BAX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.39Å | 1.37Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.36Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | N12 | sing | 1.40Å | 1.41Å | |
| C3 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C13 | N12 | sing | 1.35Å | 1.55Å | |
| C13 | N14 | sing | 1.35Å | 1.42Å | |
| C13 | O15 | doub | 1.22Å | 1.21Å | |
| C16 | C17 | doub | 1.39Å | 1.47Å | Aromatic |
| C16 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | N14 | sing | 1.40Å | 1.58Å | |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| C19 | O22 | sing | 1.36Å | 1.37Å | |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| O22 | C23 | sing | 1.36Å | 1.41Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.48Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | N26 | sing | 1.32Å | 1.46Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | sing | 1.39Å | 1.34Å | Aromatic |
| C27 | N26 | doub | 1.33Å | 1.42Å | Aromatic |
| C27 | C29 | sing | 1.48Å | 1.56Å | |
| C28 | C23 | doub | 1.39Å | 1.34Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| N30 | C31 | sing | 1.47Å | 1.43Å | |
| N30 | C29 | sing | 1.35Å | 1.48Å | |
| N30 | H30 | sing | 0.97Å | 1.02Å | |
| C31 | H311 | sing | 1.09Å | 1.12Å | |
| C31 | H312 | sing | 1.09Å | 1.11Å | |
| C31 | H313 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | doub | 1.38Å | 1.45Å | Aromatic |
| C5 | CL11 | sing | 1.74Å | 1.79Å | |
| C6 | C7 | sing | 1.51Å | 1.39Å | |
| C7 | F8 | sing | 1.40Å | 1.33Å | |
| C7 | F9 | sing | 1.40Å | 1.33Å | |
| C7 | F10 | sing | 1.40Å | 1.34Å | |
| N12 | H12 | sing | 0.97Å | 1.02Å | |
| N14 | H14 | sing | 0.97Å | 1.02Å | |
| C29 | O32 | doub | 1.22Å | 1.28Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.8° | 120.0° |
| C2 | C1 | H1 | 119.1° | 120.0° |
| C1 | C2 | C3 | 121.7° | 119.9° |
| C1 | C2 | N12 | 115.5° | 120.1° |
| C6 | C1 | H1 | 119.1° | 120.0° |
| C1 | C6 | C5 | 117.1° | 120.0° |
| C1 | C6 | C7 | 118.6° | 120.0° |
| C3 | C2 | N12 | 122.8° | 120.1° |
| C2 | C3 | C4 | 119.0° | 120.0° |
| C2 | C3 | H3 | 120.5° | 120.0° |
| C2 | N12 | C13 | 143.8° | 120.0° |
| C2 | N12 | H12 | 108.1° | 120.0° |
| C4 | C3 | H3 | 120.5° | 120.1° |
| C3 | C4 | C5 | 119.8° | 120.0° |
| C3 | C4 | H4 | 120.1° | 119.9° |
| C5 | C4 | H4 | 120.1° | 120.0° |
| C4 | C5 | C6 | 120.5° | 120.1° |
| C4 | C5 | CL11 | 116.4° | 119.9° |
| N12 | C13 | N14 | 125.0° | 120.0° |
| N12 | C13 | O15 | 111.5° | 120.0° |
| C13 | N12 | H12 | 108.1° | 120.0° |
| N14 | C13 | O15 | 119.5° | 120.0° |
| C13 | N14 | C16 | 123.6° | 120.0° |
| C13 | N14 | H14 | 118.2° | 120.1° |
| C17 | C16 | C21 | 119.2° | 120.0° |
| C17 | C16 | N14 | 121.3° | 120.0° |
| C16 | C17 | C18 | 118.9° | 120.0° |
| C16 | C17 | H17 | 120.6° | 120.0° |
| C21 | C16 | N14 | 119.4° | 120.0° |
| C16 | C21 | C20 | 119.8° | 120.0° |
| C16 | C21 | H21 | 120.1° | 120.0° |
| C16 | N14 | H14 | 118.2° | 119.9° |
| C18 | C17 | H17 | 120.5° | 120.1° |
| C17 | C18 | C19 | 120.3° | 120.0° |
| C17 | C18 | H18 | 119.8° | 120.0° |
| C19 | C18 | H18 | 119.8° | 120.0° |
| C18 | C19 | C20 | 120.7° | 120.0° |
| C18 | C19 | O22 | 119.2° | 120.0° |
| C20 | C19 | O22 | 120.1° | 120.0° |
| C19 | C20 | C21 | 121.1° | 120.0° |
| C19 | C20 | H20 | 119.4° | 119.9° |
| C19 | O22 | C23 | 119.7° | 106.8° |
| C21 | C20 | H20 | 119.5° | 120.1° |
| C20 | C21 | H21 | 120.1° | 119.9° |
| O22 | C23 | C24 | 127.3° | 120.8° |
| O22 | C23 | C28 | 111.7° | 120.8° |
| C25 | C24 | C23 | 117.7° | 119.3° |
| C25 | C24 | H24 | 121.1° | 120.4° |
| C24 | C25 | N26 | 118.3° | 121.0° |
| C24 | C25 | H25 | 120.8° | 119.5° |
| C23 | C24 | H24 | 121.1° | 120.3° |
| C24 | C23 | C28 | 120.9° | 118.4° |
| N26 | C25 | H25 | 120.8° | 119.5° |
| C25 | N26 | C27 | 120.1° | 121.8° |
| C28 | C27 | N26 | 119.7° | 120.6° |
| C28 | C27 | C29 | 115.8° | 119.7° |
| C27 | C28 | C23 | 123.2° | 119.0° |
| C27 | C28 | H28 | 118.4° | 120.4° |
| N26 | C27 | C29 | 124.4° | 119.7° |
| C27 | C29 | N30 | 124.9° | 120.0° |
| C27 | C29 | O32 | 115.6° | 120.0° |
| C23 | C28 | H28 | 118.4° | 120.6° |
| C31 | N30 | C29 | 112.3° | 120.0° |
| C31 | N30 | H30 | 123.9° | 120.0° |
| N30 | C31 | H311 | 112.3° | 109.5° |
| N30 | C31 | H312 | 111.2° | 109.5° |
| N30 | C31 | H313 | 111.2° | 109.4° |
| C29 | N30 | H30 | 123.8° | 120.0° |
| N30 | C29 | O32 | 111.4° | 120.0° |
| H311 | C31 | H312 | 111.2° | 109.4° |
| H311 | C31 | H313 | 111.2° | 109.4° |
| H312 | C31 | H313 | 99.1° | 109.6° |
| C6 | C5 | CL11 | 123.1° | 120.0° |
| C5 | C6 | C7 | 124.3° | 119.9° |
| C6 | C7 | F8 | 111.0° | 109.4° |
| C6 | C7 | F9 | 108.2° | 109.6° |
| C6 | C7 | F10 | 114.0° | 109.4° |
| F8 | C7 | F9 | 109.9° | 109.5° |
| F8 | C7 | F10 | 107.1° | 109.4° |
| F9 | C7 | F10 | 106.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.5° |
| C1 | C2 | C3 | N12 | 179.4° | 179.8° |
| C1 | C2 | C3 | C4 | 0.4° | 0.2° |
| C1 | C2 | C3 | H3 | 179.6° | 179.8° |
| C1 | C2 | N12 | C13 | 53.1° | 145.9° |
| C2 | C1 | C6 | C5 | 0.4° | 0.6° |
| C2 | C1 | C6 | C7 | 179.7° | 179.8° |
| C1 | C2 | N12 | H12 | 127.0° | 34.2° |
| C6 | C1 | C2 | C3 | 0.5° | 0.5° |
| C6 | C1 | C2 | N12 | 179.0° | 179.7° |
| C1 | C6 | C5 | C4 | 0.4° | 0.3° |
| C1 | C6 | C5 | C7 | 179.9° | 179.6° |
| C1 | C6 | C5 | CL11 | 179.8° | 179.7° |
| C1 | C6 | C7 | F8 | 119.4° | 120.3° |
| C1 | C6 | C7 | F9 | 120.0° | 119.7° |
| C1 | C6 | C7 | F10 | 1.6° | 0.4° |
| H1 | C1 | C2 | C3 | 179.5° | 180.0° |
| H1 | C1 | C2 | N12 | 1.0° | 0.2° |
| H1 | C1 | C6 | C5 | 179.6° | 180.0° |
| H1 | C1 | C6 | C7 | 0.3° | 0.4° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.4° | 0.1° |
| C2 | C3 | C4 | H4 | 179.6° | 180.0° |
| C3 | C2 | N12 | C13 | 126.4° | 34.3° |
| C3 | C2 | N12 | H12 | 53.6° | 145.6° |
| N12 | C2 | C3 | C4 | 179.0° | 179.9° |
| N12 | C2 | C3 | H3 | 1.0° | 0.0° |
| C2 | N12 | C13 | H12 | 180.0° | 179.9° |
| C2 | N12 | C13 | N14 | 174.8° | 174.0° |
| C2 | N12 | C13 | O15 | 27.8° | 6.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.4° | 0.0° |
| C3 | C4 | C5 | CL11 | 179.8° | 180.0° |
| H3 | C3 | C4 | C5 | 179.6° | 179.9° |
| H3 | C3 | C4 | H4 | 0.4° | 0.1° |
| C4 | C5 | C6 | CL11 | 179.4° | 180.0° |
| C4 | C5 | C6 | C7 | 179.7° | 179.9° |
| H4 | C4 | C5 | C6 | 179.6° | 179.9° |
| H4 | C4 | C5 | CL11 | 0.1° | 0.1° |
| N12 | C13 | N14 | O15 | 155.7° | 180.0° |
| N12 | C13 | N14 | C16 | 177.2° | 176.0° |
| N12 | C13 | N14 | H14 | 2.8° | 4.0° |
| C13 | N14 | C16 | C17 | 163.9° | 144.7° |
| C13 | N14 | C16 | C21 | 18.1° | 35.2° |
| C13 | N14 | C16 | H14 | 180.0° | 180.0° |
| N14 | C13 | N12 | H12 | 5.2° | 5.9° |
| O15 | C13 | N14 | C16 | 21.5° | 4.0° |
| O15 | C13 | N12 | H12 | 152.2° | 174.1° |
| O15 | C13 | N14 | H14 | 158.5° | 176.0° |
| C17 | C16 | C21 | N14 | 178.0° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.5° | 0.1° |
| C16 | C17 | C18 | H18 | 179.5° | 179.9° |
| C17 | C16 | C21 | C20 | 0.1° | 0.3° |
| C17 | C16 | C21 | H21 | 179.9° | 180.0° |
| C17 | C16 | N14 | H14 | 16.1° | 35.3° |
| C21 | C16 | C17 | C18 | 0.3° | 0.1° |
| C21 | C16 | C17 | H17 | 179.7° | 180.0° |
| C16 | C21 | C20 | C19 | 0.3° | 0.5° |
| C16 | C21 | C20 | H21 | 180.0° | 179.7° |
| C16 | C21 | C20 | H20 | 179.7° | 180.0° |
| C21 | C16 | N14 | H14 | 161.9° | 144.7° |
| N14 | C16 | C17 | C18 | 177.7° | 180.0° |
| N14 | C16 | C17 | H17 | 2.3° | 0.0° |
| N14 | C16 | C21 | C20 | 178.1° | 179.7° |
| N14 | C16 | C21 | H21 | 1.9° | 0.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.3° | 0.3° |
| C17 | C18 | C19 | O22 | 179.7° | 179.9° |
| H17 | C17 | C18 | C19 | 179.5° | 180.0° |
| H17 | C17 | C18 | H18 | 0.5° | 0.0° |
| C18 | C19 | C20 | O22 | 179.4° | 179.8° |
| C18 | C19 | C20 | C21 | 0.1° | 0.5° |
| C18 | C19 | C20 | H20 | 179.9° | 180.0° |
| C18 | C19 | O22 | C23 | 110.3° | 94.8° |
| H18 | C18 | C19 | C20 | 179.7° | 179.7° |
| H18 | C18 | C19 | O22 | 0.3° | 0.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.5° |
| C19 | C20 | C21 | H21 | 179.7° | 179.7° |
| C20 | C19 | O22 | C23 | 70.3° | 85.4° |
| O22 | C19 | C20 | C21 | 179.3° | 179.7° |
| O22 | C19 | C20 | H20 | 0.7° | 0.2° |
| C19 | O22 | C23 | C24 | 28.8° | 174.3° |
| C19 | O22 | C23 | C28 | 151.0° | 5.8° |
| H20 | C20 | C21 | H21 | 0.3° | 0.3° |
| O22 | C23 | C24 | C25 | 179.8° | 179.9° |
| O22 | C23 | C24 | C28 | 179.8° | 179.9° |
| O22 | C23 | C24 | H24 | 0.2° | 0.1° |
| O22 | C23 | C28 | C27 | 179.7° | 180.0° |
| O22 | C23 | C28 | H28 | 0.3° | 0.2° |
| C25 | C24 | C23 | H24 | 180.0° | 179.9° |
| C24 | C25 | N26 | H25 | 180.0° | 179.8° |
| C24 | C25 | N26 | C27 | 0.4° | 0.5° |
| C25 | C24 | C23 | C28 | 0.3° | 0.1° |
| C23 | C24 | C25 | N26 | 0.3° | 0.2° |
| C23 | C24 | C25 | H25 | 179.7° | 180.0° |
| C24 | C23 | C28 | C27 | 0.4° | 0.1° |
| C24 | C23 | C28 | H28 | 179.5° | 179.9° |
| H24 | C24 | C25 | N26 | 179.7° | 179.8° |
| H24 | C24 | C25 | H25 | 0.3° | 0.0° |
| H24 | C24 | C23 | C28 | 179.7° | 180.0° |
| C25 | N26 | C27 | C28 | 0.5° | 0.5° |
| C25 | N26 | C27 | C29 | 179.5° | 179.8° |
| H25 | C25 | N26 | C27 | 179.6° | 179.7° |
| C28 | C27 | N26 | C29 | 179.0° | 179.8° |
| C27 | C28 | C23 | H28 | 180.0° | 179.8° |
| C28 | C27 | C29 | N30 | 154.5° | 180.0° |
| C28 | C27 | C29 | O32 | 8.6° | 0.0° |
| N26 | C27 | C28 | C23 | 0.5° | 0.3° |
| N26 | C27 | C28 | H28 | 179.5° | 179.9° |
| N26 | C27 | C29 | N30 | 24.6° | 0.2° |
| N26 | C27 | C29 | O32 | 170.4° | 179.8° |
| C29 | C27 | C28 | C23 | 179.6° | 180.0° |
| C29 | C27 | C28 | H28 | 0.4° | 0.2° |
| C27 | C29 | N30 | C31 | 107.2° | 180.0° |
| C27 | C29 | N30 | O32 | 147.1° | 180.0° |
| C27 | C29 | N30 | H30 | 72.8° | 0.1° |
| C31 | N30 | C29 | H30 | 180.0° | 180.0° |
| N30 | C31 | H311 | H312 | 125.3° | 120.0° |
| N30 | C31 | H311 | H313 | 125.3° | 120.0° |
| N30 | C31 | H312 | H313 | 117.0° | 120.0° |
| C31 | N30 | C29 | O32 | 105.7° | 0.0° |
| C29 | N30 | C31 | H311 | 180.0° | 180.0° |
| C29 | N30 | C31 | H312 | 54.7° | 60.0° |
| C29 | N30 | C31 | H313 | 54.7° | 60.1° |
| H30 | N30 | C31 | H311 | 0.0° | 0.0° |
| H30 | N30 | C31 | H312 | 125.3° | 120.0° |
| H30 | N30 | C31 | H313 | 125.3° | 119.9° |
| H30 | N30 | C29 | O32 | 74.3° | 179.9° |
| H311 | C31 | H312 | H313 | 117.1° | 120.0° |
| C5 | C6 | C7 | F8 | 60.5° | 60.1° |
| C5 | C6 | C7 | F9 | 60.2° | 59.9° |
| C5 | C6 | C7 | F10 | 178.6° | 180.0° |
| CL11 | C5 | C6 | C7 | 0.3° | 0.1° |
| C6 | C7 | F8 | F9 | 119.6° | 120.1° |
| C6 | C7 | F8 | F10 | 125.0° | 119.9° |
| C6 | C7 | F9 | F10 | 123.0° | 120.0° |
| F8 | C7 | F9 | F10 | 115.7° | 120.0° |
