| C18 | C19 | C21 | H19 | 118.1° | 119.9° |
| C18 | C19 | C20 | H201 | 180.0° | 175.1° |
| C18 | C19 | C20 | H202 | 60.0° | 55.0° |
| C18 | C19 | C20 | H203 | 60.0° | 65.0° |
| C18 | C19 | C21 | H211 | 180.0° | 60.0° |
| C18 | C19 | C21 | H212 | 60.0° | 180.0° |
| C18 | C19 | C21 | H213 | 60.0° | 60.1° |
| H181 | C18 | C19 | C20 | 96.3° | 54.8° |
| H181 | C18 | C19 | C21 | 27.6° | 174.9° |
| H181 | C18 | C19 | H19 | 145.7° | 65.2° |
| H182 | C18 | C19 | C20 | 21.5° | 65.1° |
| H182 | C18 | C19 | C21 | 145.4° | 54.9° |
| H182 | C18 | C19 | H19 | 96.5° | 174.9° |
| C20 | C19 | C21 | H19 | 117.9° | 120.0° |
| C19 | C20 | H201 | H202 | 120.0° | 120.1° |
| C19 | C20 | H201 | H203 | 120.0° | 119.9° |
| C19 | C20 | H202 | H203 | 120.0° | 120.0° |
| C20 | C19 | C21 | H211 | 55.9° | 180.0° |
| C20 | C19 | C21 | H212 | 176.0° | 60.0° |
| C20 | C19 | C21 | H213 | 64.1° | 60.0° |
| C21 | C19 | C20 | H201 | 55.6° | 64.9° |
| C21 | C19 | C20 | H202 | 64.4° | 175.1° |
| C21 | C19 | C20 | H203 | 175.7° | 55.1° |
| C19 | C21 | H211 | H212 | 120.0° | 119.9° |
| C19 | C21 | H211 | H213 | 120.0° | 120.0° |
| C19 | C21 | H212 | H213 | 120.0° | 120.0° |
| H19 | C19 | C20 | H201 | 62.2° | 55.1° |
| H19 | C19 | C20 | H202 | 177.8° | 64.9° |
| H19 | C19 | C20 | H203 | 57.9° | 175.1° |
| H19 | C19 | C21 | H211 | 61.9° | 59.9° |
| H19 | C19 | C21 | H212 | 58.1° | 60.0° |
| H19 | C19 | C21 | H213 | 178.1° | 180.0° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| H211 | C21 | H212 | H213 | 120.0° | 120.0° |
| O33 | C22 | H221 | H222 | 120.0° | 120.0° |
| H221 | C22 | O33 | HOX | 60.0° | 60.1° |
| H222 | C22 | O33 | HOX | 60.0° | 60.0° |
| C25 | C24 | H241 | H242 | 115.1° | 120.0° |
| C24 | C25 | C26 | C27 | 125.6° | 120.0° |
| C24 | C25 | C26 | H25 | 116.8° | 119.9° |
| C24 | C25 | C27 | H25 | 118.1° | 120.0° |
| C24 | C25 | C26 | H261 | 180.0° | 60.1° |
| C24 | C25 | C26 | H262 | 60.0° | 180.0° |
| C24 | C25 | C26 | H263 | 60.0° | 60.0° |
| C24 | C25 | C27 | H271 | 180.0° | 60.0° |
| C24 | C25 | C27 | H272 | 60.0° | 60.0° |
| C24 | C25 | C27 | H273 | 60.0° | 180.0° |
| H241 | C24 | C25 | C26 | 19.3° | 55.0° |
| H241 | C24 | C25 | C27 | 144.2° | 175.0° |
| H241 | C24 | C25 | H25 | 97.6° | 65.0° |
| H242 | C24 | C25 | C26 | 136.3° | 65.1° |
| H242 | C24 | C25 | C27 | 98.8° | 55.0° |
| H242 | C24 | C25 | H25 | 19.3° | 175.0° |
| C26 | C25 | C27 | H25 | 117.7° | 120.0° |
| C25 | C26 | H261 | H262 | 120.0° | 120.0° |
| C25 | C26 | H261 | H263 | 120.0° | 120.0° |
| C25 | C26 | H262 | H263 | 120.0° | 120.0° |
| C26 | C25 | C27 | H271 | 55.8° | 60.0° |
| C26 | C25 | C27 | H272 | 175.8° | 180.0° |
| C26 | C25 | C27 | H273 | 64.2° | 60.0° |
| C27 | C25 | C26 | H261 | 54.4° | 60.0° |
| C27 | C25 | C26 | H262 | 65.6° | 60.0° |
| C27 | C25 | C26 | H263 | 174.4° | 180.0° |
| C25 | C27 | H271 | H272 | 120.0° | 120.0° |
| C25 | C27 | H271 | H273 | 120.0° | 120.0° |
| C25 | C27 | H272 | H273 | 120.0° | 120.0° |
| H25 | C25 | C26 | H261 | 63.2° | 180.0° |
| H25 | C25 | C26 | H262 | 176.9° | 60.0° |
| H25 | C25 | C26 | H263 | 56.8° | 60.0° |
| H25 | C25 | C27 | H271 | 61.9° | 180.0° |
| H25 | C25 | C27 | H272 | 58.1° | 60.0° |
| H25 | C25 | C27 | H273 | 178.1° | 60.0° |
| H261 | C26 | H262 | H263 | 120.0° | 120.0° |
| H271 | C27 | H272 | H273 | 120.0° | 120.0° |
| C31 | C30 | H301 | H302 | 112.8° | 120.0° |
| C30 | C31 | C32 | C33 | 123.9° | 120.0° |
| C30 | C31 | C32 | H31 | 118.6° | 120.0° |
| C30 | C31 | C33 | H31 | 116.9° | 120.0° |
| C30 | C31 | C32 | H321 | 180.0° | 175.9° |
| C30 | C31 | C32 | H322 | 60.0° | 55.9° |
| C30 | C31 | C32 | H323 | 60.0° | 64.1° |
| C30 | C31 | C33 | H331 | 180.0° | 60.0° |
| C30 | C31 | C33 | H332 | 60.0° | 180.0° |
| C30 | C31 | C33 | H333 | 60.0° | 60.0° |
| H301 | C30 | C31 | C32 | 83.6° | 53.3° |
| H301 | C30 | C31 | C33 | 40.7° | 66.7° |
| H301 | C30 | C31 | H31 | 157.7° | 173.3° |
| H302 | C30 | C31 | C32 | 160.7° | 173.3° |
| H302 | C30 | C31 | C33 | 75.0° | 53.3° |
| H302 | C30 | C31 | H31 | 42.0° | 66.7° |
| C32 | C31 | C33 | H31 | 117.5° | 120.0° |
| C31 | C32 | H321 | H322 | 120.0° | 119.9° |
| C31 | C32 | H321 | H323 | 120.0° | 120.0° |
| C31 | C32 | H322 | H323 | 120.0° | 120.0° |
| C32 | C31 | C33 | H331 | 54.4° | 180.0° |
| C32 | C31 | C33 | H332 | 65.6° | 60.0° |
| C32 | C31 | C33 | H333 | 174.4° | 60.0° |
| C33 | C31 | C32 | H321 | 56.1° | 64.1° |
| C33 | C31 | C32 | H322 | 176.1° | 175.9° |
| C33 | C31 | C32 | H323 | 63.9° | 55.9° |
| C31 | C33 | H331 | H332 | 120.0° | 120.0° |
| C31 | C33 | H331 | H333 | 120.0° | 120.0° |
| C31 | C33 | H332 | H333 | 120.0° | 120.0° |
| H31 | C31 | C32 | H321 | 61.4° | 55.9° |
| H31 | C31 | C32 | H322 | 58.6° | 64.1° |
| H31 | C31 | C32 | H323 | 178.6° | 175.9° |
| H31 | C31 | C33 | H331 | 63.1° | 60.0° |
| H31 | C31 | C33 | H332 | 176.9° | 60.0° |
| H31 | C31 | C33 | H333 | 56.9° | 180.0° |
| H321 | C32 | H322 | H323 | 119.9° | 120.0° |
| H331 | C33 | H332 | H333 | 119.9° | 120.0° |
