BRZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.40Å | 1.39Å | Aromatic |
| C1 | C6 | sing | 1.41Å | 1.42Å | Aromatic |
| C1 | C10 | sing | 1.46Å | 1.51Å | Aromatic |
| C2 | C3 | sing | 1.36Å | 1.40Å | Aromatic |
| C2 | HC2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C3 | C13 | sing | 1.52Å | 1.50Å | |
| C4 | C5 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | O11 | sing | 1.36Å | 1.37Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | HC5 | sing | 1.08Å | 1.08Å | |
| C6 | O7 | sing | 1.35Å | 1.42Å | Aromatic |
| O7 | C8 | sing | 1.34Å | 1.42Å | Aromatic |
| C8 | C9 | sing | 1.41Å | 1.55Å | Aromatic |
| C8 | O14 | doub | 1.22Å | 1.28Å | |
| C9 | C10 | doub | 1.36Å | 1.34Å | Aromatic |
| C9 | C15 | sing | 1.51Å | 1.56Å | |
| C10 | HC10 | sing | 1.08Å | 1.08Å | |
| O11 | C12 | sing | 1.44Å | 1.44Å | |
| C12 | C13 | sing | 1.55Å | 1.56Å | |
| C12 | C20 | sing | 1.53Å | 1.55Å | |
| C12 | HC12 | sing | 1.09Å | 1.10Å | |
| C13 | HC11 | sing | 1.09Å | 1.10Å | |
| C13 | HC1A | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.57Å | |
| C15 | C17 | sing | 1.53Å | 1.52Å | |
| C15 | C18 | sing | 1.51Å | 1.51Å | |
| C16 | HC61 | sing | 1.09Å | 1.10Å | |
| C16 | HC62 | sing | 1.09Å | 1.10Å | |
| C16 | HC63 | sing | 1.09Å | 1.10Å | |
| C17 | HC71 | sing | 1.09Å | 1.10Å | |
| C17 | HC72 | sing | 1.09Å | 1.10Å | |
| C17 | HC73 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | doub | 1.31Å | 1.33Å | |
| C18 | HC18 | sing | 1.08Å | 1.08Å | |
| C19 | HC91 | sing | 1.08Å | 1.08Å | |
| C19 | HC92 | sing | 1.08Å | 1.08Å | |
| C20 | O21 | sing | 1.43Å | 1.43Å | |
| C20 | C22 | sing | 1.53Å | 1.54Å | |
| C20 | C23 | sing | 1.53Å | 1.55Å | |
| O21 | HO21 | sing | 0.97Å | 0.95Å | |
| C22 | HC21 | sing | 1.09Å | 1.10Å | |
| C22 | HC22 | sing | 1.09Å | 1.10Å | |
| C22 | HC23 | sing | 1.09Å | 1.10Å | |
| C23 | HC31 | sing | 1.09Å | 1.10Å | |
| C23 | HC32 | sing | 1.09Å | 1.10Å | |
| C23 | HC33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 129.2° | 119.8° |
| C2 | C1 | C10 | 116.4° | 121.1° |
| C1 | C2 | C3 | 112.4° | 119.8° |
| C1 | C2 | HC2 | 123.8° | 120.1° |
| C6 | C1 | C10 | 114.5° | 119.1° |
| C1 | C6 | C5 | 115.6° | 119.6° |
| C1 | C6 | O7 | 123.9° | 119.7° |
| C1 | C10 | C9 | 118.0° | 118.2° |
| C1 | C10 | HC10 | 121.0° | 120.9° |
| C3 | C2 | HC2 | 123.8° | 120.2° |
| C2 | C3 | C4 | 121.2° | 121.2° |
| C2 | C3 | C13 | 128.6° | 131.8° |
| C4 | C3 | C13 | 110.3° | 107.0° |
| C3 | C4 | C5 | 124.9° | 119.5° |
| C3 | C4 | O11 | 113.2° | 111.1° |
| C3 | C13 | C12 | 100.4° | 101.9° |
| C3 | C13 | HC11 | 114.5° | 110.9° |
| C3 | C13 | HC1A | 112.6° | 110.9° |
| C5 | C4 | O11 | 121.9° | 129.4° |
| C4 | C5 | C6 | 116.7° | 120.2° |
| C4 | C5 | HC5 | 121.6° | 119.9° |
| C4 | O11 | C12 | 107.4° | 109.2° |
| C6 | C5 | HC5 | 121.6° | 119.9° |
| C5 | C6 | O7 | 120.4° | 120.7° |
| C6 | O7 | C8 | 126.4° | 121.5° |
| O7 | C8 | C9 | 106.7° | 121.7° |
| O7 | C8 | O14 | 133.0° | 119.1° |
| C9 | C8 | O14 | 120.2° | 119.1° |
| C8 | C9 | C10 | 130.4° | 119.8° |
| C8 | C9 | C15 | 114.0° | 120.1° |
| C10 | C9 | C15 | 115.5° | 120.1° |
| C9 | C10 | HC10 | 121.0° | 120.9° |
| C9 | C15 | C16 | 114.3° | 109.5° |
| C9 | C15 | C17 | 104.1° | 109.4° |
| C9 | C15 | C18 | 99.6° | 109.5° |
| O11 | C12 | C13 | 108.7° | 103.1° |
| O11 | C12 | C20 | 120.1° | 110.8° |
| O11 | C12 | HC12 | 107.0° | 110.7° |
| C13 | C12 | C20 | 119.5° | 110.7° |
| C13 | C12 | HC12 | 107.9° | 110.7° |
| C12 | C13 | HC11 | 114.5° | 111.0° |
| C12 | C13 | HC1A | 112.6° | 111.0° |
| C20 | C12 | HC12 | 90.6° | 110.6° |
| C12 | C20 | O21 | 123.3° | 109.5° |
| C12 | C20 | C22 | 112.3° | 109.5° |
| C12 | C20 | C23 | 100.8° | 109.5° |
| HC11 | C13 | HC1A | 102.7° | 110.9° |
| C16 | C15 | C17 | 105.4° | 109.5° |
| C16 | C15 | C18 | 104.4° | 109.5° |
| C15 | C16 | HC61 | 109.5° | 109.5° |
| C15 | C16 | HC62 | 109.4° | 109.4° |
| C15 | C16 | HC63 | 109.5° | 109.4° |
| C17 | C15 | C18 | 129.4° | 109.5° |
| C15 | C17 | HC71 | 109.5° | 109.5° |
| C15 | C17 | HC72 | 109.5° | 109.5° |
| C15 | C17 | HC73 | 109.5° | 109.5° |
| C15 | C18 | C19 | 139.5° | 120.0° |
| C15 | C18 | HC18 | 110.3° | 120.0° |
| HC61 | C16 | HC62 | 109.5° | 109.5° |
| HC61 | C16 | HC63 | 109.5° | 109.5° |
| HC62 | C16 | HC63 | 109.5° | 109.5° |
| HC71 | C17 | HC72 | 109.5° | 109.4° |
| HC71 | C17 | HC73 | 109.4° | 109.5° |
| HC72 | C17 | HC73 | 109.5° | 109.5° |
| C19 | C18 | HC18 | 110.3° | 120.0° |
| C18 | C19 | HC91 | 123.1° | 120.0° |
| C18 | C19 | HC92 | 114.0° | 120.0° |
| HC91 | C19 | HC92 | 123.0° | 120.0° |
| O21 | C20 | C22 | 104.1° | 109.4° |
| O21 | C20 | C23 | 108.9° | 109.4° |
| C20 | O21 | HO21 | 109.5° | 106.8° |
| C22 | C20 | C23 | 106.6° | 109.5° |
| C20 | C22 | HC21 | 109.5° | 109.4° |
| C20 | C22 | HC22 | 109.4° | 109.5° |
| C20 | C22 | HC23 | 109.5° | 109.5° |
| C20 | C23 | HC31 | 109.5° | 109.5° |
| C20 | C23 | HC32 | 109.5° | 109.4° |
| C20 | C23 | HC33 | 109.5° | 109.4° |
| HC21 | C22 | HC22 | 109.5° | 109.5° |
| HC21 | C22 | HC23 | 109.5° | 109.5° |
| HC22 | C22 | HC23 | 109.5° | 109.5° |
| HC31 | C23 | HC32 | 109.5° | 109.5° |
| HC31 | C23 | HC33 | 109.5° | 109.5° |
| HC32 | C23 | HC33 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C10 | 179.6° | 180.0° |
| C1 | C2 | C3 | HC2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.3° |
| C1 | C2 | C3 | C13 | 179.9° | 179.7° |
| C2 | C1 | C6 | C5 | 0.1° | 0.2° |
| C2 | C1 | C6 | O7 | 179.7° | 179.8° |
| C2 | C1 | C10 | C9 | 179.8° | 179.9° |
| C2 | C1 | C10 | HC10 | 0.3° | 0.1° |
| C6 | C1 | C2 | C3 | 0.3° | 0.0° |
| C6 | C1 | C2 | HC2 | 179.7° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C1 | C6 | C5 | O7 | 179.8° | 180.0° |
| C1 | C6 | C5 | HC5 | 179.9° | 180.0° |
| C1 | C6 | O7 | C8 | 1.1° | 0.1° |
| C6 | C1 | C10 | C9 | 0.1° | 0.0° |
| C6 | C1 | C10 | HC10 | 179.9° | 179.9° |
| C10 | C1 | C2 | C3 | 180.0° | 180.0° |
| C10 | C1 | C2 | HC2 | 0.0° | 0.0° |
| C10 | C1 | C6 | C5 | 179.7° | 179.8° |
| C10 | C1 | C6 | O7 | 0.1° | 0.1° |
| C1 | C10 | C9 | C8 | 1.1° | 0.0° |
| C1 | C10 | C9 | HC10 | 180.0° | 180.0° |
| C1 | C10 | C9 | C15 | 178.8° | 180.0° |
| C2 | C3 | C4 | C13 | 179.5° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.5° |
| C2 | C3 | C4 | O11 | 179.1° | 179.1° |
| C2 | C3 | C13 | C12 | 178.7° | 164.5° |
| C2 | C3 | C13 | HC11 | 58.2° | 77.3° |
| C2 | C3 | C13 | HC1A | 58.7° | 46.4° |
| HC2 | C2 | C3 | C4 | 179.6° | 179.7° |
| HC2 | C2 | C3 | C13 | 0.1° | 0.3° |
| C3 | C4 | C5 | O11 | 179.3° | 179.6° |
| C3 | C4 | C5 | C6 | 0.0° | 0.3° |
| C3 | C4 | C5 | HC5 | 180.0° | 179.6° |
| C3 | C4 | O11 | C12 | 2.8° | 18.8° |
| C4 | C3 | C13 | C12 | 1.8° | 15.5° |
| C4 | C3 | C13 | HC11 | 121.3° | 102.7° |
| C4 | C3 | C13 | HC1A | 121.8° | 133.6° |
| C13 | C3 | C4 | C5 | 179.8° | 179.5° |
| C13 | C3 | C4 | O11 | 0.5° | 0.9° |
| C3 | C13 | C12 | O11 | 3.4° | 25.4° |
| C3 | C13 | C12 | HC11 | 123.2° | 118.1° |
| C3 | C13 | C12 | HC1A | 120.0° | 118.1° |
| C3 | C13 | C12 | C20 | 146.5° | 143.8° |
| C3 | C13 | C12 | HC12 | 112.2° | 93.1° |
| C3 | C13 | HC11 | HC1A | 122.4° | 123.7° |
| C4 | C5 | C6 | HC5 | 180.0° | 180.0° |
| C4 | C5 | C6 | O7 | 179.9° | 180.0° |
| C5 | C4 | O11 | C12 | 177.8° | 161.6° |
| O11 | C4 | C5 | C6 | 179.3° | 179.2° |
| O11 | C4 | C5 | HC5 | 0.7° | 0.8° |
| C4 | O11 | C12 | C13 | 3.9° | 27.7° |
| C4 | O11 | C12 | C20 | 146.7° | 146.2° |
| C4 | O11 | C12 | HC12 | 112.4° | 90.8° |
| C5 | C6 | O7 | C8 | 179.1° | 179.8° |
| HC5 | C5 | C6 | O7 | 0.1° | 0.0° |
| C6 | O7 | C8 | C9 | 1.8° | 0.1° |
| C6 | O7 | C8 | O14 | 178.7° | 179.9° |
| O7 | C8 | C9 | O14 | 177.3° | 180.0° |
| O7 | C8 | C9 | C10 | 1.9° | 0.0° |
| O7 | C8 | C9 | C15 | 179.7° | 180.0° |
| C8 | C9 | C10 | C15 | 177.8° | 180.0° |
| C8 | C9 | C10 | HC10 | 178.9° | 180.0° |
| C8 | C9 | C15 | C16 | 160.6° | 60.0° |
| C8 | C9 | C15 | C17 | 85.0° | 60.0° |
| C8 | C9 | C15 | C18 | 49.9° | 180.0° |
| O14 | C8 | C9 | C10 | 179.3° | 180.0° |
| O14 | C8 | C9 | C15 | 3.0° | 0.0° |
| C10 | C9 | C15 | C16 | 17.6° | 120.0° |
| C10 | C9 | C15 | C17 | 96.9° | 120.0° |
| C10 | C9 | C15 | C18 | 128.2° | 0.0° |
| C15 | C9 | C10 | HC10 | 1.2° | 0.0° |
| C9 | C15 | C16 | C17 | 113.7° | 120.0° |
| C9 | C15 | C16 | C18 | 107.8° | 120.0° |
| C9 | C15 | C17 | C18 | 115.4° | 120.0° |
| C9 | C15 | C16 | HC61 | 98.2° | 60.0° |
| C9 | C15 | C16 | HC62 | 21.8° | 180.0° |
| C9 | C15 | C16 | HC63 | 141.8° | 60.1° |
| C9 | C15 | C17 | HC71 | 131.9° | 60.0° |
| C9 | C15 | C17 | HC72 | 108.1° | 180.0° |
| C9 | C15 | C17 | HC73 | 11.9° | 60.0° |
| C9 | C15 | C18 | C19 | 20.6° | 120.0° |
| C9 | C15 | C18 | HC18 | 159.4° | 60.0° |
| O11 | C12 | C13 | C20 | 143.0° | 118.5° |
| O11 | C12 | C13 | HC12 | 115.7° | 118.5° |
| O11 | C12 | C20 | HC12 | 110.1° | 123.2° |
| O11 | C12 | C13 | HC11 | 119.7° | 92.8° |
| O11 | C12 | C13 | HC1A | 123.4° | 143.5° |
| O11 | C12 | C20 | O21 | 26.9° | 176.1° |
| O11 | C12 | C20 | C22 | 98.8° | 63.9° |
| O11 | C12 | C20 | C23 | 148.1° | 56.1° |
| C13 | C12 | C20 | HC12 | 111.1° | 123.1° |
| C12 | C13 | HC11 | HC1A | 122.4° | 123.8° |
| C13 | C12 | C20 | O21 | 111.9° | 62.4° |
| C13 | C12 | C20 | C22 | 122.3° | 177.6° |
| C13 | C12 | C20 | C23 | 9.3° | 57.6° |
| C20 | C12 | C13 | HC11 | 23.3° | 25.7° |
| C20 | C12 | C13 | HC1A | 93.6° | 98.0° |
| C12 | C20 | O21 | C22 | 129.2° | 120.0° |
| C12 | C20 | O21 | C23 | 117.4° | 120.0° |
| C12 | C20 | C22 | C23 | 109.4° | 120.0° |
| C12 | C20 | O21 | HO21 | 113.8° | 60.0° |
| C12 | C20 | C22 | HC21 | 1.3° | 60.0° |
| C12 | C20 | C22 | HC22 | 118.8° | 60.0° |
| C12 | C20 | C22 | HC23 | 121.3° | 180.0° |
| C12 | C20 | C23 | HC31 | 56.8° | 180.0° |
| C12 | C20 | C23 | HC32 | 176.8° | 60.0° |
| C12 | C20 | C23 | HC33 | 63.2° | 60.0° |
| HC12 | C12 | C13 | HC11 | 124.6° | 148.8° |
| HC12 | C12 | C13 | HC1A | 7.7° | 25.0° |
| HC12 | C12 | C20 | O21 | 137.0° | 60.7° |
| HC12 | C12 | C20 | C22 | 11.3° | 59.3° |
| HC12 | C12 | C20 | C23 | 101.8° | 179.3° |
| C16 | C15 | C17 | C18 | 123.9° | 120.0° |
| C15 | C16 | HC61 | HC62 | 120.0° | 119.9° |
| C15 | C16 | HC61 | HC63 | 120.0° | 120.0° |
| C15 | C16 | HC62 | HC63 | 120.0° | 119.9° |
| C16 | C15 | C17 | HC71 | 107.4° | 180.0° |
| C16 | C15 | C17 | HC72 | 12.6° | 60.0° |
| C16 | C15 | C17 | HC73 | 132.6° | 60.0° |
| C16 | C15 | C18 | C19 | 97.7° | 0.0° |
| C16 | C15 | C18 | HC18 | 82.3° | 180.0° |
| C17 | C15 | C16 | HC61 | 148.0° | 60.0° |
| C17 | C15 | C16 | HC62 | 91.9° | 60.0° |
| C17 | C15 | C16 | HC63 | 28.1° | 180.0° |
| C15 | C17 | HC71 | HC72 | 120.0° | 120.0° |
| C15 | C17 | HC71 | HC73 | 120.0° | 120.0° |
| C15 | C17 | HC72 | HC73 | 120.0° | 120.0° |
| C17 | C15 | C18 | C19 | 137.9° | 120.0° |
| C17 | C15 | C18 | HC18 | 42.1° | 60.0° |
| C18 | C15 | C16 | HC61 | 9.5° | 180.0° |
| C18 | C15 | C16 | HC62 | 129.5° | 60.0° |
| C18 | C15 | C16 | HC63 | 110.5° | 60.0° |
| C18 | C15 | C17 | HC71 | 16.5° | 60.0° |
| C18 | C15 | C17 | HC72 | 136.5° | 60.0° |
| C18 | C15 | C17 | HC73 | 103.5° | 180.0° |
| C15 | C18 | C19 | HC18 | 180.0° | 180.0° |
| C15 | C18 | C19 | HC91 | 0.0° | 180.0° |
| C15 | C18 | C19 | HC92 | 180.0° | 0.0° |
| HC61 | C16 | HC62 | HC63 | 120.0° | 120.1° |
| HC71 | C17 | HC72 | HC73 | 119.9° | 120.0° |
| C18 | C19 | HC91 | HC92 | 180.0° | 180.0° |
| HC18 | C18 | C19 | HC91 | 180.0° | 0.0° |
| HC18 | C18 | C19 | HC92 | 0.0° | 179.9° |
| O21 | C20 | C22 | C23 | 115.0° | 119.9° |
| O21 | C20 | C22 | HC21 | 136.9° | 180.0° |
| O21 | C20 | C22 | HC22 | 16.8° | 60.0° |
| O21 | C20 | C22 | HC23 | 103.1° | 60.0° |
| O21 | C20 | C23 | HC31 | 172.2° | 60.0° |
| O21 | C20 | C23 | HC32 | 52.2° | 60.1° |
| O21 | C20 | C23 | HC33 | 67.8° | 180.0° |
| C22 | C20 | O21 | HO21 | 15.5° | 180.0° |
| C20 | C22 | HC21 | HC22 | 120.0° | 120.0° |
| C20 | C22 | HC21 | HC23 | 120.0° | 120.0° |
| C20 | C22 | HC22 | HC23 | 120.0° | 120.0° |
| C22 | C20 | C23 | HC31 | 60.5° | 60.0° |
| C22 | C20 | C23 | HC32 | 59.5° | 180.0° |
| C22 | C20 | C23 | HC33 | 179.5° | 60.1° |
| C23 | C20 | O21 | HO21 | 128.8° | 60.0° |
| C23 | C20 | C22 | HC21 | 108.2° | 60.1° |
| C23 | C20 | C22 | HC22 | 131.8° | 180.0° |
| C23 | C20 | C22 | HC23 | 11.8° | 60.0° |
| C20 | C23 | HC31 | HC32 | 120.0° | 120.0° |
| C20 | C23 | HC31 | HC33 | 120.0° | 120.0° |
| C20 | C23 | HC32 | HC33 | 120.0° | 119.9° |
| HC21 | C22 | HC22 | HC23 | 120.0° | 120.0° |
| HC31 | C23 | HC32 | HC33 | 120.0° | 120.1° |
