XCK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S27 | C28 | sing | 1.76Å | 1.88Å | |
| S27 | C24 | sing | 1.81Å | 1.93Å | |
| O18 | C14 | doub | 1.21Å | 1.20Å | |
| C28 | C33 | doub | 1.39Å | 1.41Å | Aromatic |
| C28 | C29 | sing | 1.39Å | 1.41Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.42Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.42Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.41Å | Aromatic |
| C14 | N15 | sing | 1.34Å | 1.38Å | |
| C14 | C13 | sing | 1.51Å | 1.59Å | |
| C25 | C24 | sing | 1.53Å | 1.57Å | |
| N15 | C16 | sing | 1.47Å | 1.48Å | |
| C24 | C23 | sing | 1.53Å | 1.61Å | |
| C24 | C26 | sing | 1.53Å | 1.52Å | |
| C23 | O22 | sing | 1.45Å | 1.45Å | |
| O01 | C02 | doub | 1.22Å | 1.22Å | |
| C13 | C12 | sing | 1.53Å | 1.57Å | |
| C13 | C17 | sing | 1.55Å | 1.52Å | |
| O22 | C02 | sing | 1.35Å | 1.41Å | |
| C02 | N03 | sing | 1.35Å | 1.42Å | |
| C16 | C17 | sing | 1.54Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C07 | C06 | sing | 1.53Å | 1.57Å | |
| N03 | C04 | sing | 1.47Å | 1.51Å | |
| C04 | C09 | sing | 1.51Å | 1.55Å | |
| C04 | C05 | sing | 1.53Å | 1.55Å | |
| N10 | C11 | sing | 1.47Å | 1.49Å | |
| N10 | C09 | sing | 1.35Å | 1.47Å | |
| C11 | C19 | sing | 1.51Å | 1.57Å | |
| C09 | O21 | doub | 1.21Å | 1.21Å | |
| C06 | C05 | sing | 1.53Å | 1.58Å | |
| C06 | C08 | sing | 1.53Å | 1.57Å | |
| C19 | N20 | doub | 1.28Å | 1.28Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C05 | H2 | sing | 1.09Å | 1.10Å | |
| C05 | H3 | sing | 1.09Å | 1.10Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H32 | sing | 1.08Å | 1.08Å | |
| N03 | H33 | sing | 0.97Å | 1.00Å | |
| N10 | H34 | sing | 0.97Å | 1.00Å | |
| N15 | H35 | sing | 0.97Å | 1.00Å | |
| N20 | H36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C28 | S27 | C24 | 113.5° | 103.0° |
| S27 | C28 | C33 | 119.7° | 120.1° |
| S27 | C28 | C29 | 121.4° | 120.1° |
| S27 | C24 | C25 | 108.3° | 109.5° |
| S27 | C24 | C23 | 113.6° | 109.5° |
| S27 | C24 | C26 | 107.9° | 109.5° |
| O18 | C14 | N15 | 126.7° | 124.9° |
| O18 | C14 | C13 | 119.3° | 124.9° |
| C33 | C28 | C29 | 119.0° | 119.8° |
| C28 | C33 | C32 | 120.0° | 119.9° |
| C28 | C33 | H32 | 120.0° | 120.0° |
| C28 | C29 | C30 | 121.0° | 119.9° |
| C28 | C29 | H28 | 119.5° | 120.0° |
| C33 | C32 | C31 | 120.9° | 120.1° |
| C33 | C32 | H31 | 119.5° | 119.9° |
| C32 | C33 | H32 | 120.0° | 120.1° |
| C29 | C30 | C31 | 120.0° | 120.1° |
| C30 | C29 | H28 | 119.5° | 120.0° |
| C29 | C30 | H29 | 120.0° | 120.0° |
| C32 | C31 | C30 | 119.2° | 120.1° |
| C32 | C31 | H30 | 120.4° | 119.9° |
| C31 | C32 | H31 | 119.6° | 120.0° |
| C31 | C30 | H29 | 120.0° | 119.9° |
| C30 | C31 | H30 | 120.4° | 120.0° |
| N15 | C14 | C13 | 114.0° | 110.2° |
| C14 | N15 | C16 | 106.2° | 111.3° |
| C14 | N15 | H35 | 126.9° | 124.4° |
| C14 | C13 | C12 | 113.6° | 110.5° |
| C14 | C13 | C17 | 99.1° | 104.2° |
| C14 | C13 | H14 | 111.8° | 110.6° |
| C25 | C24 | C23 | 108.4° | 109.5° |
| C25 | C24 | C26 | 111.6° | 109.5° |
| C24 | C25 | H22 | 109.5° | 109.5° |
| C24 | C25 | H23 | 109.5° | 109.5° |
| C24 | C25 | H24 | 109.4° | 109.5° |
| N15 | C16 | C17 | 108.0° | 105.5° |
| N15 | C16 | H15 | 109.8° | 110.3° |
| N15 | C16 | H16 | 109.8° | 110.4° |
| C16 | N15 | H35 | 126.9° | 124.3° |
| C23 | C24 | C26 | 107.1° | 109.4° |
| C24 | C23 | O22 | 113.1° | 109.5° |
| C24 | C23 | H20 | 108.6° | 109.5° |
| C24 | C23 | H21 | 108.5° | 109.5° |
| C24 | C26 | H25 | 109.5° | 109.5° |
| C24 | C26 | H26 | 109.5° | 109.4° |
| C24 | C26 | H27 | 109.4° | 109.5° |
| C23 | O22 | C02 | 125.8° | 117.0° |
| O22 | C23 | H20 | 108.6° | 109.4° |
| O22 | C23 | H21 | 108.6° | 109.5° |
| O01 | C02 | O22 | 118.3° | 120.0° |
| O01 | C02 | N03 | 119.4° | 120.0° |
| C12 | C13 | C17 | 106.9° | 110.5° |
| C13 | C12 | C11 | 114.2° | 109.5° |
| C13 | C12 | H12 | 108.3° | 109.4° |
| C13 | C12 | H13 | 108.3° | 109.5° |
| C12 | C13 | H14 | 112.0° | 110.5° |
| C13 | C17 | C16 | 107.2° | 101.8° |
| C17 | C13 | H14 | 112.8° | 110.5° |
| C13 | C17 | H17 | 110.1° | 111.0° |
| C13 | C17 | H18 | 110.0° | 111.0° |
| O22 | C02 | N03 | 122.2° | 120.0° |
| C02 | N03 | C04 | 122.3° | 120.0° |
| C02 | N03 | H33 | 118.9° | 120.0° |
| C17 | C16 | H15 | 109.8° | 110.2° |
| C17 | C16 | H16 | 109.8° | 110.2° |
| C16 | C17 | H17 | 110.0° | 111.0° |
| C16 | C17 | H18 | 110.0° | 111.0° |
| C12 | C11 | N10 | 111.1° | 109.5° |
| C12 | C11 | C19 | 106.8° | 109.5° |
| C12 | C11 | H11 | 110.5° | 109.5° |
| C11 | C12 | H12 | 108.3° | 109.5° |
| C11 | C12 | H13 | 108.3° | 109.5° |
| C07 | C06 | C05 | 110.8° | 109.4° |
| C07 | C06 | C08 | 113.3° | 109.4° |
| C07 | C06 | H4 | 107.0° | 109.5° |
| C06 | C07 | H5 | 109.5° | 109.5° |
| C06 | C07 | H6 | 109.5° | 109.5° |
| C06 | C07 | H7 | 109.5° | 109.5° |
| N03 | C04 | C09 | 109.8° | 109.5° |
| N03 | C04 | C05 | 111.1° | 109.5° |
| N03 | C04 | H1 | 108.8° | 109.5° |
| C04 | N03 | H33 | 118.8° | 120.0° |
| C09 | C04 | C05 | 110.6° | 109.4° |
| C04 | C09 | N10 | 117.4° | 120.0° |
| C04 | C09 | O21 | 121.5° | 120.0° |
| C09 | C04 | H1 | 108.2° | 109.5° |
| C04 | C05 | C06 | 112.4° | 109.4° |
| C05 | C04 | H1 | 108.2° | 109.5° |
| C04 | C05 | H2 | 108.7° | 109.5° |
| C04 | C05 | H3 | 108.7° | 109.5° |
| C11 | N10 | C09 | 121.7° | 120.0° |
| N10 | C11 | C19 | 107.2° | 109.5° |
| N10 | C11 | H11 | 111.1° | 109.5° |
| C11 | N10 | H34 | 119.1° | 120.0° |
| N10 | C09 | O21 | 120.8° | 120.0° |
| C09 | N10 | H34 | 119.1° | 120.0° |
| C11 | C19 | N20 | 120.7° | 120.0° |
| C19 | C11 | H11 | 110.0° | 109.5° |
| C11 | C19 | H19 | 119.7° | 120.0° |
| C05 | C06 | C08 | 111.5° | 109.5° |
| C06 | C05 | H2 | 108.7° | 109.5° |
| C06 | C05 | H3 | 108.7° | 109.5° |
| C05 | C06 | H4 | 106.8° | 109.4° |
| C08 | C06 | H4 | 107.0° | 109.5° |
| C06 | C08 | H8 | 109.5° | 109.4° |
| C06 | C08 | H9 | 109.5° | 109.5° |
| C06 | C08 | H10 | 109.5° | 109.5° |
| N20 | C19 | H19 | 119.6° | 120.0° |
| C19 | N20 | H36 | 112.0° | 120.0° |
| H2 | C05 | H3 | 109.5° | 109.5° |
| H5 | C07 | H6 | 109.4° | 109.5° |
| H5 | C07 | H7 | 109.4° | 109.4° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.4° | 109.5° |
| H8 | C08 | H10 | 109.5° | 109.4° |
| H9 | C08 | H10 | 109.5° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 110.2° |
| H17 | C17 | H18 | 109.5° | 110.9° |
| H20 | C23 | H21 | 109.5° | 109.5° |
| H22 | C25 | H23 | 109.4° | 109.4° |
| H22 | C25 | H24 | 109.5° | 109.5° |
| H23 | C25 | H24 | 109.5° | 109.5° |
| H25 | C26 | H26 | 109.5° | 109.4° |
| H25 | C26 | H27 | 109.5° | 109.5° |
| H26 | C26 | H27 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S27 | C28 | C33 | C29 | 179.6° | 179.8° |
| S27 | C28 | C33 | C32 | 179.8° | 179.7° |
| S27 | C28 | C29 | C30 | 179.8° | 179.7° |
| C28 | S27 | C24 | C25 | 84.1° | 58.0° |
| C28 | S27 | C24 | C23 | 155.4° | 178.0° |
| C28 | S27 | C24 | C26 | 36.8° | 62.1° |
| S27 | C28 | C29 | H28 | 0.2° | 0.3° |
| S27 | C28 | C33 | H32 | 0.2° | 0.2° |
| C24 | S27 | C28 | C33 | 69.2° | 175.4° |
| C24 | S27 | C28 | C29 | 110.4° | 4.8° |
| S27 | C24 | C25 | C23 | 123.7° | 120.0° |
| S27 | C24 | C25 | C26 | 118.6° | 120.0° |
| S27 | C24 | C23 | C26 | 119.0° | 120.0° |
| S27 | C24 | C23 | O22 | 168.5° | 180.0° |
| S27 | C24 | C23 | H20 | 71.0° | 60.0° |
| S27 | C24 | C23 | H21 | 47.9° | 60.0° |
| S27 | C24 | C25 | H22 | 180.0° | 168.1° |
| S27 | C24 | C25 | H23 | 60.0° | 48.2° |
| S27 | C24 | C25 | H24 | 60.0° | 71.8° |
| S27 | C24 | C26 | H25 | 180.0° | 75.6° |
| S27 | C24 | C26 | H26 | 60.0° | 44.3° |
| S27 | C24 | C26 | H27 | 60.0° | 164.3° |
| O18 | C14 | N15 | C13 | 178.9° | 179.9° |
| O18 | C14 | N15 | C16 | 179.4° | 179.6° |
| O18 | C14 | C13 | C12 | 53.6° | 45.1° |
| O18 | C14 | C13 | C17 | 166.6° | 163.7° |
| O18 | C14 | C13 | H14 | 74.3° | 77.6° |
| O18 | C14 | N15 | H35 | 0.6° | 0.3° |
| C28 | C33 | C32 | H32 | 180.0° | 179.9° |
| C33 | C28 | C29 | C30 | 0.2° | 0.0° |
| C28 | C33 | C32 | C31 | 0.1° | 0.1° |
| C33 | C28 | C29 | H28 | 179.8° | 179.9° |
| C28 | C33 | C32 | H31 | 179.9° | 180.0° |
| C29 | C28 | C33 | C32 | 0.2° | 0.1° |
| C28 | C29 | C30 | H28 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.2° | 0.0° |
| C28 | C29 | C30 | H29 | 179.9° | 180.0° |
| C29 | C28 | C33 | H32 | 179.8° | 180.0° |
| C33 | C32 | C31 | H31 | 180.0° | 179.9° |
| C33 | C32 | C31 | C30 | 0.0° | 0.0° |
| C33 | C32 | C31 | H30 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.0° | 0.0° |
| C29 | C30 | C31 | H29 | 180.0° | 180.0° |
| C29 | C30 | C31 | H30 | 179.9° | 179.9° |
| C32 | C31 | C30 | H30 | 180.0° | 180.0° |
| C32 | C31 | C30 | H29 | 180.0° | 180.0° |
| C31 | C32 | C33 | H32 | 179.9° | 179.9° |
| C31 | C30 | C29 | H28 | 179.9° | 180.0° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C14 | N15 | C16 | H35 | 180.0° | 179.9° |
| N15 | C14 | C13 | C12 | 125.4° | 134.9° |
| N15 | C14 | C13 | C17 | 12.4° | 16.2° |
| C14 | N15 | C16 | C17 | 15.7° | 17.1° |
| N15 | C14 | C13 | H14 | 106.8° | 102.5° |
| C14 | N15 | C16 | H15 | 104.1° | 136.1° |
| C14 | N15 | C16 | H16 | 135.4° | 102.0° |
| C13 | C14 | N15 | C16 | 1.7° | 0.5° |
| C14 | C13 | C12 | C17 | 108.2° | 114.8° |
| C14 | C13 | C12 | H14 | 127.8° | 122.7° |
| C14 | C13 | C17 | H14 | 118.3° | 118.8° |
| C14 | C13 | C17 | C16 | 20.9° | 24.8° |
| C14 | C13 | C12 | C11 | 177.7° | 178.1° |
| C14 | C13 | C12 | H12 | 57.0° | 61.9° |
| C14 | C13 | C12 | H13 | 61.6° | 58.1° |
| C14 | C13 | C17 | H17 | 98.8° | 93.3° |
| C14 | C13 | C17 | H18 | 140.5° | 142.9° |
| C13 | C14 | N15 | H35 | 178.3° | 179.6° |
| C25 | C24 | C23 | C26 | 120.6° | 120.0° |
| C25 | C24 | C23 | O22 | 48.0° | 60.0° |
| C25 | C24 | C23 | H20 | 168.6° | 60.0° |
| C25 | C24 | C23 | H21 | 72.5° | 180.0° |
| C24 | C25 | H22 | H23 | 120.0° | 120.0° |
| C24 | C25 | H22 | H24 | 120.0° | 120.1° |
| C24 | C25 | H23 | H24 | 120.0° | 120.0° |
| C25 | C24 | C26 | H25 | 61.2° | 164.3° |
| C25 | C24 | C26 | H26 | 58.8° | 75.7° |
| C25 | C24 | C26 | H27 | 178.8° | 44.2° |
| N15 | C16 | C17 | C13 | 24.1° | 25.4° |
| N15 | C16 | C17 | H15 | 119.8° | 119.0° |
| N15 | C16 | C17 | H16 | 119.8° | 119.1° |
| N15 | C16 | H15 | H16 | 120.7° | 122.1° |
| N15 | C16 | C17 | H17 | 95.5° | 92.7° |
| N15 | C16 | C17 | H18 | 143.8° | 143.5° |
| C24 | C23 | O22 | H20 | 120.5° | 120.0° |
| C24 | C23 | O22 | H21 | 120.5° | 120.0° |
| C24 | C23 | O22 | C02 | 162.5° | 180.0° |
| C24 | C23 | H20 | H21 | 118.3° | 120.0° |
| C23 | C24 | C25 | H22 | 56.3° | 71.9° |
| C23 | C24 | C25 | H23 | 63.7° | 168.2° |
| C23 | C24 | C25 | H24 | 176.3° | 48.2° |
| C23 | C24 | C26 | H25 | 57.3° | 44.3° |
| C23 | C24 | C26 | H26 | 177.3° | 164.3° |
| C23 | C24 | C26 | H27 | 62.7° | 75.8° |
| C26 | C24 | C23 | O22 | 72.5° | 60.0° |
| C26 | C24 | C23 | H20 | 48.0° | 180.0° |
| C26 | C24 | C23 | H21 | 167.0° | 60.0° |
| C26 | C24 | C25 | H22 | 61.4° | 48.1° |
| C26 | C24 | C25 | H23 | 178.6° | 71.8° |
| C26 | C24 | C25 | H24 | 58.6° | 168.2° |
| C24 | C26 | H25 | H26 | 120.0° | 119.9° |
| C24 | C26 | H25 | H27 | 120.0° | 120.1° |
| C24 | C26 | H26 | H27 | 120.0° | 120.0° |
| C23 | O22 | C02 | O01 | 0.6° | 0.3° |
| C23 | O22 | C02 | N03 | 178.7° | 180.0° |
| O22 | C23 | H20 | H21 | 118.4° | 120.0° |
| O01 | C02 | O22 | N03 | 179.3° | 179.7° |
| O01 | C02 | N03 | C04 | 18.0° | 0.0° |
| O01 | C02 | N03 | H33 | 162.0° | 179.9° |
| C12 | C13 | C17 | H14 | 123.5° | 122.5° |
| C12 | C13 | C17 | C16 | 139.0° | 143.4° |
| C13 | C12 | C11 | H12 | 120.7° | 120.0° |
| C13 | C12 | C11 | H13 | 120.7° | 120.0° |
| C13 | C12 | C11 | N10 | 62.7° | 62.6° |
| C13 | C12 | C11 | C19 | 179.3° | 177.5° |
| C13 | C12 | C11 | H11 | 61.1° | 57.4° |
| C13 | C12 | H12 | H13 | 117.9° | 120.0° |
| C12 | C13 | C17 | H17 | 19.4° | 25.4° |
| C12 | C13 | C17 | H18 | 101.4° | 98.4° |
| C13 | C17 | C16 | H17 | 119.7° | 118.1° |
| C13 | C17 | C16 | H18 | 119.6° | 118.1° |
| C17 | C13 | C12 | C11 | 69.5° | 63.3° |
| C17 | C13 | C12 | H12 | 51.2° | 176.7° |
| C17 | C13 | C12 | H13 | 169.8° | 56.7° |
| C13 | C17 | C16 | H15 | 95.6° | 144.4° |
| C13 | C17 | C16 | H16 | 143.9° | 93.7° |
| C13 | C17 | H17 | H18 | 121.1° | 123.8° |
| O22 | C02 | N03 | C04 | 161.3° | 179.7° |
| C02 | O22 | C23 | H20 | 76.9° | 60.0° |
| C02 | O22 | C23 | H21 | 42.0° | 60.0° |
| O22 | C02 | N03 | H33 | 18.7° | 0.4° |
| C02 | N03 | C04 | H33 | 180.0° | 179.9° |
| C02 | N03 | C04 | C09 | 58.2° | 155.0° |
| C02 | N03 | C04 | C05 | 179.1° | 85.0° |
| C02 | N03 | C04 | H1 | 60.1° | 35.0° |
| C16 | C17 | C13 | H14 | 97.5° | 94.0° |
| C17 | C16 | H15 | H16 | 120.7° | 121.9° |
| C16 | C17 | H17 | H18 | 121.0° | 123.9° |
| C17 | C16 | N15 | H35 | 164.3° | 163.0° |
| C12 | C11 | N10 | C19 | 116.3° | 120.0° |
| C12 | C11 | N10 | H11 | 123.5° | 120.0° |
| C12 | C11 | N10 | C09 | 113.7° | 153.9° |
| C12 | C11 | C19 | H11 | 120.0° | 120.0° |
| C12 | C11 | C19 | N20 | 94.0° | 120.0° |
| C11 | C12 | H12 | H13 | 117.8° | 120.0° |
| C11 | C12 | C13 | H14 | 54.6° | 59.2° |
| C12 | C11 | C19 | H19 | 86.0° | 60.0° |
| C12 | C11 | N10 | H34 | 66.3° | 26.1° |
| C07 | C06 | C05 | C04 | 60.5° | 175.0° |
| C07 | C06 | C05 | C08 | 127.2° | 120.0° |
| C07 | C06 | C05 | H4 | 116.3° | 120.0° |
| C07 | C06 | C08 | H4 | 117.7° | 120.1° |
| C07 | C06 | C05 | H2 | 179.1° | 55.0° |
| C07 | C06 | C05 | H3 | 60.0° | 65.0° |
| C06 | C07 | H5 | H6 | 120.0° | 120.0° |
| C06 | C07 | H5 | H7 | 120.0° | 120.0° |
| C06 | C07 | H6 | H7 | 120.0° | 120.0° |
| C07 | C06 | C08 | H8 | 180.0° | 180.0° |
| C07 | C06 | C08 | H9 | 60.0° | 60.1° |
| C07 | C06 | C08 | H10 | 60.0° | 60.0° |
| N03 | C04 | C09 | C05 | 123.0° | 120.0° |
| N03 | C04 | C09 | H1 | 118.6° | 120.0° |
| N03 | C04 | C05 | H1 | 119.3° | 120.1° |
| N03 | C04 | C09 | N10 | 139.5° | 180.0° |
| N03 | C04 | C09 | O21 | 34.8° | 0.1° |
| N03 | C04 | C05 | C06 | 52.9° | 65.0° |
| N03 | C04 | C05 | H2 | 67.5° | 55.0° |
| N03 | C04 | C05 | H3 | 173.4° | 175.0° |
| C09 | C04 | C05 | H1 | 118.4° | 120.0° |
| C04 | C09 | N10 | C11 | 179.2° | 180.0° |
| C04 | C09 | N10 | O21 | 174.3° | 179.9° |
| C09 | C04 | C05 | C06 | 175.2° | 175.0° |
| C09 | C04 | C05 | H2 | 54.7° | 65.0° |
| C09 | C04 | C05 | H3 | 64.4° | 55.0° |
| C09 | C04 | N03 | H33 | 121.8° | 25.0° |
| C04 | C09 | N10 | H34 | 0.8° | 0.0° |
| C05 | C04 | C09 | N10 | 97.5° | 60.0° |
| C05 | C04 | C09 | O21 | 88.2° | 120.0° |
| C04 | C05 | C06 | H2 | 120.5° | 120.0° |
| C04 | C05 | C06 | H3 | 120.5° | 120.0° |
| C04 | C05 | C06 | C08 | 172.3° | 65.0° |
| C04 | C05 | H2 | H3 | 118.7° | 120.0° |
| C04 | C05 | C06 | H4 | 55.8° | 55.0° |
| C05 | C04 | N03 | H33 | 0.9° | 94.9° |
| C11 | N10 | C09 | H34 | 180.0° | 180.0° |
| N10 | C11 | C19 | H11 | 120.9° | 120.0° |
| C11 | N10 | C09 | O21 | 6.4° | 0.0° |
| N10 | C11 | C19 | N20 | 146.8° | 0.0° |
| N10 | C11 | C12 | H12 | 176.6° | 57.4° |
| N10 | C11 | C12 | H13 | 58.0° | 177.4° |
| N10 | C11 | C19 | H19 | 33.2° | 180.0° |
| C09 | N10 | C11 | C19 | 130.0° | 86.1° |
| N10 | C09 | C04 | H1 | 20.9° | 60.0° |
| C09 | N10 | C11 | H11 | 9.8° | 33.9° |
| C11 | C19 | N20 | H19 | 180.0° | 180.0° |
| C19 | C11 | C12 | H12 | 60.0° | 62.6° |
| C19 | C11 | C12 | H13 | 58.6° | 57.5° |
| C19 | C11 | N10 | H34 | 50.0° | 93.9° |
| C11 | C19 | N20 | H36 | 180.0° | 179.9° |
| O21 | C09 | C04 | H1 | 153.4° | 120.0° |
| O21 | C09 | N10 | H34 | 173.6° | 180.0° |
| C05 | C06 | C08 | H4 | 116.4° | 120.0° |
| C06 | C05 | C04 | H1 | 66.4° | 55.0° |
| C06 | C05 | H2 | H3 | 118.6° | 120.0° |
| C05 | C06 | C07 | H5 | 180.0° | 60.0° |
| C05 | C06 | C07 | H6 | 60.0° | 180.0° |
| C05 | C06 | C07 | H7 | 60.0° | 60.0° |
| C05 | C06 | C08 | H8 | 54.2° | 60.0° |
| C05 | C06 | C08 | H9 | 65.8° | 180.0° |
| C05 | C06 | C08 | H10 | 174.2° | 59.9° |
| C08 | C06 | C05 | H2 | 51.9° | 175.0° |
| C08 | C06 | C05 | H3 | 67.2° | 55.0° |
| C08 | C06 | C07 | H5 | 53.8° | 60.0° |
| C08 | C06 | C07 | H6 | 66.1° | 60.0° |
| C08 | C06 | C07 | H7 | 173.8° | 180.0° |
| C06 | C08 | H8 | H9 | 120.0° | 120.0° |
| C06 | C08 | H8 | H10 | 120.0° | 120.0° |
| C06 | C08 | H9 | H10 | 120.0° | 120.1° |
| N20 | C19 | C11 | H11 | 25.9° | 120.0° |
| H1 | C04 | C05 | H2 | 173.1° | 175.0° |
| H1 | C04 | C05 | H3 | 54.0° | 65.0° |
| H1 | C04 | N03 | H33 | 119.9° | 145.0° |
| H2 | C05 | C06 | H4 | 64.7° | 65.0° |
| H3 | C05 | C06 | H4 | 176.2° | 175.0° |
| H4 | C06 | C07 | H5 | 63.9° | 179.9° |
| H4 | C06 | C07 | H6 | 176.1° | 60.0° |
| H4 | C06 | C07 | H7 | 56.1° | 60.0° |
| H4 | C06 | C08 | H8 | 62.3° | 60.0° |
| H4 | C06 | C08 | H9 | 177.7° | 60.0° |
| H4 | C06 | C08 | H10 | 57.8° | 179.9° |
| H5 | C07 | H6 | H7 | 119.9° | 119.9° |
| H8 | C08 | H9 | H10 | 120.0° | 120.0° |
| H11 | C11 | C12 | H12 | 59.6° | 177.4° |
| H11 | C11 | C12 | H13 | 178.2° | 62.6° |
| H11 | C11 | C19 | H19 | 154.0° | 60.0° |
| H11 | C11 | N10 | H34 | 170.2° | 146.1° |
| H12 | C12 | C13 | H14 | 175.3° | 60.8° |
| H13 | C12 | C13 | H14 | 66.1° | 179.2° |
| H14 | C13 | C17 | H17 | 142.9° | 147.9° |
| H14 | C13 | C17 | H18 | 22.2° | 24.1° |
| H15 | C16 | C17 | H17 | 144.7° | 26.4° |
| H15 | C16 | C17 | H18 | 24.0° | 97.4° |
| H15 | C16 | N15 | H35 | 75.9° | 44.0° |
| H16 | C16 | C17 | H17 | 24.2° | 148.2° |
| H16 | C16 | C17 | H18 | 96.5° | 24.4° |
| H16 | C16 | N15 | H35 | 44.6° | 77.9° |
| H19 | C19 | N20 | H36 | 0.0° | 0.1° |
| H22 | C25 | H23 | H24 | 120.0° | 120.0° |
| H25 | C26 | H26 | H27 | 120.0° | 120.1° |
| H28 | C29 | C30 | H29 | 0.1° | 0.0° |
| H29 | C30 | C31 | H30 | 0.0° | 0.1° |
| H30 | C31 | C32 | H31 | 0.1° | 0.0° |
| H31 | C32 | C33 | H32 | 0.1° | 0.1° |
