DBR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.59Å | |
| C1 | C5 | sing | 1.53Å | 1.60Å | |
| C1 | H11A | sing | 1.09Å | 1.12Å | |
| C1 | H12A | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.60Å | |
| C2 | C4 | sing | 1.53Å | 1.59Å | |
| C2 | H2 | sing | 1.09Å | 1.11Å | |
| C3 | C8 | sing | 1.53Å | 1.60Å | |
| C3 | H31A | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.12Å | |
| C4 | C9 | sing | 1.53Å | 1.61Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.58Å | |
| C5 | C7 | sing | 1.53Å | 1.58Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | C8 | sing | 1.53Å | 1.60Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C7 | C9 | sing | 1.53Å | 1.61Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C8 | C10 | sing | 1.53Å | 1.60Å | |
| C8 | H8 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.53Å | 1.60Å | |
| C9 | C11 | sing | 1.51Å | 1.54Å | |
| C10 | H101 | sing | 1.09Å | 1.12Å | |
| C10 | H102 | sing | 1.09Å | 1.12Å | |
| C11 | N12 | sing | 1.35Å | 1.41Å | |
| C11 | O17 | doub | 1.21Å | 1.23Å | |
| N12 | C13 | sing | 1.46Å | 1.50Å | |
| N12 | H12 | sing | 0.97Å | 1.02Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.11Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C16 | N31 | sing | 1.46Å | 1.50Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.12Å | |
| N31 | S33 | sing | 1.66Å | 1.54Å | |
| N31 | H31 | sing | 0.97Å | 1.02Å | |
| S33 | O32 | doub | 1.42Å | 1.42Å | |
| S33 | O34 | doub | 1.42Å | 1.45Å | |
| S33 | C18 | sing | 1.76Å | 1.81Å | |
| N28 | C27 | sing | 1.39Å | 1.48Å | |
| N28 | C28 | sing | 1.47Å | 1.49Å | |
| N28 | C29 | sing | 1.47Å | 1.50Å | |
| C18 | C19 | doub | 1.36Å | 1.40Å | Aromatic |
| C18 | C23 | sing | 1.41Å | 1.48Å | Aromatic |
| C19 | C20 | sing | 1.39Å | 1.43Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C21 | doub | 1.36Å | 1.39Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | sing | 1.40Å | 1.45Å | Aromatic |
| C21 | H21 | sing | 1.08Å | 1.10Å | |
| C22 | C23 | doub | 1.42Å | 1.49Å | Aromatic |
| C22 | C27 | sing | 1.41Å | 1.47Å | Aromatic |
| C23 | C24 | sing | 1.41Å | 1.44Å | Aromatic |
| C24 | C25 | doub | 1.36Å | 1.39Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | sing | 1.39Å | 1.44Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | C27 | doub | 1.38Å | 1.42Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.12Å | |
| C28 | H283 | sing | 1.09Å | 1.11Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| C29 | H293 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C5 | 111.4° | 109.5° |
| C2 | C1 | H11A | 111.5° | 109.5° |
| C2 | C1 | H12A | 111.5° | 109.4° |
| C1 | C2 | C3 | 107.3° | 109.5° |
| C1 | C2 | C4 | 109.0° | 109.5° |
| C1 | C2 | H2 | 111.0° | 109.5° |
| C5 | C1 | H11A | 111.5° | 109.5° |
| C5 | C1 | H12A | 111.5° | 109.5° |
| C1 | C5 | C6 | 109.1° | 109.5° |
| C1 | C5 | C7 | 109.3° | 109.5° |
| C1 | C5 | H5 | 109.6° | 109.5° |
| H11A | C1 | H12A | 98.8° | 109.5° |
| C3 | C2 | C4 | 108.6° | 109.5° |
| C3 | C2 | H2 | 111.3° | 109.5° |
| C2 | C3 | C8 | 111.7° | 109.5° |
| C2 | C3 | H31A | 111.4° | 109.5° |
| C2 | C3 | H32 | 111.4° | 109.5° |
| C4 | C2 | H2 | 109.6° | 109.5° |
| C2 | C4 | C9 | 111.4° | 109.5° |
| C2 | C4 | H41 | 111.5° | 109.5° |
| C2 | C4 | H42 | 111.5° | 109.4° |
| C8 | C3 | H31A | 111.4° | 109.5° |
| C8 | C3 | H32 | 111.4° | 109.5° |
| C3 | C8 | C6 | 107.6° | 109.5° |
| C3 | C8 | C10 | 109.3° | 109.5° |
| C3 | C8 | H8 | 110.7° | 109.5° |
| H31A | C3 | H32 | 99.0° | 109.5° |
| C9 | C4 | H41 | 111.5° | 109.5° |
| C9 | C4 | H42 | 111.5° | 109.5° |
| C4 | C9 | C7 | 109.0° | 109.5° |
| C4 | C9 | C10 | 108.0° | 109.5° |
| C4 | C9 | C11 | 109.4° | 109.5° |
| H41 | C4 | H42 | 98.8° | 109.5° |
| C6 | C5 | C7 | 108.7° | 109.4° |
| C6 | C5 | H5 | 110.2° | 109.5° |
| C5 | C6 | C8 | 111.0° | 109.5° |
| C5 | C6 | H61 | 111.6° | 109.4° |
| C5 | C6 | H62 | 111.6° | 109.5° |
| C7 | C5 | H5 | 109.9° | 109.5° |
| C5 | C7 | C9 | 110.4° | 109.5° |
| C5 | C7 | H71 | 111.9° | 109.4° |
| C5 | C7 | H72 | 111.8° | 109.5° |
| C8 | C6 | H61 | 111.6° | 109.5° |
| C8 | C6 | H62 | 111.7° | 109.5° |
| C6 | C8 | C10 | 108.9° | 109.5° |
| C6 | C8 | H8 | 111.0° | 109.4° |
| H61 | C6 | H62 | 98.8° | 109.5° |
| C9 | C7 | H71 | 111.9° | 109.5° |
| C9 | C7 | H72 | 111.9° | 109.5° |
| C7 | C9 | C10 | 109.2° | 109.5° |
| C7 | C9 | C11 | 111.9° | 109.5° |
| H71 | C7 | H72 | 98.5° | 109.4° |
| C10 | C8 | H8 | 109.3° | 109.5° |
| C8 | C10 | C9 | 110.5° | 109.5° |
| C8 | C10 | H101 | 111.9° | 109.5° |
| C8 | C10 | H102 | 111.8° | 109.5° |
| C10 | C9 | C11 | 109.3° | 109.4° |
| C9 | C10 | H101 | 111.9° | 109.4° |
| C9 | C10 | H102 | 111.8° | 109.5° |
| C9 | C11 | N12 | 117.4° | 120.0° |
| C9 | C11 | O17 | 119.3° | 120.0° |
| H101 | C10 | H102 | 98.5° | 109.5° |
| N12 | C11 | O17 | 123.3° | 120.0° |
| C11 | N12 | C13 | 132.2° | 120.0° |
| C11 | N12 | H12 | 110.0° | 119.9° |
| C13 | N12 | H12 | 117.7° | 120.0° |
| N12 | C13 | C14 | 121.8° | 109.5° |
| N12 | C13 | H131 | 107.8° | 109.5° |
| N12 | C13 | H132 | 107.8° | 109.5° |
| C14 | C13 | H131 | 107.8° | 109.5° |
| C14 | C13 | H132 | 107.8° | 109.5° |
| C13 | C14 | C15 | 114.0° | 109.4° |
| C13 | C14 | H141 | 110.6° | 109.4° |
| C13 | C14 | H142 | 110.5° | 109.5° |
| H131 | C13 | H132 | 102.0° | 109.5° |
| C15 | C14 | H141 | 110.5° | 109.5° |
| C15 | C14 | H142 | 110.6° | 109.5° |
| C14 | C15 | C16 | 118.8° | 109.4° |
| C14 | C15 | H151 | 108.8° | 109.5° |
| C14 | C15 | H152 | 108.9° | 109.5° |
| H141 | C14 | H142 | 99.7° | 109.5° |
| C16 | C15 | H151 | 108.8° | 109.5° |
| C16 | C15 | H152 | 108.8° | 109.4° |
| C15 | C16 | N31 | 128.6° | 109.5° |
| C15 | C16 | H161 | 105.5° | 109.5° |
| C15 | C16 | H162 | 105.5° | 109.4° |
| H151 | C15 | H152 | 101.2° | 109.5° |
| N31 | C16 | H161 | 105.5° | 109.5° |
| N31 | C16 | H162 | 105.5° | 109.5° |
| C16 | N31 | S33 | 123.6° | 120.0° |
| C16 | N31 | H31 | 107.2° | 120.0° |
| H161 | C16 | H162 | 103.8° | 109.5° |
| S33 | N31 | H31 | 107.2° | 120.0° |
| N31 | S33 | O32 | 105.9° | 105.8° |
| N31 | S33 | O34 | 114.1° | 105.8° |
| N31 | S33 | C18 | 99.1° | 107.4° |
| O32 | S33 | O34 | 115.2° | 125.3° |
| O32 | S33 | C18 | 111.9° | 105.8° |
| O34 | S33 | C18 | 109.4° | 105.8° |
| S33 | C18 | C19 | 116.0° | 120.2° |
| S33 | C18 | C23 | 122.5° | 120.2° |
| C27 | N28 | C28 | 113.2° | 106.7° |
| C27 | N28 | C29 | 113.7° | 106.7° |
| N28 | C27 | C22 | 118.4° | 120.3° |
| N28 | C27 | C26 | 122.5° | 120.3° |
| C28 | N28 | C29 | 107.1° | 106.7° |
| N28 | C28 | H281 | 110.8° | 109.5° |
| N28 | C28 | H282 | 113.2° | 109.5° |
| N28 | C28 | H283 | 110.8° | 109.5° |
| N28 | C29 | H291 | 110.7° | 109.5° |
| N28 | C29 | H292 | 113.7° | 109.5° |
| N28 | C29 | H293 | 110.7° | 109.5° |
| C19 | C18 | C23 | 121.5° | 119.6° |
| C18 | C19 | C20 | 120.6° | 121.0° |
| C18 | C19 | H19 | 118.7° | 119.5° |
| C18 | C23 | C22 | 116.4° | 119.3° |
| C18 | C23 | C24 | 125.2° | 121.2° |
| C20 | C19 | H19 | 120.6° | 119.5° |
| C19 | C20 | C21 | 121.0° | 121.0° |
| C19 | C20 | H20 | 121.0° | 119.5° |
| C21 | C20 | H20 | 118.0° | 119.6° |
| C20 | C21 | C22 | 121.4° | 119.6° |
| C20 | C21 | H21 | 117.2° | 120.2° |
| C22 | C21 | H21 | 121.5° | 120.2° |
| C21 | C22 | C23 | 119.2° | 119.4° |
| C21 | C22 | C27 | 121.9° | 121.2° |
| C23 | C22 | C27 | 118.9° | 119.4° |
| C22 | C23 | C24 | 118.4° | 119.5° |
| C22 | C27 | C26 | 119.1° | 119.3° |
| C23 | C24 | C25 | 121.3° | 119.9° |
| C23 | C24 | H24 | 120.9° | 120.0° |
| C25 | C24 | H24 | 117.8° | 120.1° |
| C24 | C25 | C26 | 121.2° | 121.1° |
| C24 | C25 | H25 | 117.9° | 119.4° |
| C26 | C25 | H25 | 121.0° | 119.5° |
| C25 | C26 | C27 | 121.1° | 120.8° |
| C25 | C26 | H26 | 120.2° | 119.6° |
| C27 | C26 | H26 | 118.7° | 119.6° |
| H281 | C28 | H282 | 110.8° | 109.5° |
| H281 | C28 | H283 | 99.5° | 109.5° |
| H282 | C28 | H283 | 110.9° | 109.4° |
| H291 | C29 | H292 | 110.7° | 109.5° |
| H291 | C29 | H293 | 99.6° | 109.4° |
| H292 | C29 | H293 | 110.7° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C5 | H11A | 125.3° | 120.0° |
| C2 | C1 | C5 | H12A | 125.3° | 119.9° |
| C2 | C1 | H11A | H12A | 117.4° | 120.0° |
| C1 | C2 | C3 | C4 | 117.7° | 120.0° |
| C1 | C2 | C3 | H2 | 121.5° | 120.0° |
| C1 | C2 | C4 | H2 | 121.6° | 120.0° |
| C1 | C2 | C3 | C8 | 60.5° | 60.0° |
| C1 | C2 | C3 | H31A | 64.8° | 180.0° |
| C1 | C2 | C3 | H32 | 174.2° | 60.0° |
| C1 | C2 | C4 | C9 | 57.8° | 60.0° |
| C1 | C2 | C4 | H41 | 176.9° | 180.0° |
| C1 | C2 | C4 | H42 | 67.5° | 60.0° |
| C2 | C1 | C5 | C6 | 59.3° | 60.0° |
| C2 | C1 | C5 | C7 | 59.5° | 60.0° |
| C2 | C1 | C5 | H5 | 180.0° | 180.0° |
| C5 | C1 | H11A | H12A | 117.4° | 120.0° |
| C5 | C1 | C2 | C3 | 59.1° | 60.0° |
| C5 | C1 | C2 | C4 | 58.3° | 60.0° |
| C5 | C1 | C2 | H2 | 179.1° | 180.0° |
| C1 | C5 | C6 | C7 | 119.1° | 120.0° |
| C1 | C5 | C6 | H5 | 120.4° | 120.0° |
| C1 | C5 | C7 | H5 | 120.3° | 120.0° |
| C1 | C5 | C6 | C8 | 58.9° | 60.0° |
| C1 | C5 | C6 | H61 | 175.9° | 180.0° |
| C1 | C5 | C6 | H62 | 66.4° | 60.0° |
| C1 | C5 | C7 | C9 | 59.0° | 60.0° |
| C1 | C5 | C7 | H71 | 66.3° | 60.0° |
| C1 | C5 | C7 | H72 | 175.7° | 180.0° |
| H11A | C1 | C2 | C3 | 175.6° | 60.0° |
| H11A | C1 | C2 | C4 | 67.0° | 180.0° |
| H11A | C1 | C2 | H2 | 53.8° | 60.0° |
| H11A | C1 | C5 | C6 | 175.4° | 60.0° |
| H11A | C1 | C5 | C7 | 65.8° | 180.0° |
| H11A | C1 | C5 | H5 | 54.7° | 60.0° |
| H12A | C1 | C2 | C3 | 66.2° | 180.0° |
| H12A | C1 | C2 | C4 | 176.4° | 60.0° |
| H12A | C1 | C2 | H2 | 55.6° | 60.0° |
| H12A | C1 | C5 | C6 | 66.0° | 180.0° |
| H12A | C1 | C5 | C7 | 175.2° | 60.0° |
| H12A | C1 | C5 | H5 | 54.7° | 60.1° |
| C3 | C2 | C4 | H2 | 121.8° | 120.0° |
| C2 | C3 | C8 | H31A | 125.3° | 120.0° |
| C2 | C3 | C8 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31A | H32 | 117.3° | 120.0° |
| C3 | C2 | C4 | C9 | 58.8° | 60.0° |
| C3 | C2 | C4 | H41 | 66.5° | 60.0° |
| C3 | C2 | C4 | H42 | 176.0° | 180.0° |
| C2 | C3 | C8 | C6 | 60.5° | 60.0° |
| C2 | C3 | C8 | C10 | 57.6° | 60.0° |
| C2 | C3 | C8 | H8 | 178.1° | 180.0° |
| C4 | C2 | C3 | C8 | 57.1° | 60.0° |
| C4 | C2 | C3 | H31A | 177.6° | 60.0° |
| C4 | C2 | C3 | H32 | 68.1° | 180.0° |
| C2 | C4 | C9 | H41 | 125.3° | 120.0° |
| C2 | C4 | C9 | H42 | 125.3° | 120.0° |
| C2 | C4 | H41 | H42 | 117.4° | 119.9° |
| C2 | C4 | C9 | C7 | 58.0° | 60.0° |
| C2 | C4 | C9 | C10 | 60.6° | 60.0° |
| C2 | C4 | C9 | C11 | 179.4° | 180.0° |
| H2 | C2 | C3 | C8 | 177.9° | 180.0° |
| H2 | C2 | C3 | H31A | 56.8° | 60.0° |
| H2 | C2 | C3 | H32 | 52.7° | 60.0° |
| H2 | C2 | C4 | C9 | 179.4° | 180.0° |
| H2 | C2 | C4 | H41 | 55.3° | 60.0° |
| H2 | C2 | C4 | H42 | 54.2° | 60.0° |
| C8 | C3 | H31A | H32 | 117.3° | 120.0° |
| C3 | C8 | C6 | C5 | 59.1° | 60.0° |
| C3 | C8 | C6 | C10 | 118.4° | 120.0° |
| C3 | C8 | C6 | H8 | 121.2° | 120.0° |
| C3 | C8 | C6 | H61 | 175.7° | 180.0° |
| C3 | C8 | C6 | H62 | 66.1° | 60.0° |
| C3 | C8 | C10 | H8 | 121.3° | 120.1° |
| C3 | C8 | C10 | C9 | 59.2° | 60.0° |
| C3 | C8 | C10 | H101 | 175.5° | 180.0° |
| C3 | C8 | C10 | H102 | 66.1° | 60.0° |
| H31A | C3 | C8 | C6 | 64.8° | 180.0° |
| H31A | C3 | C8 | C10 | 177.1° | 60.0° |
| H31A | C3 | C8 | H8 | 56.6° | 60.0° |
| H32 | C3 | C8 | C6 | 174.2° | 60.0° |
| H32 | C3 | C8 | C10 | 67.6° | 180.0° |
| H32 | C3 | C8 | H8 | 52.8° | 60.0° |
| C9 | C4 | H41 | H42 | 117.4° | 120.0° |
| C4 | C9 | C7 | C5 | 58.4° | 60.0° |
| C4 | C9 | C7 | C10 | 117.8° | 120.0° |
| C4 | C9 | C7 | C11 | 121.1° | 120.0° |
| C4 | C9 | C7 | H71 | 66.9° | 60.0° |
| C4 | C9 | C7 | H72 | 176.4° | 180.0° |
| C4 | C9 | C10 | C8 | 60.1° | 60.0° |
| C4 | C9 | C10 | C11 | 118.9° | 120.0° |
| C4 | C9 | C10 | H101 | 174.6° | 180.0° |
| C4 | C9 | C10 | H102 | 65.1° | 60.0° |
| C4 | C9 | C11 | N12 | 56.2° | 180.0° |
| C4 | C9 | C11 | O17 | 121.9° | 0.1° |
| H41 | C4 | C9 | C7 | 176.7° | 180.0° |
| H41 | C4 | C9 | C10 | 64.7° | 60.0° |
| H41 | C4 | C9 | C11 | 54.1° | 59.9° |
| H42 | C4 | C9 | C7 | 67.3° | 60.0° |
| H42 | C4 | C9 | C10 | 174.2° | 180.0° |
| H42 | C4 | C9 | C11 | 55.3° | 60.1° |
| C6 | C5 | C7 | H5 | 120.7° | 120.0° |
| C5 | C6 | C8 | H61 | 125.2° | 119.9° |
| C5 | C6 | C8 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 117.6° | 120.0° |
| C6 | C5 | C7 | C9 | 60.0° | 60.0° |
| C6 | C5 | C7 | H71 | 174.7° | 180.0° |
| C6 | C5 | C7 | H72 | 65.3° | 60.0° |
| C5 | C6 | C8 | C10 | 59.3° | 60.0° |
| C5 | C6 | C8 | H8 | 179.7° | 180.0° |
| C7 | C5 | C6 | C8 | 60.3° | 60.0° |
| C7 | C5 | C6 | H61 | 65.0° | 60.0° |
| C7 | C5 | C6 | H62 | 174.5° | 180.0° |
| C5 | C7 | C9 | H71 | 125.3° | 120.0° |
| C5 | C7 | C9 | H72 | 125.2° | 120.0° |
| C5 | C7 | H71 | H72 | 117.8° | 120.0° |
| C5 | C7 | C9 | C10 | 59.4° | 60.0° |
| C5 | C7 | C9 | C11 | 179.4° | 180.0° |
| H5 | C5 | C6 | C8 | 179.2° | 180.0° |
| H5 | C5 | C6 | H61 | 55.6° | 60.0° |
| H5 | C5 | C6 | H62 | 54.0° | 60.0° |
| H5 | C5 | C7 | C9 | 179.4° | 180.0° |
| H5 | C5 | C7 | H71 | 54.1° | 60.0° |
| H5 | C5 | C7 | H72 | 55.4° | 59.9° |
| C8 | C6 | H61 | H62 | 117.6° | 120.0° |
| C6 | C8 | C10 | H8 | 121.5° | 119.9° |
| C6 | C8 | C10 | C9 | 58.1° | 60.0° |
| C6 | C8 | C10 | H101 | 67.2° | 60.0° |
| C6 | C8 | C10 | H102 | 176.6° | 180.0° |
| H61 | C6 | C8 | C10 | 65.9° | 59.9° |
| H61 | C6 | C8 | H8 | 54.5° | 60.0° |
| H62 | C6 | C8 | C10 | 175.4° | 180.0° |
| H62 | C6 | C8 | H8 | 55.0° | 60.0° |
| C9 | C7 | H71 | H72 | 117.8° | 120.0° |
| C7 | C9 | C10 | C8 | 58.3° | 60.0° |
| C7 | C9 | C10 | C11 | 122.7° | 120.0° |
| C7 | C9 | C10 | H101 | 66.9° | 60.0° |
| C7 | C9 | C10 | H102 | 176.4° | 180.0° |
| C7 | C9 | C11 | N12 | 177.1° | 60.0° |
| C7 | C9 | C11 | O17 | 0.9° | 120.0° |
| H71 | C7 | C9 | C10 | 175.3° | 180.0° |
| H71 | C7 | C9 | C11 | 54.2° | 60.0° |
| H72 | C7 | C9 | C10 | 65.8° | 60.0° |
| H72 | C7 | C9 | C11 | 55.3° | 60.0° |
| C8 | C10 | C9 | H101 | 125.3° | 120.0° |
| C8 | C10 | C9 | H102 | 125.3° | 120.0° |
| C8 | C10 | C9 | C11 | 179.0° | 180.0° |
| C8 | C10 | H101 | H102 | 117.7° | 120.0° |
| H8 | C8 | C10 | C9 | 179.6° | 179.9° |
| H8 | C8 | C10 | H101 | 54.3° | 60.0° |
| H8 | C8 | C10 | H102 | 55.2° | 60.1° |
| C9 | C10 | H101 | H102 | 117.8° | 120.0° |
| C10 | C9 | C11 | N12 | 61.9° | 60.0° |
| C10 | C9 | C11 | O17 | 120.1° | 120.0° |
| C11 | C9 | C10 | H101 | 55.7° | 60.0° |
| C11 | C9 | C10 | H102 | 53.7° | 60.0° |
| C9 | C11 | N12 | O17 | 177.9° | 179.9° |
| C9 | C11 | N12 | C13 | 179.7° | 180.0° |
| C9 | C11 | N12 | H12 | 0.3° | 0.0° |
| C11 | N12 | C13 | H12 | 180.0° | 180.0° |
| C11 | N12 | C13 | C14 | 66.3° | 180.0° |
| C11 | N12 | C13 | H131 | 59.0° | 60.0° |
| C11 | N12 | C13 | H132 | 168.5° | 60.0° |
| O17 | C11 | N12 | C13 | 1.8° | 0.0° |
| O17 | C11 | N12 | H12 | 178.2° | 179.9° |
| N12 | C13 | C14 | H131 | 125.3° | 120.0° |
| N12 | C13 | C14 | H132 | 125.3° | 120.0° |
| N12 | C13 | H131 | H132 | 113.4° | 120.0° |
| N12 | C13 | C14 | C15 | 55.7° | 180.0° |
| N12 | C13 | C14 | H141 | 69.5° | 60.0° |
| N12 | C13 | C14 | H142 | 179.0° | 60.0° |
| H12 | N12 | C13 | C14 | 113.8° | 0.0° |
| H12 | N12 | C13 | H131 | 120.9° | 120.0° |
| H12 | N12 | C13 | H132 | 11.5° | 119.9° |
| C14 | C13 | H131 | H132 | 113.4° | 120.0° |
| C13 | C14 | C15 | H141 | 125.3° | 119.9° |
| C13 | C14 | C15 | H142 | 125.3° | 120.0° |
| C13 | C14 | H141 | H142 | 116.4° | 120.1° |
| C13 | C14 | C15 | C16 | 117.7° | 180.0° |
| C13 | C14 | C15 | H151 | 7.6° | 60.1° |
| C13 | C14 | C15 | H152 | 117.0° | 60.0° |
| H131 | C13 | C14 | C15 | 179.0° | 60.0° |
| H131 | C13 | C14 | H141 | 55.8° | 180.0° |
| H131 | C13 | C14 | H142 | 53.7° | 60.0° |
| H132 | C13 | C14 | C15 | 69.5° | 60.0° |
| H132 | C13 | C14 | H141 | 165.2° | 59.9° |
| H132 | C13 | C14 | H142 | 55.7° | 180.0° |
| C15 | C14 | H141 | H142 | 116.4° | 120.0° |
| C14 | C15 | C16 | H151 | 125.3° | 120.0° |
| C14 | C15 | C16 | H152 | 125.3° | 120.0° |
| C14 | C15 | H151 | H152 | 114.6° | 120.1° |
| C14 | C15 | C16 | N31 | 57.8° | 180.0° |
| C14 | C15 | C16 | H161 | 67.4° | 60.0° |
| C14 | C15 | C16 | H162 | 176.9° | 60.0° |
| H141 | C14 | C15 | C16 | 117.0° | 60.1° |
| H141 | C14 | C15 | H151 | 117.7° | 180.0° |
| H141 | C14 | C15 | H152 | 8.2° | 59.9° |
| H142 | C14 | C15 | C16 | 7.6° | 60.0° |
| H142 | C14 | C15 | H151 | 132.8° | 60.0° |
| H142 | C14 | C15 | H152 | 117.7° | 179.9° |
| C16 | C15 | H151 | H152 | 114.5° | 120.0° |
| C15 | C16 | N31 | H161 | 125.3° | 120.0° |
| C15 | C16 | N31 | H162 | 125.3° | 120.0° |
| C15 | C16 | H161 | H162 | 110.7° | 120.0° |
| C15 | C16 | N31 | S33 | 65.2° | 163.8° |
| C15 | C16 | N31 | H31 | 60.0° | 16.2° |
| H151 | C15 | C16 | N31 | 176.9° | 60.0° |
| H151 | C15 | C16 | H161 | 57.8° | 180.0° |
| H151 | C15 | C16 | H162 | 51.7° | 59.9° |
| H152 | C15 | C16 | N31 | 67.5° | 60.0° |
| H152 | C15 | C16 | H161 | 167.3° | 59.9° |
| H152 | C15 | C16 | H162 | 57.8° | 180.0° |
| N31 | C16 | H161 | H162 | 110.7° | 120.0° |
| C16 | N31 | S33 | H31 | 125.2° | 180.0° |
| C16 | N31 | S33 | O32 | 167.3° | 176.8° |
| C16 | N31 | S33 | O34 | 39.5° | 48.4° |
| C16 | N31 | S33 | C18 | 76.7° | 64.2° |
| H161 | C16 | N31 | S33 | 169.5° | 76.3° |
| H161 | C16 | N31 | H31 | 65.3° | 103.7° |
| H162 | C16 | N31 | S33 | 60.0° | 43.8° |
| H162 | C16 | N31 | H31 | 174.7° | 136.2° |
| N31 | S33 | O32 | O34 | 127.1° | 123.2° |
| N31 | S33 | O32 | C18 | 107.0° | 113.7° |
| N31 | S33 | O34 | C18 | 110.0° | 113.7° |
| N31 | S33 | C18 | C19 | 119.6° | 116.1° |
| N31 | S33 | C18 | C23 | 60.6° | 64.4° |
| H31 | N31 | S33 | O32 | 42.0° | 3.2° |
| H31 | N31 | S33 | O34 | 85.8° | 131.6° |
| H31 | N31 | S33 | C18 | 158.0° | 115.8° |
| O32 | S33 | O34 | C18 | 127.1° | 123.1° |
| O32 | S33 | C18 | C19 | 129.1° | 131.3° |
| O32 | S33 | C18 | C23 | 50.8° | 48.2° |
| O34 | S33 | C18 | C19 | 0.1° | 3.5° |
| O34 | S33 | C18 | C23 | 179.8° | 177.0° |
| S33 | C18 | C19 | C23 | 179.9° | 179.5° |
| S33 | C18 | C19 | C20 | 179.9° | 180.0° |
| S33 | C18 | C19 | H19 | 0.0° | 0.3° |
| S33 | C18 | C23 | C22 | 180.0° | 180.0° |
| S33 | C18 | C23 | C24 | 0.1° | 0.3° |
| C27 | N28 | C28 | C29 | 126.1° | 113.8° |
| N28 | C27 | C22 | C21 | 0.0° | 0.2° |
| N28 | C27 | C22 | C23 | 180.0° | 179.7° |
| N28 | C27 | C22 | C26 | 180.0° | 179.7° |
| N28 | C27 | C26 | C25 | 179.9° | 180.0° |
| N28 | C27 | C26 | H26 | 0.1° | 0.0° |
| C27 | N28 | C28 | H281 | 54.7° | 180.0° |
| C27 | N28 | C28 | H282 | 180.0° | 60.0° |
| C27 | N28 | C28 | H283 | 54.7° | 60.0° |
| C27 | N28 | C29 | H291 | 54.8° | 66.2° |
| C27 | N28 | C29 | H292 | 180.0° | 173.8° |
| C27 | N28 | C29 | H293 | 54.7° | 53.8° |
| C28 | N28 | C27 | C22 | 126.9° | 119.7° |
| C28 | N28 | C27 | C26 | 53.1° | 60.0° |
| N28 | C28 | H281 | H282 | 126.6° | 120.1° |
| N28 | C28 | H281 | H283 | 116.7° | 120.0° |
| N28 | C28 | H282 | H283 | 125.3° | 120.0° |
| C28 | N28 | C29 | H291 | 179.4° | 180.0° |
| C28 | N28 | C29 | H292 | 54.2° | 60.0° |
| C28 | N28 | C29 | H293 | 71.1° | 60.0° |
| C29 | N28 | C27 | C22 | 110.6° | 126.5° |
| C29 | N28 | C27 | C26 | 69.4° | 53.8° |
| C29 | N28 | C28 | H281 | 71.4° | 66.2° |
| C29 | N28 | C28 | H282 | 53.9° | 173.7° |
| C29 | N28 | C28 | H283 | 179.2° | 53.8° |
| N28 | C29 | H291 | H292 | 126.9° | 120.0° |
| N28 | C29 | H291 | H293 | 116.6° | 120.0° |
| N28 | C29 | H292 | H293 | 125.3° | 120.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.7° |
| C18 | C19 | C20 | C21 | 0.0° | 0.3° |
| C18 | C19 | C20 | H20 | 180.0° | 179.8° |
| C19 | C18 | C23 | C22 | 0.1° | 0.5° |
| C19 | C18 | C23 | C24 | 179.9° | 179.8° |
| C23 | C18 | C19 | C20 | 0.0° | 0.5° |
| C23 | C18 | C19 | H19 | 179.9° | 179.8° |
| C18 | C23 | C22 | C21 | 0.0° | 0.2° |
| C18 | C23 | C22 | C24 | 180.0° | 179.8° |
| C18 | C23 | C22 | C27 | 180.0° | 179.7° |
| C18 | C23 | C24 | C25 | 180.0° | 180.0° |
| C18 | C23 | C24 | H24 | 0.0° | 0.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C19 | C20 | C21 | H21 | 179.9° | 180.0° |
| H19 | C19 | C20 | C21 | 180.0° | 180.0° |
| H19 | C19 | C20 | H20 | 0.0° | 0.1° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C20 | C21 | C22 | C27 | 179.9° | 179.5° |
| H20 | C20 | C21 | C22 | 179.9° | 180.0° |
| H20 | C20 | C21 | H21 | 0.1° | 0.1° |
| C21 | C22 | C23 | C27 | 180.0° | 179.5° |
| C21 | C22 | C23 | C24 | 180.0° | 180.0° |
| C21 | C22 | C27 | C26 | 180.0° | 180.0° |
| H21 | C21 | C22 | C23 | 179.9° | 180.0° |
| H21 | C21 | C22 | C27 | 0.1° | 0.5° |
| C22 | C23 | C24 | C25 | 0.0° | 0.2° |
| C22 | C23 | C24 | H24 | 180.0° | 179.8° |
| C23 | C22 | C27 | C26 | 0.0° | 0.5° |
| C27 | C22 | C23 | C24 | 0.0° | 0.5° |
| C22 | C27 | C26 | C25 | 0.0° | 0.3° |
| C22 | C27 | C26 | H26 | 180.0° | 179.7° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.0° | 0.1° |
| C23 | C24 | C25 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.0° | 0.0° |
| C24 | C25 | C26 | H26 | 180.0° | 179.9° |
| H24 | C24 | C25 | C26 | 180.0° | 180.0° |
| H24 | C24 | C25 | H25 | 0.0° | 0.0° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| H25 | C25 | C26 | C27 | 180.0° | 180.0° |
| H25 | C25 | C26 | H26 | 0.0° | 0.0° |
| H281 | C28 | H282 | H283 | 109.5° | 120.0° |
| H291 | C29 | H292 | H293 | 109.5° | 119.9° |
