FA4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | sing | 1.38Å | 1.43Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.38Å | 1.46Å | Aromatic |
| C3 | C7 | sing | 1.51Å | 1.53Å | |
| C4 | C5 | sing | 1.38Å | 1.44Å | Aromatic |
| C4 | C27 | sing | 1.51Å | 1.52Å | |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | C8 | sing | 1.53Å | 1.55Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C8 | C9 | sing | 1.53Å | 1.54Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.51Å | 1.52Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | N17 | sing | 1.35Å | 1.39Å | |
| C16 | O19 | doub | 1.21Å | 1.23Å | |
| N17 | C18 | sing | 1.46Å | 1.48Å | |
| N17 | H17 | sing | 0.97Å | 1.00Å | |
| C18 | C20 | sing | 1.53Å | 1.55Å | |
| C18 | C21 | sing | 1.51Å | 1.55Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | C23 | sing | 1.53Å | 1.55Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | N22 | sing | 1.35Å | 1.35Å | |
| C21 | O33 | doub | 1.21Å | 1.23Å | |
| N22 | O32 | sing | 1.42Å | 1.40Å | |
| N22 | H22 | sing | 0.97Å | 1.00Å | |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | N26 | sing | 1.47Å | 1.48Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| N26 | H261 | sing | 1.01Å | 1.00Å | |
| N26 | H262 | sing | 1.01Å | 1.00Å | |
| C27 | N28 | sing | 1.47Å | 1.54Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| N28 | C29 | sing | 1.37Å | 1.43Å | |
| N28 | H28 | sing | 0.97Å | 1.00Å | |
| C29 | N30 | sing | 1.38Å | 1.41Å | |
| C29 | N31 | doub | 1.30Å | 1.29Å | |
| N30 | H301 | sing | 0.97Å | 1.00Å | |
| N30 | H302 | sing | 0.97Å | 1.00Å | |
| N31 | H31 | sing | 0.97Å | 1.00Å | |
| O32 | H32 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.2° | 120.0° |
| C2 | C1 | H1 | 119.9° | 120.0° |
| C1 | C2 | C3 | 121.2° | 120.0° |
| C1 | C2 | H2 | 119.4° | 120.0° |
| C6 | C1 | H1 | 119.9° | 120.0° |
| C1 | C6 | C5 | 120.2° | 120.0° |
| C1 | C6 | H6 | 119.9° | 120.0° |
| C3 | C2 | H2 | 119.4° | 120.0° |
| C2 | C3 | C4 | 118.5° | 120.0° |
| C2 | C3 | C7 | 116.5° | 120.0° |
| C4 | C3 | C7 | 124.9° | 120.0° |
| C3 | C4 | C5 | 119.0° | 120.0° |
| C3 | C4 | C27 | 123.1° | 120.0° |
| C3 | C7 | C8 | 110.9° | 109.5° |
| C3 | C7 | H71 | 108.7° | 109.5° |
| C3 | C7 | H72 | 109.0° | 109.4° |
| C5 | C4 | C27 | 117.9° | 120.0° |
| C4 | C5 | C6 | 120.9° | 120.0° |
| C4 | C5 | H5 | 119.6° | 120.0° |
| C4 | C27 | N28 | 111.0° | 109.5° |
| C4 | C27 | H271 | 108.6° | 109.4° |
| C4 | C27 | H272 | 109.0° | 109.5° |
| C6 | C5 | H5 | 119.6° | 120.0° |
| C5 | C6 | H6 | 119.9° | 120.0° |
| C8 | C7 | H71 | 108.7° | 109.5° |
| C8 | C7 | H72 | 109.0° | 109.5° |
| C7 | C8 | C9 | 114.8° | 109.5° |
| C7 | C8 | H81 | 106.5° | 109.5° |
| C7 | C8 | H82 | 107.7° | 109.4° |
| H71 | C7 | H72 | 110.6° | 109.5° |
| C9 | C8 | H81 | 106.5° | 109.5° |
| C9 | C8 | H82 | 107.7° | 109.5° |
| C8 | C9 | C10 | 115.6° | 109.4° |
| C8 | C9 | H91 | 106.0° | 109.5° |
| C8 | C9 | H92 | 107.5° | 109.4° |
| H81 | C8 | H82 | 113.8° | 109.5° |
| C10 | C9 | H91 | 106.1° | 109.5° |
| C10 | C9 | H92 | 107.5° | 109.5° |
| C9 | C10 | C11 | 115.7° | 109.4° |
| C9 | C10 | H101 | 106.0° | 109.5° |
| C9 | C10 | H102 | 107.4° | 109.4° |
| H91 | C9 | H92 | 114.4° | 109.5° |
| C11 | C10 | H101 | 106.1° | 109.5° |
| C11 | C10 | H102 | 107.5° | 109.5° |
| C10 | C11 | C12 | 108.3° | 109.5° |
| C10 | C11 | H111 | 110.1° | 109.5° |
| C10 | C11 | H112 | 109.9° | 109.5° |
| H101 | C10 | H102 | 114.5° | 109.5° |
| C12 | C11 | H111 | 110.1° | 109.4° |
| C12 | C11 | H112 | 109.9° | 109.5° |
| C11 | C12 | C13 | 114.0° | 109.5° |
| C11 | C12 | H121 | 107.0° | 109.4° |
| C11 | C12 | H122 | 108.0° | 109.5° |
| H111 | C11 | H112 | 108.6° | 109.4° |
| C13 | C12 | H121 | 107.0° | 109.5° |
| C13 | C12 | H122 | 108.0° | 109.4° |
| C12 | C13 | C14 | 111.8° | 109.5° |
| C12 | C13 | H131 | 108.2° | 109.5° |
| C12 | C13 | H132 | 108.7° | 109.4° |
| H121 | C12 | H122 | 113.0° | 109.5° |
| C14 | C13 | H131 | 108.2° | 109.4° |
| C14 | C13 | H132 | 108.7° | 109.5° |
| C13 | C14 | C15 | 113.5° | 109.5° |
| C13 | C14 | H141 | 107.3° | 109.4° |
| C13 | C14 | H142 | 108.1° | 109.5° |
| H131 | C13 | H132 | 111.3° | 109.5° |
| C15 | C14 | H141 | 107.2° | 109.5° |
| C15 | C14 | H142 | 108.2° | 109.5° |
| C14 | C15 | C16 | 114.0° | 109.5° |
| C14 | C15 | H151 | 106.9° | 109.5° |
| C14 | C15 | H152 | 108.0° | 109.5° |
| H141 | C14 | H142 | 112.6° | 109.4° |
| C16 | C15 | H151 | 107.0° | 109.4° |
| C16 | C15 | H152 | 108.0° | 109.5° |
| C15 | C16 | N17 | 113.3° | 120.0° |
| C15 | C16 | O19 | 123.7° | 120.0° |
| H151 | C15 | H152 | 113.1° | 109.5° |
| N17 | C16 | O19 | 123.0° | 120.0° |
| C16 | N17 | C18 | 125.1° | 120.1° |
| C16 | N17 | H17 | 117.4° | 120.0° |
| C18 | N17 | H17 | 117.5° | 120.0° |
| N17 | C18 | C20 | 106.8° | 109.5° |
| N17 | C18 | C21 | 108.3° | 109.5° |
| N17 | C18 | H18 | 112.5° | 109.4° |
| C20 | C18 | C21 | 110.9° | 109.5° |
| C20 | C18 | H18 | 109.9° | 109.5° |
| C18 | C20 | C23 | 113.7° | 109.4° |
| C18 | C20 | H201 | 107.1° | 109.5° |
| C18 | C20 | H202 | 108.1° | 109.4° |
| C21 | C18 | H18 | 108.5° | 109.5° |
| C18 | C21 | N22 | 115.5° | 120.0° |
| C18 | C21 | O33 | 123.8° | 120.0° |
| C23 | C20 | H201 | 107.1° | 109.5° |
| C23 | C20 | H202 | 108.1° | 109.5° |
| C20 | C23 | C24 | 118.6° | 109.4° |
| C20 | C23 | H231 | 104.4° | 109.5° |
| C20 | C23 | H232 | 106.5° | 109.5° |
| H201 | C20 | H202 | 112.8° | 109.5° |
| N22 | C21 | O33 | 120.7° | 120.0° |
| C21 | N22 | O32 | 117.5° | 120.0° |
| C21 | N22 | H22 | 121.3° | 120.1° |
| O32 | N22 | H22 | 121.2° | 119.9° |
| N22 | O32 | H32 | 109.5° | 106.8° |
| C24 | C23 | H231 | 104.4° | 109.4° |
| C24 | C23 | H232 | 106.6° | 109.5° |
| C23 | C24 | C25 | 113.5° | 109.5° |
| C23 | C24 | H241 | 107.2° | 109.4° |
| C23 | C24 | H242 | 108.1° | 109.5° |
| H231 | C23 | H232 | 117.0° | 109.5° |
| C25 | C24 | H241 | 107.2° | 109.5° |
| C25 | C24 | H242 | 108.1° | 109.4° |
| C24 | C25 | N26 | 110.9° | 109.5° |
| C24 | C25 | H251 | 108.7° | 109.4° |
| C24 | C25 | H252 | 109.0° | 109.4° |
| H241 | C24 | H242 | 112.7° | 109.5° |
| N26 | C25 | H251 | 108.7° | 109.6° |
| N26 | C25 | H252 | 109.0° | 109.5° |
| C25 | N26 | H261 | 109.5° | 106.7° |
| C25 | N26 | H262 | 109.5° | 106.7° |
| H251 | C25 | H252 | 110.6° | 109.5° |
| H261 | N26 | H262 | 109.5° | 106.8° |
| N28 | C27 | H271 | 108.7° | 109.4° |
| N28 | C27 | H272 | 109.0° | 109.4° |
| C27 | N28 | C29 | 118.8° | 120.0° |
| C27 | N28 | H28 | 120.6° | 120.0° |
| H271 | C27 | H272 | 110.7° | 109.5° |
| C29 | N28 | H28 | 120.6° | 120.0° |
| N28 | C29 | N30 | 120.3° | 120.0° |
| N28 | C29 | N31 | 120.6° | 120.0° |
| N30 | C29 | N31 | 119.1° | 120.0° |
| C29 | N30 | H301 | 125.8° | 120.0° |
| C29 | N30 | H302 | 108.3° | 120.0° |
| C29 | N31 | H31 | 108.3° | 120.0° |
| H301 | N30 | H302 | 125.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.2° | 0.2° |
| C1 | C2 | C3 | C7 | 179.7° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.1° |
| C2 | C1 | C6 | H6 | 179.9° | 179.9° |
| C6 | C1 | C2 | C3 | 0.0° | 0.0° |
| C6 | C1 | C2 | H2 | 180.0° | 180.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.2° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | H5 | 180.0° | 180.0° |
| H1 | C1 | C2 | C3 | 180.0° | 180.0° |
| H1 | C1 | C2 | H2 | 0.0° | 0.1° |
| H1 | C1 | C6 | C5 | 179.9° | 180.0° |
| H1 | C1 | C6 | H6 | 0.1° | 0.0° |
| C2 | C3 | C4 | C7 | 179.8° | 179.8° |
| C2 | C3 | C4 | C5 | 0.3° | 0.5° |
| C2 | C3 | C4 | C27 | 179.6° | 180.0° |
| C2 | C3 | C7 | C8 | 90.1° | 95.0° |
| C2 | C3 | C7 | H71 | 29.3° | 145.0° |
| C2 | C3 | C7 | H72 | 149.9° | 25.0° |
| H2 | C2 | C3 | C4 | 179.8° | 179.7° |
| H2 | C2 | C3 | C7 | 0.4° | 0.0° |
| C3 | C4 | C5 | C27 | 179.9° | 179.6° |
| C3 | C4 | C5 | C6 | 0.2° | 0.4° |
| C3 | C4 | C5 | H5 | 179.8° | 179.7° |
| C4 | C3 | C7 | C8 | 89.7° | 84.8° |
| C4 | C3 | C7 | H71 | 150.9° | 35.3° |
| C4 | C3 | C7 | H72 | 30.3° | 155.3° |
| C3 | C4 | C27 | N28 | 140.4° | 79.6° |
| C3 | C4 | C27 | H271 | 100.2° | 160.5° |
| C3 | C4 | C27 | H272 | 20.4° | 40.4° |
| C7 | C3 | C4 | C5 | 179.5° | 179.8° |
| C7 | C3 | C4 | C27 | 0.6° | 0.2° |
| C3 | C7 | C8 | H71 | 119.4° | 120.0° |
| C3 | C7 | C8 | H72 | 120.0° | 120.0° |
| C3 | C7 | H71 | H72 | 119.6° | 120.0° |
| C3 | C7 | C8 | C9 | 170.9° | 180.0° |
| C3 | C7 | C8 | H81 | 53.3° | 60.0° |
| C3 | C7 | C8 | H82 | 69.1° | 60.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | H6 | 180.0° | 179.9° |
| C5 | C4 | C27 | N28 | 39.5° | 100.0° |
| C5 | C4 | C27 | H271 | 79.9° | 19.9° |
| C5 | C4 | C27 | H272 | 159.4° | 140.0° |
| C27 | C4 | C5 | C6 | 179.7° | 180.0° |
| C27 | C4 | C5 | H5 | 0.3° | 0.1° |
| C4 | C27 | N28 | H271 | 119.4° | 120.0° |
| C4 | C27 | N28 | H272 | 120.0° | 120.0° |
| C4 | C27 | H271 | H272 | 119.6° | 120.0° |
| C4 | C27 | N28 | C29 | 99.5° | 180.0° |
| C4 | C27 | N28 | H28 | 80.5° | 0.0° |
| H5 | C5 | C6 | H6 | 0.0° | 0.0° |
| C8 | C7 | H71 | H72 | 119.6° | 120.0° |
| C7 | C8 | C9 | H81 | 117.6° | 120.0° |
| C7 | C8 | C9 | H82 | 120.0° | 119.9° |
| C7 | C8 | H81 | H82 | 118.5° | 119.9° |
| C7 | C8 | C9 | C10 | 61.6° | 180.0° |
| C7 | C8 | C9 | H91 | 178.8° | 60.0° |
| C7 | C8 | C9 | H92 | 58.4° | 60.0° |
| H71 | C7 | C8 | C9 | 69.7° | 60.0° |
| H71 | C7 | C8 | H81 | 172.7° | 180.0° |
| H71 | C7 | C8 | H82 | 50.3° | 60.0° |
| H72 | C7 | C8 | C9 | 50.9° | 60.0° |
| H72 | C7 | C8 | H81 | 66.7° | 60.0° |
| H72 | C7 | C8 | H82 | 170.9° | 180.0° |
| C9 | C8 | H81 | H82 | 118.5° | 120.0° |
| C8 | C9 | C10 | H91 | 117.2° | 120.0° |
| C8 | C9 | C10 | H92 | 120.0° | 119.9° |
| C8 | C9 | H91 | H92 | 118.3° | 120.0° |
| C8 | C9 | C10 | C11 | 159.7° | 180.0° |
| C8 | C9 | C10 | H101 | 83.1° | 60.0° |
| C8 | C9 | C10 | H102 | 39.7° | 60.0° |
| H81 | C8 | C9 | C10 | 56.0° | 60.0° |
| H81 | C8 | C9 | H91 | 61.2° | 180.0° |
| H81 | C8 | C9 | H92 | 176.0° | 60.0° |
| H82 | C8 | C9 | C10 | 178.4° | 60.0° |
| H82 | C8 | C9 | H91 | 61.2° | 60.0° |
| H82 | C8 | C9 | H92 | 61.6° | 180.0° |
| C10 | C9 | H91 | H92 | 118.3° | 120.0° |
| C9 | C10 | C11 | H101 | 117.2° | 120.0° |
| C9 | C10 | C11 | H102 | 120.0° | 120.0° |
| C9 | C10 | H101 | H102 | 118.2° | 120.0° |
| C9 | C10 | C11 | C12 | 155.5° | 180.0° |
| C9 | C10 | C11 | H111 | 84.0° | 60.0° |
| C9 | C10 | C11 | H112 | 35.5° | 60.0° |
| H91 | C9 | C10 | C11 | 42.5° | 60.0° |
| H91 | C9 | C10 | H101 | 159.7° | NaN° |
| H91 | C9 | C10 | H102 | 77.5° | 60.0° |
| H92 | C9 | C10 | C11 | 80.3° | 60.0° |
| H92 | C9 | C10 | H101 | 36.9° | 60.0° |
| H92 | C9 | C10 | H102 | 159.7° | 180.0° |
| C11 | C10 | H101 | H102 | 118.3° | 120.1° |
| C10 | C11 | C12 | H111 | 120.5° | 120.0° |
| C10 | C11 | C12 | H112 | 120.0° | 120.1° |
| C10 | C11 | H111 | H112 | 120.3° | 120.0° |
| C10 | C11 | C12 | C13 | 179.0° | 180.0° |
| C10 | C11 | C12 | H121 | 63.0° | 60.0° |
| C10 | C11 | C12 | H122 | 59.0° | 60.0° |
| H101 | C10 | C11 | C12 | 38.4° | 60.0° |
| H101 | C10 | C11 | H111 | 158.8° | 180.0° |
| H101 | C10 | C11 | H112 | 81.6° | 60.0° |
| H102 | C10 | C11 | C12 | 84.5° | 60.0° |
| H102 | C10 | C11 | H111 | 36.0° | 59.9° |
| H102 | C10 | C11 | H112 | 155.5° | 179.9° |
| C12 | C11 | H111 | H112 | 120.3° | 120.0° |
| C11 | C12 | C13 | H121 | 118.0° | 120.0° |
| C11 | C12 | C13 | H122 | 120.0° | 120.0° |
| C11 | C12 | H121 | H122 | 118.8° | 120.0° |
| C11 | C12 | C13 | C14 | 99.8° | NaN° |
| C11 | C12 | C13 | H131 | 141.2° | 60.0° |
| C11 | C12 | C13 | H132 | 20.2° | 60.0° |
| H111 | C11 | C12 | C13 | 58.6° | 60.0° |
| H111 | C11 | C12 | H121 | 176.6° | 180.0° |
| H111 | C11 | C12 | H122 | 61.4° | 60.0° |
| H112 | C11 | C12 | C13 | 61.0° | 60.0° |
| H112 | C11 | C12 | H121 | 57.0° | 60.0° |
| H112 | C11 | C12 | H122 | 179.0° | 180.0° |
| C13 | C12 | H121 | H122 | 118.7° | 120.0° |
| C12 | C13 | C14 | H131 | 119.0° | 120.0° |
| C12 | C13 | C14 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H132 | 119.3° | 120.0° |
| C12 | C13 | C14 | C15 | 179.8° | 180.0° |
| C12 | C13 | C14 | H141 | 61.9° | 60.0° |
| C12 | C13 | C14 | H142 | 59.8° | 59.9° |
| H121 | C12 | C13 | C14 | 18.3° | 60.0° |
| H121 | C12 | C13 | H131 | 100.8° | 180.0° |
| H121 | C12 | C13 | H132 | 138.3° | 60.0° |
| H122 | C12 | C13 | C14 | 140.2° | 60.0° |
| H122 | C12 | C13 | H131 | 21.2° | 60.0° |
| H122 | C12 | C13 | H132 | 99.8° | NaN° |
| C14 | C13 | H131 | H132 | 119.4° | 120.0° |
| C13 | C14 | C15 | H141 | 118.3° | 120.0° |
| C13 | C14 | C15 | H142 | 120.0° | 120.1° |
| C13 | C14 | H141 | H142 | 118.9° | 120.0° |
| C13 | C14 | C15 | C16 | 57.6° | 180.0° |
| C13 | C14 | C15 | H151 | 175.6° | 60.0° |
| C13 | C14 | C15 | H152 | 62.4° | 60.0° |
| H131 | C13 | C14 | C15 | 60.8° | 60.0° |
| H131 | C13 | C14 | H141 | 179.0° | 180.0° |
| H131 | C13 | C14 | H142 | 59.2° | 60.1° |
| H132 | C13 | C14 | C15 | 60.2° | 60.0° |
| H132 | C13 | C14 | H141 | 58.1° | 60.0° |
| H132 | C13 | C14 | H142 | 179.8° | 180.0° |
| C15 | C14 | H141 | H142 | 118.9° | 120.0° |
| C14 | C15 | C16 | H151 | 118.0° | 120.0° |
| C14 | C15 | C16 | H152 | 120.0° | 120.0° |
| C14 | C15 | H151 | H152 | 118.8° | 120.0° |
| C14 | C15 | C16 | N17 | 102.2° | 180.0° |
| C14 | C15 | C16 | O19 | 77.6° | 0.0° |
| H141 | C14 | C15 | C16 | 60.7° | 60.0° |
| H141 | C14 | C15 | H151 | 57.3° | 180.0° |
| H141 | C14 | C15 | H152 | 179.3° | 60.0° |
| H142 | C14 | C15 | C16 | 177.6° | 59.9° |
| H142 | C14 | C15 | H151 | 64.4° | 60.1° |
| H142 | C14 | C15 | H152 | 57.6° | 179.9° |
| C16 | C15 | H151 | H152 | 118.7° | 120.0° |
| C15 | C16 | N17 | O19 | 179.8° | 179.9° |
| C15 | C16 | N17 | C18 | 179.9° | 180.0° |
| C15 | C16 | N17 | H17 | 0.1° | 0.1° |
| H151 | C15 | C16 | N17 | 139.8° | 60.0° |
| H151 | C15 | C16 | O19 | 40.4° | 120.0° |
| H152 | C15 | C16 | N17 | 17.8° | 60.0° |
| H152 | C15 | C16 | O19 | 162.4° | 120.0° |
| C16 | N17 | C18 | H17 | 180.0° | 180.0° |
| C16 | N17 | C18 | C20 | 148.1° | 155.0° |
| C16 | N17 | C18 | C21 | 92.4° | 85.0° |
| C16 | N17 | C18 | H18 | 27.5° | 35.0° |
| O19 | C16 | N17 | C18 | 0.4° | 0.0° |
| O19 | C16 | N17 | H17 | 179.7° | 180.0° |
| N17 | C18 | C20 | C21 | 117.8° | 120.0° |
| N17 | C18 | C20 | H18 | 122.3° | 120.0° |
| N17 | C18 | C21 | H18 | 122.3° | 120.0° |
| N17 | C18 | C20 | C23 | 157.9° | 65.0° |
| N17 | C18 | C20 | H201 | 39.7° | 55.0° |
| N17 | C18 | C20 | H202 | 82.1° | 175.0° |
| N17 | C18 | C21 | N22 | 65.9° | 180.0° |
| N17 | C18 | C21 | O33 | 115.1° | 0.0° |
| H17 | N17 | C18 | C20 | 31.9° | 25.0° |
| H17 | N17 | C18 | C21 | 87.6° | 95.0° |
| H17 | N17 | C18 | H18 | 152.5° | 145.0° |
| C20 | C18 | C21 | H18 | 120.8° | 120.0° |
| C18 | C20 | C23 | H201 | 118.1° | 120.0° |
| C18 | C20 | C23 | H202 | 120.0° | 120.0° |
| C18 | C20 | H201 | H202 | 118.9° | 120.0° |
| C20 | C18 | C21 | N22 | 177.2° | 60.0° |
| C20 | C18 | C21 | O33 | 1.7° | 120.0° |
| C18 | C20 | C23 | C24 | 106.7° | 180.0° |
| C18 | C20 | C23 | H231 | 9.0° | 60.0° |
| C18 | C20 | C23 | H232 | 133.3° | 60.0° |
| C21 | C18 | C20 | C23 | 84.4° | 175.0° |
| C21 | C18 | C20 | H201 | 157.5° | 65.0° |
| C21 | C18 | C20 | H202 | 35.6° | 55.0° |
| C18 | C21 | N22 | O33 | 179.0° | 180.0° |
| C18 | C21 | N22 | O32 | 178.6° | 180.0° |
| C18 | C21 | N22 | H22 | 1.4° | 0.0° |
| H18 | C18 | C20 | C23 | 35.6° | 55.0° |
| H18 | C18 | C20 | H201 | 82.6° | 175.0° |
| H18 | C18 | C20 | H202 | 155.6° | 65.0° |
| H18 | C18 | C21 | N22 | 56.4° | 60.0° |
| H18 | C18 | C21 | O33 | 122.5° | 120.0° |
| C23 | C20 | H201 | H202 | 118.8° | 120.1° |
| C20 | C23 | C24 | H231 | 115.6° | 120.0° |
| C20 | C23 | C24 | H232 | 120.0° | 120.0° |
| C20 | C23 | H231 | H232 | 117.4° | 120.0° |
| C20 | C23 | C24 | C25 | 145.8° | 180.0° |
| C20 | C23 | C24 | H241 | 27.6° | 60.0° |
| C20 | C23 | C24 | H242 | 94.1° | 60.0° |
| H201 | C20 | C23 | C24 | 135.2° | 60.1° |
| H201 | C20 | C23 | H231 | 109.2° | 180.0° |
| H201 | C20 | C23 | H232 | 15.2° | 60.0° |
| H202 | C20 | C23 | C24 | 13.3° | 60.0° |
| H202 | C20 | C23 | H231 | 129.0° | 59.9° |
| H202 | C20 | C23 | H232 | 106.7° | 179.9° |
| C21 | N22 | O32 | H22 | 180.0° | 180.0° |
| C21 | N22 | O32 | H32 | 53.7° | 180.0° |
| O33 | C21 | N22 | O32 | 0.3° | 0.0° |
| O33 | C21 | N22 | H22 | 179.7° | 180.0° |
| H22 | N22 | O32 | H32 | 126.3° | 0.0° |
| C24 | C23 | H231 | H232 | 117.5° | 120.1° |
| C23 | C24 | C25 | H241 | 118.2° | 120.0° |
| C23 | C24 | C25 | H242 | 120.0° | 120.1° |
| C23 | C24 | H241 | H242 | 118.9° | 120.1° |
| C23 | C24 | C25 | N26 | 111.7° | 179.9° |
| C23 | C24 | C25 | H251 | 7.7° | 60.0° |
| C23 | C24 | C25 | H252 | 128.3° | 60.0° |
| H231 | C23 | C24 | C25 | 98.5° | 60.0° |
| H231 | C23 | C24 | H241 | 143.3° | 180.0° |
| H231 | C23 | C24 | H242 | 21.5° | 60.0° |
| H232 | C23 | C24 | C25 | 25.9° | 60.0° |
| H232 | C23 | C24 | H241 | 92.3° | 60.0° |
| H232 | C23 | C24 | H242 | 145.9° | 180.0° |
| C25 | C24 | H241 | H242 | 118.9° | 120.0° |
| C24 | C25 | N26 | H251 | 119.4° | 120.0° |
| C24 | C25 | N26 | H252 | 120.0° | 119.9° |
| C24 | C25 | H251 | H252 | 119.6° | 119.9° |
| C24 | C25 | N26 | H261 | 96.1° | 66.2° |
| C24 | C25 | N26 | H262 | 144.0° | 180.0° |
| H241 | C24 | C25 | N26 | 130.1° | 60.0° |
| H241 | C24 | C25 | H251 | 110.5° | 179.9° |
| H241 | C24 | C25 | H252 | 10.1° | 60.0° |
| H242 | C24 | C25 | N26 | 8.3° | 60.0° |
| H242 | C24 | C25 | H251 | 127.7° | 60.1° |
| H242 | C24 | C25 | H252 | 111.7° | 180.0° |
| N26 | C25 | H251 | H252 | 119.6° | 120.0° |
| C25 | N26 | H261 | H262 | 120.0° | 113.8° |
| H251 | C25 | N26 | H261 | 23.4° | 173.8° |
| H251 | C25 | N26 | H262 | 96.6° | 60.0° |
| H252 | C25 | N26 | H261 | 144.0° | 53.8° |
| H252 | C25 | N26 | H262 | 24.0° | 60.1° |
| N28 | C27 | H271 | H272 | 119.6° | 120.0° |
| C27 | N28 | C29 | H28 | 180.0° | 180.0° |
| C27 | N28 | C29 | N30 | 14.4° | 0.0° |
| C27 | N28 | C29 | N31 | 166.1° | 179.9° |
| H271 | C27 | N28 | C29 | 141.1° | 60.0° |
| H271 | C27 | N28 | H28 | 38.9° | 120.0° |
| H272 | C27 | N28 | C29 | 20.5° | 60.0° |
| H272 | C27 | N28 | H28 | 159.5° | 120.0° |
| N28 | C29 | N30 | N31 | 179.6° | 179.9° |
| N28 | C29 | N30 | H301 | 0.0° | 180.0° |
| N28 | C29 | N30 | H302 | 180.0° | 0.1° |
| N28 | C29 | N31 | H31 | 0.2° | 180.0° |
| H28 | N28 | C29 | N30 | 165.6° | 180.0° |
| H28 | N28 | C29 | N31 | 13.9° | 0.1° |
| C29 | N30 | H301 | H302 | 179.9° | 180.0° |
| N30 | C29 | N31 | H31 | 179.8° | 0.1° |
| N31 | C29 | N30 | H301 | 179.5° | 0.1° |
| N31 | C29 | N30 | H302 | 0.4° | 180.0° |
