A6B
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.54Å | |
| C1 | C6 | sing | 1.53Å | 1.54Å | |
| C1 | C7 | sing | 1.53Å | 1.53Å | |
| C1 | C11 | sing | 1.51Å | 1.51Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | C8 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | C9 | sing | 1.53Å | 1.54Å | |
| C7 | C10 | sing | 1.53Å | 1.55Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C11 | N12 | sing | 1.35Å | 1.34Å | |
| C11 | O13 | doub | 1.21Å | 1.22Å | |
| N12 | C14 | sing | 1.47Å | 1.47Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | N36 | sing | 1.47Å | 1.45Å | |
| C21 | N22 | sing | 1.34Å | 1.34Å | |
| C21 | N25 | sing | 1.34Å | 1.36Å | |
| C21 | O29 | doub | 1.22Å | 1.25Å | |
| N22 | C23 | sing | 1.47Å | 1.46Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C28 | sing | 1.54Å | 1.53Å | |
| C24 | N25 | sing | 1.47Å | 1.48Å | |
| C24 | C26 | sing | 1.54Å | 1.56Å | |
| C26 | S27 | sing | 1.84Å | 1.80Å | |
| S27 | C28 | sing | 1.84Å | 1.76Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C33 | C34 | sing | 1.51Å | 1.52Å | |
| C34 | O35 | doub | 1.21Å | 1.22Å | |
| C34 | N36 | sing | 1.35Å | 1.33Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| N22 | HN22 | sing | 0.97Å | 1.00Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| N25 | HN25 | sing | 0.97Å | 1.00Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| N36 | HN36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 109.5° | 109.4° |
| C2 | C1 | C7 | 108.6° | 109.5° |
| C2 | C1 | C11 | 109.1° | 109.5° |
| C1 | C2 | C3 | 110.0° | 109.5° |
| C1 | C2 | H2 | 109.3° | 109.5° |
| C1 | C2 | H2A | 109.3° | 109.5° |
| C6 | C1 | C7 | 109.5° | 109.5° |
| C6 | C1 | C11 | 110.0° | 109.4° |
| C1 | C6 | C5 | 109.9° | 109.4° |
| C1 | C6 | H6 | 109.3° | 109.5° |
| C1 | C6 | H6A | 109.3° | 109.5° |
| C7 | C1 | C11 | 110.0° | 109.5° |
| C1 | C7 | C10 | 110.3° | 109.5° |
| C1 | C7 | H7 | 109.2° | 109.5° |
| C1 | C7 | H7A | 109.2° | 109.5° |
| C1 | C11 | N12 | 117.4° | 120.0° |
| C1 | C11 | O13 | 119.6° | 120.0° |
| C2 | C3 | C4 | 109.4° | 109.5° |
| C2 | C3 | C8 | 109.1° | 109.5° |
| C3 | C2 | H2 | 109.3° | 109.5° |
| C3 | C2 | H2A | 109.3° | 109.5° |
| C2 | C3 | H3 | 109.9° | 109.4° |
| C4 | C3 | C8 | 109.9° | 109.5° |
| C3 | C4 | C5 | 110.3° | 109.5° |
| C4 | C3 | H3 | 109.1° | 109.5° |
| C3 | C4 | H4 | 109.2° | 109.5° |
| C3 | C4 | H4A | 109.2° | 109.5° |
| C3 | C8 | C10 | 109.9° | 109.5° |
| C8 | C3 | H3 | 109.5° | 109.5° |
| C3 | C8 | H8 | 109.3° | 109.5° |
| C3 | C8 | H8A | 109.3° | 109.5° |
| C4 | C5 | C6 | 109.9° | 109.5° |
| C4 | C5 | C9 | 106.4° | 109.4° |
| C5 | C4 | H4 | 109.2° | 109.4° |
| C5 | C4 | H4A | 109.2° | 109.5° |
| C4 | C5 | H5 | 111.3° | 109.5° |
| C6 | C5 | C9 | 109.7° | 109.5° |
| C6 | C5 | H5 | 108.0° | 109.5° |
| C5 | C6 | H6 | 109.3° | 109.5° |
| C5 | C6 | H6A | 109.3° | 109.4° |
| C5 | C9 | C10 | 111.3° | 109.5° |
| C9 | C5 | H5 | 111.4° | 109.4° |
| C5 | C9 | H9 | 108.9° | 109.4° |
| C5 | C9 | H9A | 108.9° | 109.4° |
| C7 | C10 | C8 | 109.1° | 109.5° |
| C7 | C10 | C9 | 109.6° | 109.5° |
| C10 | C7 | H7 | 109.2° | 109.4° |
| C10 | C7 | H7A | 109.2° | 109.4° |
| C7 | C10 | H10 | 109.1° | 109.5° |
| C8 | C10 | C9 | 107.9° | 109.4° |
| C10 | C8 | H8 | 109.3° | 109.5° |
| C10 | C8 | H8A | 109.3° | 109.4° |
| C8 | C10 | H10 | 110.8° | 109.5° |
| C10 | C9 | H9 | 108.8° | 109.5° |
| C10 | C9 | H9A | 108.9° | 109.5° |
| C9 | C10 | H10 | 110.3° | 109.5° |
| N12 | C11 | O13 | 123.0° | 120.0° |
| C11 | N12 | C14 | 122.5° | 120.0° |
| C11 | N12 | HN12 | 118.7° | 120.0° |
| N12 | C14 | C15 | 113.7° | 109.5° |
| C14 | N12 | HN12 | 118.8° | 120.0° |
| N12 | C14 | H14 | 108.1° | 109.4° |
| N12 | C14 | H14A | 108.1° | 109.5° |
| C14 | C15 | C16 | 109.0° | 109.5° |
| C15 | C14 | H14 | 108.1° | 109.4° |
| C15 | C14 | H14A | 108.1° | 109.5° |
| C14 | C15 | H15 | 109.6° | 109.4° |
| C14 | C15 | H15A | 109.7° | 109.5° |
| C15 | C16 | C17 | 112.5° | 109.4° |
| C16 | C15 | H15 | 109.7° | 109.5° |
| C16 | C15 | H15A | 109.6° | 109.5° |
| C15 | C16 | H16 | 108.5° | 109.5° |
| C15 | C16 | H16A | 108.5° | 109.5° |
| C16 | C17 | C18 | 108.8° | 109.4° |
| C17 | C16 | H16 | 108.5° | 109.5° |
| C17 | C16 | H16A | 108.5° | 109.4° |
| C16 | C17 | H17 | 109.7° | 109.5° |
| C16 | C17 | H17A | 109.7° | 109.4° |
| C17 | C18 | C19 | 111.4° | 109.5° |
| C18 | C17 | H17 | 109.7° | 109.5° |
| C18 | C17 | H17A | 109.7° | 109.5° |
| C17 | C18 | H18 | 108.8° | 109.5° |
| C17 | C18 | H18A | 108.8° | 109.5° |
| C18 | C19 | N36 | 113.1° | 109.5° |
| C19 | C18 | H18 | 108.8° | 109.4° |
| C19 | C18 | H18A | 108.8° | 109.5° |
| C18 | C19 | H19 | 108.3° | 109.4° |
| C18 | C19 | H19A | 108.3° | 109.5° |
| C19 | N36 | C34 | 122.4° | 120.0° |
| N36 | C19 | H19 | 108.3° | 109.4° |
| N36 | C19 | H19A | 108.2° | 109.5° |
| C19 | N36 | HN36 | 118.8° | 120.0° |
| N22 | C21 | N25 | 110.5° | 113.9° |
| N22 | C21 | O29 | 124.3° | 123.1° |
| C21 | N22 | C23 | 111.8° | 109.0° |
| C21 | N22 | HN22 | 124.1° | 125.5° |
| N25 | C21 | O29 | 125.2° | 123.0° |
| C21 | N25 | C24 | 110.3° | 109.1° |
| C21 | N25 | HN25 | 124.8° | 125.5° |
| N22 | C23 | C24 | 103.5° | 104.0° |
| N22 | C23 | C28 | 114.0° | 109.2° |
| C23 | N22 | HN22 | 124.1° | 125.5° |
| N22 | C23 | H23 | 111.8° | 110.2° |
| C24 | C23 | C28 | 113.1° | 112.4° |
| C23 | C24 | N25 | 102.8° | 104.0° |
| C23 | C24 | C26 | 113.0° | 112.4° |
| C24 | C23 | H23 | 112.7° | 110.3° |
| C23 | C24 | H24 | 112.1° | 110.2° |
| C23 | C28 | S27 | 105.8° | 102.7° |
| C23 | C28 | C30 | 113.8° | 110.8° |
| C28 | C23 | H23 | 102.0° | 110.5° |
| C23 | C28 | H28 | 109.9° | 110.7° |
| N25 | C24 | C26 | 111.0° | 109.2° |
| N25 | C24 | H24 | 114.1° | 110.3° |
| C24 | N25 | HN25 | 124.8° | 125.4° |
| C24 | C26 | S27 | 104.3° | 102.7° |
| C26 | C24 | H24 | 104.1° | 110.6° |
| C24 | C26 | H26 | 111.2° | 110.8° |
| C24 | C26 | H26A | 111.2° | 110.7° |
| C26 | S27 | C28 | 102.1° | 94.8° |
| S27 | C26 | H26 | 111.2° | 110.8° |
| S27 | C26 | H26A | 111.2° | 110.7° |
| S27 | C28 | C30 | 111.9° | 110.8° |
| S27 | C28 | H28 | 112.0° | 110.7° |
| C28 | C30 | C31 | 110.8° | 109.5° |
| C30 | C28 | H28 | 103.6° | 110.8° |
| C28 | C30 | H30 | 109.0° | 109.4° |
| C28 | C30 | H30A | 109.0° | 109.5° |
| C30 | C31 | C32 | 110.8° | 109.5° |
| C31 | C30 | H30 | 109.0° | 109.5° |
| C31 | C30 | H30A | 109.0° | 109.5° |
| C30 | C31 | H31 | 109.0° | 109.5° |
| C30 | C31 | H31A | 109.0° | 109.5° |
| C31 | C32 | C33 | 111.4° | 109.5° |
| C32 | C31 | H31 | 109.0° | 109.5° |
| C32 | C31 | H31A | 109.0° | 109.4° |
| C31 | C32 | H32 | 108.8° | 109.4° |
| C31 | C32 | H32A | 108.8° | 109.5° |
| C32 | C33 | C34 | 110.6° | 109.5° |
| C33 | C32 | H32 | 108.8° | 109.5° |
| C33 | C32 | H32A | 108.8° | 109.4° |
| C32 | C33 | H33 | 109.1° | 109.5° |
| C32 | C33 | H33A | 109.1° | 109.4° |
| C33 | C34 | O35 | 120.5° | 120.0° |
| C33 | C34 | N36 | 117.5° | 120.0° |
| C34 | C33 | H33 | 109.1° | 109.5° |
| C34 | C33 | H33A | 109.1° | 109.5° |
| O35 | C34 | N36 | 122.0° | 120.0° |
| C34 | N36 | HN36 | 118.8° | 120.0° |
| H2 | C2 | H2A | 109.6° | 109.4° |
| H4 | C4 | H4A | 109.7° | 109.5° |
| H6 | C6 | H6A | 109.6° | 109.5° |
| H7 | C7 | H7A | 109.7° | 109.5° |
| H8 | C8 | H8A | 109.6° | 109.4° |
| H9 | C9 | H9A | 110.1° | 109.5° |
| H14 | C14 | H14A | 110.8° | 109.5° |
| H15 | C15 | H15A | 109.3° | 109.5° |
| H16 | C16 | H16A | 110.4° | 109.5° |
| H17 | C17 | H17A | 109.2° | 109.5° |
| H18 | C18 | H18A | 110.1° | 109.5° |
| H19 | C19 | H19A | 110.7° | 109.5° |
| H26 | C26 | H26A | 107.7° | 110.8° |
| H30 | C30 | H30A | 109.9° | 109.5° |
| H31 | C31 | H31A | 109.9° | 109.4° |
| H32 | C32 | H32A | 110.1° | 109.5° |
| H33 | C33 | H33A | 109.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | C7 | 119.0° | 120.0° |
| C2 | C1 | C6 | C11 | 120.0° | 119.9° |
| C2 | C1 | C7 | C11 | 119.4° | 120.0° |
| C1 | C2 | C3 | H2 | 120.0° | 120.0° |
| C1 | C2 | C3 | H2A | 120.0° | 120.0° |
| C1 | C2 | C3 | C4 | 59.8° | 60.0° |
| C1 | C2 | C3 | C8 | 60.4° | 60.0° |
| C2 | C1 | C6 | C5 | 58.8° | 60.0° |
| C2 | C1 | C7 | C10 | 59.5° | 60.0° |
| C2 | C1 | C11 | N12 | 172.1° | 180.0° |
| C2 | C1 | C11 | O13 | 8.6° | 0.0° |
| C1 | C2 | H2 | H2A | 119.8° | 120.0° |
| C1 | C2 | C3 | H3 | 179.6° | 180.0° |
| C2 | C1 | C6 | H6 | 178.8° | 180.0° |
| C2 | C1 | C6 | H6A | 61.2° | 60.0° |
| C2 | C1 | C7 | H7 | 60.5° | 60.0° |
| C2 | C1 | C7 | H7A | 179.5° | 179.9° |
| C6 | C1 | C7 | C11 | 121.1° | 120.0° |
| C6 | C1 | C2 | C3 | 59.7° | 60.0° |
| C1 | C6 | C5 | C4 | 58.3° | 60.0° |
| C1 | C6 | C5 | H6 | 120.0° | 120.0° |
| C1 | C6 | C5 | H6A | 120.0° | 120.0° |
| C1 | C6 | C5 | C9 | 58.4° | 60.0° |
| C6 | C1 | C7 | C10 | 60.1° | 60.0° |
| C6 | C1 | C11 | N12 | 51.9° | 60.1° |
| C6 | C1 | C11 | O13 | 128.8° | 120.0° |
| C6 | C1 | C2 | H2 | 60.3° | 60.0° |
| C6 | C1 | C2 | H2A | 179.7° | 179.9° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| C1 | C6 | H6 | H6A | 119.8° | 120.0° |
| C6 | C1 | C7 | H7 | 179.9° | 180.0° |
| C6 | C1 | C7 | H7A | 59.9° | 60.0° |
| C7 | C1 | C2 | C3 | 59.8° | 60.0° |
| C7 | C1 | C6 | C5 | 60.1° | 60.0° |
| C1 | C7 | C10 | H7 | 120.0° | 120.0° |
| C1 | C7 | C10 | H7A | 120.0° | 120.0° |
| C1 | C7 | C10 | C8 | 59.8° | 60.0° |
| C1 | C7 | C10 | C9 | 58.1° | 60.0° |
| C7 | C1 | C11 | N12 | 68.9° | 60.0° |
| C7 | C1 | C11 | O13 | 110.4° | 120.0° |
| C7 | C1 | C2 | H2 | 179.9° | 180.0° |
| C7 | C1 | C2 | H2A | 60.1° | 60.0° |
| C7 | C1 | C6 | H6 | 59.9° | 60.0° |
| C7 | C1 | C6 | H6A | 179.9° | 180.0° |
| C1 | C7 | H7 | H7A | 119.7° | 120.0° |
| C1 | C7 | C10 | H10 | 179.0° | 180.0° |
| C11 | C1 | C2 | C3 | 179.8° | 180.0° |
| C11 | C1 | C6 | C5 | 178.8° | 179.9° |
| C11 | C1 | C7 | C10 | 178.8° | 180.0° |
| C1 | C11 | N12 | O13 | 179.3° | 180.0° |
| C1 | C11 | N12 | C14 | 174.9° | 180.0° |
| C11 | C1 | C2 | H2 | 60.2° | 60.0° |
| C11 | C1 | C2 | H2A | 59.8° | 60.0° |
| C11 | C1 | C6 | H6 | 61.2° | 60.1° |
| C11 | C1 | C6 | H6A | 58.8° | 60.0° |
| C11 | C1 | C7 | H7 | 58.8° | 60.0° |
| C11 | C1 | C7 | H7A | 61.2° | 60.0° |
| C1 | C11 | N12 | HN12 | 5.2° | 0.0° |
| C2 | C3 | C4 | C8 | 119.7° | 120.0° |
| C2 | C3 | C4 | H3 | 120.3° | 120.0° |
| C2 | C3 | C8 | H3 | 120.3° | 120.0° |
| C2 | C3 | C4 | C5 | 59.2° | 60.0° |
| C2 | C3 | C8 | C10 | 60.3° | 60.0° |
| C3 | C2 | H2 | H2A | 119.8° | 120.0° |
| C2 | C3 | C4 | H4 | 60.8° | 60.0° |
| C2 | C3 | C4 | H4A | 179.2° | 180.0° |
| C2 | C3 | C8 | H8 | 179.6° | 180.0° |
| C2 | C3 | C8 | H8A | 59.7° | 60.0° |
| C4 | C3 | C8 | H3 | 119.8° | 120.0° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 120.0° | 120.0° |
| C3 | C4 | C5 | C6 | 58.6° | 60.0° |
| C3 | C4 | C5 | C9 | 60.1° | 60.0° |
| C4 | C3 | C8 | C10 | 59.6° | 60.0° |
| C4 | C3 | C2 | H2 | 60.2° | 60.0° |
| C4 | C3 | C2 | H2A | 179.8° | 180.0° |
| C3 | C4 | H4 | H4A | 119.7° | 120.0° |
| C3 | C4 | C5 | H5 | 178.3° | 180.0° |
| C4 | C3 | C8 | H8 | 60.4° | 60.0° |
| C4 | C3 | C8 | H8A | 179.6° | 180.0° |
| C8 | C3 | C4 | C5 | 60.5° | 60.0° |
| C3 | C8 | C10 | C7 | 59.8° | 60.0° |
| C3 | C8 | C10 | H8 | 120.0° | 120.1° |
| C3 | C8 | C10 | H8A | 120.0° | 120.0° |
| C3 | C8 | C10 | C9 | 59.2° | 60.0° |
| C8 | C3 | C2 | H2 | 179.6° | 180.0° |
| C8 | C3 | C2 | H2A | 59.6° | 60.0° |
| C8 | C3 | C4 | H4 | 179.5° | 180.0° |
| C8 | C3 | C4 | H4A | 59.5° | 60.0° |
| C3 | C8 | H8 | H8A | 119.8° | 120.0° |
| C3 | C8 | C10 | H10 | 180.0° | 180.0° |
| C4 | C5 | C6 | C9 | 116.7° | 120.0° |
| C4 | C5 | C6 | H5 | 121.6° | 120.1° |
| C4 | C5 | C9 | H5 | 121.5° | 120.0° |
| C4 | C5 | C9 | C10 | 61.6° | 60.0° |
| C5 | C4 | C3 | H3 | 179.5° | 179.9° |
| C5 | C4 | H4 | H4A | 119.7° | 120.0° |
| C4 | C5 | C6 | H6 | 178.3° | 180.0° |
| C4 | C5 | C6 | H6A | 61.7° | 60.0° |
| C4 | C5 | C9 | H9 | 178.4° | 180.0° |
| C4 | C5 | C9 | H9A | 58.4° | 60.0° |
| C6 | C5 | C9 | H5 | 119.6° | 120.0° |
| C6 | C5 | C9 | C10 | 57.2° | 60.0° |
| C6 | C5 | C4 | H4 | 61.4° | 60.0° |
| C6 | C5 | C4 | H4A | 178.6° | 180.0° |
| C5 | C6 | H6 | H6A | 119.8° | 120.0° |
| C6 | C5 | C9 | H9 | 62.8° | 60.0° |
| C6 | C5 | C9 | H9A | 177.2° | 180.0° |
| C5 | C9 | C10 | C7 | 56.8° | 60.0° |
| C5 | C9 | C10 | C8 | 61.8° | 60.0° |
| C5 | C9 | C10 | H9 | 120.0° | 120.0° |
| C5 | C9 | C10 | H9A | 120.0° | 120.0° |
| C9 | C5 | C4 | H4 | 179.9° | 180.0° |
| C9 | C5 | C4 | H4A | 59.9° | 60.0° |
| C9 | C5 | C6 | H6 | 61.6° | 60.0° |
| C9 | C5 | C6 | H6A | 178.4° | 180.0° |
| C5 | C9 | H9 | H9A | 119.2° | 120.0° |
| C5 | C9 | C10 | H10 | 177.0° | 180.0° |
| C7 | C10 | C8 | C9 | 119.0° | 120.0° |
| C7 | C10 | C8 | H10 | 120.2° | 120.0° |
| C7 | C10 | C9 | H10 | 120.2° | 120.0° |
| C10 | C7 | H7 | H7A | 119.7° | 120.0° |
| C7 | C10 | C8 | H8 | 179.8° | 180.0° |
| C7 | C10 | C8 | H8A | 60.2° | 60.0° |
| C7 | C10 | C9 | H9 | 63.2° | 60.0° |
| C7 | C10 | C9 | H9A | 176.9° | 180.0° |
| C8 | C10 | C9 | H10 | 121.1° | 120.0° |
| C10 | C8 | C3 | H3 | 179.4° | 180.0° |
| C8 | C10 | C7 | H7 | 60.2° | 60.0° |
| C8 | C10 | C7 | H7A | 179.8° | 179.9° |
| C10 | C8 | H8 | H8A | 119.8° | 119.9° |
| C8 | C10 | C9 | H9 | 178.2° | 180.0° |
| C8 | C10 | C9 | H9A | 58.2° | 60.0° |
| C10 | C9 | C5 | H5 | 176.8° | 180.0° |
| C9 | C10 | C7 | H7 | 178.1° | 180.0° |
| C9 | C10 | C7 | H7A | 61.9° | 60.0° |
| C9 | C10 | C8 | H8 | 60.8° | 60.1° |
| C9 | C10 | C8 | H8A | 179.2° | 180.0° |
| C10 | C9 | H9 | H9A | 119.3° | 120.0° |
| C11 | N12 | C14 | HN12 | 180.0° | 180.0° |
| C11 | N12 | C14 | C15 | 92.8° | 180.0° |
| C11 | N12 | C14 | H14 | 147.2° | 60.1° |
| C11 | N12 | C14 | H14A | 27.2° | 59.9° |
| O13 | C11 | N12 | C14 | 5.8° | 0.0° |
| O13 | C11 | N12 | HN12 | 174.2° | 180.0° |
| N12 | C14 | C15 | H14 | 120.0° | 119.9° |
| N12 | C14 | C15 | H14A | 120.0° | 120.0° |
| N12 | C14 | C15 | C16 | 70.5° | 180.0° |
| N12 | C14 | H14 | H14A | 118.3° | 120.0° |
| N12 | C14 | C15 | H15 | 169.5° | 60.1° |
| N12 | C14 | C15 | H15A | 49.5° | 59.9° |
| C14 | C15 | C16 | H15 | 120.0° | 119.9° |
| C14 | C15 | C16 | H15A | 120.0° | 120.0° |
| C14 | C15 | C16 | C17 | 172.3° | 180.0° |
| C15 | C14 | N12 | HN12 | 87.2° | 0.0° |
| C15 | C14 | H14 | H14A | 118.2° | 120.0° |
| C14 | C15 | H15 | H15A | 120.2° | 120.0° |
| C14 | C15 | C16 | H16 | 67.7° | 60.1° |
| C14 | C15 | C16 | H16A | 52.2° | 60.0° |
| C15 | C16 | C17 | H16 | 120.0° | 120.0° |
| C15 | C16 | C17 | H16A | 120.0° | 120.0° |
| C15 | C16 | C17 | C18 | 165.8° | 180.0° |
| C16 | C15 | C14 | H14 | 49.5° | 60.0° |
| C16 | C15 | C14 | H14A | 169.5° | 60.0° |
| C16 | C15 | H15 | H15A | 120.2° | 120.1° |
| C15 | C16 | H16 | H16A | 118.8° | 120.1° |
| C15 | C16 | C17 | H17 | 45.8° | 60.0° |
| C15 | C16 | C17 | H17A | 74.2° | 60.0° |
| C16 | C17 | C18 | H17 | 120.0° | 120.0° |
| C16 | C17 | C18 | H17A | 120.0° | 120.0° |
| C16 | C17 | C18 | C19 | 157.3° | 180.0° |
| C17 | C16 | C15 | H15 | 52.3° | 60.0° |
| C17 | C16 | C15 | H15A | 67.7° | 60.0° |
| C17 | C16 | H16 | H16A | 118.8° | 120.0° |
| C16 | C17 | H17 | H17A | 120.3° | 120.0° |
| C16 | C17 | C18 | H18 | 37.3° | 60.0° |
| C16 | C17 | C18 | H18A | 82.7° | 60.0° |
| C17 | C18 | C19 | H18 | 120.0° | 120.0° |
| C17 | C18 | C19 | H18A | 120.0° | 120.0° |
| C17 | C18 | C19 | N36 | 71.0° | 180.0° |
| C18 | C17 | C16 | H16 | 74.2° | 60.0° |
| C18 | C17 | C16 | H16A | 45.8° | 60.0° |
| C18 | C17 | H17 | H17A | 120.3° | 120.1° |
| C17 | C18 | H18 | H18A | 119.2° | 120.1° |
| C17 | C18 | C19 | H19 | 49.0° | 60.0° |
| C17 | C18 | C19 | H19A | 169.0° | 60.0° |
| C18 | C19 | N36 | H19 | 120.0° | 119.9° |
| C18 | C19 | N36 | H19A | 120.0° | 120.1° |
| C18 | C19 | N36 | C34 | 120.1° | 180.0° |
| C19 | C18 | C17 | H17 | 82.8° | 60.1° |
| C19 | C18 | C17 | H17A | 37.2° | 60.0° |
| C19 | C18 | H18 | H18A | 119.2° | 120.0° |
| C18 | C19 | H19 | H19A | 118.5° | 120.0° |
| C18 | C19 | N36 | HN36 | 59.9° | 0.0° |
| C19 | N36 | C34 | C33 | 68.2° | 180.0° |
| C19 | N36 | C34 | O35 | 111.9° | 0.0° |
| C19 | N36 | C34 | HN36 | 180.0° | 180.0° |
| N36 | C19 | C18 | H18 | 169.0° | 60.1° |
| N36 | C19 | C18 | H18A | 49.0° | 59.9° |
| N36 | C19 | H19 | H19A | 118.5° | 120.0° |
| N22 | C21 | N25 | O29 | 179.9° | 179.8° |
| C21 | N22 | C23 | HN22 | 180.0° | 179.9° |
| C21 | N22 | C23 | C24 | 9.5° | 0.0° |
| C21 | N22 | C23 | C28 | 132.7° | 120.2° |
| N22 | C21 | N25 | C24 | 1.8° | 0.0° |
| C21 | N22 | C23 | H23 | 112.2° | 118.2° |
| N22 | C21 | N25 | HN25 | 178.2° | 180.0° |
| N25 | C21 | N22 | C23 | 5.1° | 0.0° |
| C21 | N25 | C24 | C23 | 7.4° | 0.0° |
| C21 | N25 | C24 | HN25 | 180.0° | 180.0° |
| C21 | N25 | C24 | C26 | 113.7° | 120.2° |
| N25 | C21 | N22 | HN22 | 174.8° | 179.9° |
| C21 | N25 | C24 | H24 | 129.0° | 118.2° |
| O29 | C21 | N22 | C23 | 174.7° | 179.7° |
| O29 | C21 | N25 | C24 | 178.3° | 179.7° |
| O29 | C21 | N22 | HN22 | 5.3° | 0.3° |
| O29 | C21 | N25 | HN25 | 1.7° | 0.2° |
| N22 | C23 | C24 | C28 | 123.8° | 118.0° |
| N22 | C23 | C24 | H23 | 121.0° | 118.2° |
| N22 | C23 | C28 | H23 | 120.7° | 121.4° |
| N22 | C23 | C24 | N25 | 9.6° | 0.0° |
| N22 | C23 | C24 | C26 | 110.1° | 118.0° |
| N22 | C23 | C28 | S27 | 104.8° | 90.3° |
| N22 | C23 | C28 | C30 | 18.5° | 28.1° |
| N22 | C23 | C24 | H24 | 132.6° | 118.2° |
| N22 | C23 | C28 | H28 | 134.2° | 151.4° |
| C24 | C23 | C28 | H23 | 121.4° | 123.7° |
| C23 | C24 | N25 | C26 | 121.1° | 120.1° |
| C23 | C24 | N25 | H24 | 121.6° | 118.2° |
| C23 | C24 | C26 | H24 | 121.9° | 123.6° |
| C23 | C24 | C26 | S27 | 7.3° | 24.7° |
| C24 | C23 | C28 | S27 | 13.1° | 24.6° |
| C24 | C23 | C28 | C30 | 136.4° | 143.0° |
| C24 | C23 | N22 | HN22 | 170.5° | 179.9° |
| C23 | C24 | N25 | HN25 | 172.6° | 180.0° |
| C23 | C24 | C26 | H26 | 127.2° | 93.7° |
| C23 | C24 | C26 | H26A | 112.7° | 142.9° |
| C24 | C23 | C28 | H28 | 107.9° | 93.7° |
| C28 | C23 | C24 | N25 | 133.5° | 118.0° |
| C28 | C23 | C24 | C26 | 13.7° | 0.0° |
| C23 | C28 | S27 | C26 | 7.8° | 34.7° |
| C23 | C28 | S27 | C30 | 124.5° | 118.4° |
| C23 | C28 | S27 | H28 | 119.7° | 118.3° |
| C23 | C28 | C30 | H28 | 119.3° | 123.3° |
| C23 | C28 | C30 | C31 | 119.1° | 175.0° |
| C28 | C23 | N22 | HN22 | 47.2° | 59.8° |
| C28 | C23 | C24 | H24 | 103.6° | 123.8° |
| C23 | C28 | C30 | H30 | 120.8° | 65.1° |
| C23 | C28 | C30 | H30A | 0.9° | 54.9° |
| N25 | C24 | C26 | H24 | 123.2° | 121.5° |
| N25 | C24 | C26 | S27 | 122.1° | 90.2° |
| N25 | C24 | C23 | H23 | 111.4° | 118.2° |
| N25 | C24 | C26 | H26 | 117.9° | 151.4° |
| N25 | C24 | C26 | H26A | 2.2° | 28.1° |
| C24 | C26 | S27 | H26 | 120.0° | 118.4° |
| C24 | C26 | S27 | H26A | 120.0° | 118.3° |
| C24 | C26 | S27 | C28 | 0.5° | 34.7° |
| C26 | C24 | C23 | H23 | 128.9° | 123.8° |
| C26 | C24 | N25 | HN25 | 66.3° | 59.9° |
| C24 | C26 | H26 | H26A | 122.1° | 123.3° |
| C26 | S27 | C28 | C30 | 132.3° | 153.1° |
| S27 | C26 | C24 | H24 | 114.6° | 148.3° |
| S27 | C26 | H26 | H26A | 122.1° | 123.3° |
| C26 | S27 | C28 | H28 | 111.9° | 83.6° |
| S27 | C28 | C30 | H28 | 120.8° | 123.3° |
| S27 | C28 | C30 | C31 | 121.0° | 71.7° |
| S27 | C28 | C23 | H23 | 134.5° | 148.3° |
| C28 | S27 | C26 | H26 | 119.5° | 83.6° |
| C28 | S27 | C26 | H26A | 120.5° | 153.0° |
| S27 | C28 | C30 | H30 | 1.0° | 48.3° |
| S27 | C28 | C30 | H30A | 119.0° | 168.3° |
| C28 | C30 | C31 | H30 | 120.0° | 119.9° |
| C28 | C30 | C31 | H30A | 120.0° | 120.1° |
| C28 | C30 | C31 | C32 | 100.0° | 180.0° |
| C30 | C28 | C23 | H23 | 102.2° | 93.3° |
| C28 | C30 | H30 | H30A | 119.4° | 120.0° |
| C28 | C30 | C31 | H31 | 140.0° | 60.0° |
| C28 | C30 | C31 | H31A | 20.0° | 59.9° |
| C30 | C31 | C32 | H31 | 120.0° | 120.0° |
| C30 | C31 | C32 | H31A | 120.0° | 120.1° |
| C30 | C31 | C32 | C33 | 168.3° | 180.0° |
| C31 | C30 | C28 | H28 | 0.2° | 51.7° |
| C31 | C30 | H30 | H30A | 119.4° | 120.0° |
| C30 | C31 | H31 | H31A | 119.5° | 120.1° |
| C30 | C31 | C32 | H32 | 48.4° | 60.0° |
| C30 | C31 | C32 | H32A | 71.7° | 60.0° |
| C31 | C32 | C33 | H32 | 120.0° | 120.0° |
| C31 | C32 | C33 | H32A | 120.0° | 120.0° |
| C31 | C32 | C33 | C34 | 110.9° | 180.0° |
| C32 | C31 | C30 | H30 | 20.0° | 60.0° |
| C32 | C31 | C30 | H30A | 139.9° | 59.9° |
| C32 | C31 | H31 | H31A | 119.4° | 119.9° |
| C31 | C32 | H32 | H32A | 119.2° | 120.0° |
| C31 | C32 | C33 | H33 | 9.1° | 60.0° |
| C31 | C32 | C33 | H33A | 129.1° | 60.0° |
| C32 | C33 | C34 | H33 | 120.0° | 120.0° |
| C32 | C33 | C34 | H33A | 120.0° | 119.9° |
| C32 | C33 | C34 | O35 | 84.8° | 0.0° |
| C32 | C33 | C34 | N36 | 95.2° | 180.0° |
| C33 | C32 | C31 | H31 | 71.7° | 59.9° |
| C33 | C32 | C31 | H31A | 48.3° | 60.0° |
| C33 | C32 | H32 | H32A | 119.2° | 120.0° |
| C32 | C33 | H33 | H33A | 119.5° | 120.0° |
| C33 | C34 | O35 | N36 | 179.9° | 180.0° |
| C34 | C33 | C32 | H32 | 129.1° | 60.0° |
| C34 | C33 | C32 | H32A | 9.1° | 60.0° |
| C34 | C33 | H33 | H33A | 119.5° | 120.0° |
| C33 | C34 | N36 | HN36 | 111.8° | 0.0° |
| O35 | C34 | C33 | H33 | 155.2° | 120.0° |
| O35 | C34 | C33 | H33A | 35.2° | 120.0° |
| O35 | C34 | N36 | HN36 | 68.1° | 180.0° |
| C34 | N36 | C19 | H19 | 0.1° | 60.1° |
| C34 | N36 | C19 | H19A | 119.9° | 59.9° |
| N36 | C34 | C33 | H33 | 24.9° | 60.0° |
| N36 | C34 | C33 | H33A | 144.9° | 60.1° |
| H2 | C2 | C3 | H3 | 59.6° | 60.0° |
| H2A | C2 | C3 | H3 | 60.4° | 60.0° |
| H3 | C3 | C4 | H4 | 59.5° | 60.0° |
| H3 | C3 | C4 | H4A | 60.5° | 60.0° |
| H3 | C3 | C8 | H8 | 59.4° | 60.0° |
| H3 | C3 | C8 | H8A | 60.6° | 60.0° |
| H4 | C4 | C5 | H5 | 58.3° | 60.1° |
| H4A | C4 | C5 | H5 | 61.7° | 59.9° |
| H5 | C5 | C6 | H6 | 60.1° | 60.0° |
| H5 | C5 | C6 | H6A | 59.9° | 60.1° |
| H5 | C5 | C9 | H9 | 56.9° | 60.0° |
| H5 | C5 | C9 | H9A | 63.1° | 60.0° |
| H7 | C7 | C10 | H10 | 61.0° | 60.0° |
| H7A | C7 | C10 | H10 | 59.0° | 60.0° |
| H8 | C8 | C10 | H10 | 60.0° | 59.9° |
| H8A | C8 | C10 | H10 | 59.9° | 60.0° |
| H9 | C9 | C10 | H10 | 57.0° | 60.0° |
| H9A | C9 | C10 | H10 | 63.0° | 60.0° |
| HN12 | N12 | C14 | H14 | 32.8° | 120.0° |
| HN12 | N12 | C14 | H14A | 152.8° | 120.0° |
| H14 | C14 | C15 | H15 | 70.5° | 180.0° |
| H14 | C14 | C15 | H15A | 169.5° | 60.0° |
| H14A | C14 | C15 | H15 | 49.5° | 60.0° |
| H14A | C14 | C15 | H15A | 70.5° | 180.0° |
| H15 | C15 | C16 | H16 | 172.3° | 180.0° |
| H15 | C15 | C16 | H16A | 67.7° | 59.9° |
| H15A | C15 | C16 | H16 | 52.3° | 60.0° |
| H15A | C15 | C16 | H16A | 172.3° | 180.0° |
| H16 | C16 | C17 | H17 | 165.8° | 180.0° |
| H16 | C16 | C17 | H17A | 45.9° | 60.0° |
| H16A | C16 | C17 | H17 | 74.2° | 60.0° |
| H16A | C16 | C17 | H17A | 165.8° | 180.0° |
| H17 | C17 | C18 | H18 | 157.3° | 180.0° |
| H17 | C17 | C18 | H18A | 37.3° | 60.0° |
| H17A | C17 | C18 | H18 | 82.7° | 59.9° |
| H17A | C17 | C18 | H18A | 157.2° | 180.0° |
| H18 | C18 | C19 | H19 | 71.0° | 180.0° |
| H18 | C18 | C19 | H19A | 49.0° | 60.0° |
| H18A | C18 | C19 | H19 | 169.0° | 60.0° |
| H18A | C18 | C19 | H19A | 71.0° | 180.0° |
| H19 | C19 | N36 | HN36 | 179.9° | 120.0° |
| H19A | C19 | N36 | HN36 | 60.1° | 120.0° |
| HN22 | N22 | C23 | H23 | 67.8° | 61.8° |
| H23 | C23 | C24 | H24 | 11.6° | 0.0° |
| H23 | C23 | C28 | H28 | 13.4° | 30.0° |
| H24 | C24 | N25 | HN25 | 51.0° | 61.8° |
| H24 | C24 | C26 | H26 | 5.3° | 29.9° |
| H24 | C24 | C26 | H26A | 125.4° | 93.4° |
| H28 | C28 | C30 | H30 | 119.8° | 171.6° |
| H28 | C28 | C30 | H30A | 120.2° | 68.4° |
| H30 | C30 | C31 | H31 | 100.0° | 179.9° |
| H30 | C30 | C31 | H31A | 140.0° | 60.0° |
| H30A | C30 | C31 | H31 | 20.0° | 60.1° |
| H30A | C30 | C31 | H31A | 100.1° | 180.0° |
| H31 | C31 | C32 | H32 | 168.4° | 180.0° |
| H31 | C31 | C32 | H32A | 48.3° | 60.1° |
| H31A | C31 | C32 | H32 | 71.7° | 60.1° |
| H31A | C31 | C32 | H32A | 168.3° | 180.0° |
| H32 | C32 | C33 | H33 | 110.9° | 180.0° |
| H32 | C32 | C33 | H33A | 9.1° | 60.0° |
| H32A | C32 | C33 | H33 | 129.1° | 60.0° |
| H32A | C32 | C33 | H33A | 110.9° | 180.0° |
