UYI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.53Å | 1.54Å | |
| C01 | C02 | sing | 1.53Å | 1.56Å | |
| C02 | N40 | sing | 1.47Å | 1.46Å | |
| C02 | C04 | sing | 1.51Å | 1.56Å | |
| O05 | C04 | doub | 1.21Å | 1.24Å | |
| C04 | N06 | sing | 1.35Å | 1.43Å | |
| C10 | N11 | sing | 1.37Å | 1.41Å | Aromatic |
| C10 | C09 | doub | 1.34Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| N11 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| N06 | C07 | sing | 1.47Å | 1.46Å | |
| C09 | C08 | sing | 1.51Å | 1.52Å | |
| C09 | C17 | sing | 1.46Å | 1.47Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
| C12 | C17 | sing | 1.41Å | 1.43Å | Aromatic |
| C08 | C07 | sing | 1.53Å | 1.61Å | |
| C07 | C18 | sing | 1.51Å | 1.68Å | |
| C31 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | doub | 1.40Å | 1.41Å | Aromatic |
| C27 | C32 | sing | 1.38Å | 1.41Å | Aromatic |
| C27 | C26 | sing | 1.51Å | 1.55Å | |
| O34 | C33 | doub | 1.21Å | 1.24Å | |
| C14 | C15 | doub | 1.39Å | 1.41Å | Aromatic |
| C16 | C15 | sing | 1.37Å | 1.39Å | Aromatic |
| C26 | C24 | sing | 1.53Å | 1.59Å | |
| C25 | C24 | sing | 1.53Å | 1.61Å | |
| C25 | N20 | sing | 1.47Å | 1.49Å | |
| C18 | N20 | sing | 1.35Å | 1.44Å | |
| C18 | O19 | doub | 1.21Å | 1.23Å | |
| C33 | C24 | sing | 1.51Å | 1.57Å | |
| C33 | N35 | sing | 1.35Å | 1.48Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| N20 | C21 | sing | 1.47Å | 1.51Å | |
| C36 | N35 | sing | 1.47Å | 1.47Å | |
| N35 | N37 | sing | 1.37Å | 1.46Å | |
| C39 | N37 | sing | 1.47Å | 1.52Å | |
| N37 | C38 | sing | 1.47Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.54Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.09Å | 1.10Å | |
| C21 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C22 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C26 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C08 | H18 | sing | 1.09Å | 1.10Å | |
| C08 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C29 | H26 | sing | 1.08Å | 1.08Å | |
| C30 | H27 | sing | 1.08Å | 1.08Å | |
| C31 | H28 | sing | 1.08Å | 1.08Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| C36 | H30 | sing | 1.09Å | 1.10Å | |
| C36 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C38 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C38 | H35 | sing | 1.09Å | 1.10Å | |
| C39 | H36 | sing | 1.09Å | 1.10Å | |
| C39 | H37 | sing | 1.09Å | 1.10Å | |
| C39 | H38 | sing | 1.09Å | 1.10Å | |
| N06 | H39 | sing | 0.97Å | 1.00Å | |
| N11 | H40 | sing | 0.97Å | 1.00Å | |
| N40 | H41 | sing | 1.01Å | 1.00Å | |
| N40 | H42 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | C01 | 108.2° | 109.5° |
| C03 | C02 | N40 | 110.4° | 109.5° |
| C03 | C02 | C04 | 109.8° | 109.4° |
| C02 | C03 | H14 | 109.5° | 109.5° |
| C02 | C03 | H15 | 109.5° | 109.5° |
| C02 | C03 | H16 | 109.5° | 109.4° |
| C01 | C02 | N40 | 109.5° | 109.5° |
| C01 | C02 | C04 | 110.9° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.6° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| N40 | C02 | C04 | 107.9° | 109.4° |
| C02 | N40 | H41 | 109.5° | 111.0° |
| C02 | N40 | H42 | 109.5° | 111.0° |
| C02 | C04 | O05 | 115.9° | 120.0° |
| C02 | C04 | N06 | 126.9° | 120.0° |
| O05 | C04 | N06 | 117.2° | 120.0° |
| C04 | N06 | C07 | 121.8° | 120.0° |
| C04 | N06 | H39 | 119.1° | 120.0° |
| N11 | C10 | C09 | 110.5° | 109.9° |
| C10 | N11 | C12 | 109.1° | 109.9° |
| N11 | C10 | H1 | 124.8° | 125.1° |
| C10 | N11 | H40 | 125.5° | 125.1° |
| C10 | C09 | C08 | 125.8° | 126.5° |
| C10 | C09 | C17 | 105.5° | 107.0° |
| C09 | C10 | H1 | 124.7° | 125.0° |
| C30 | C29 | C28 | 120.4° | 120.0° |
| C29 | C30 | C31 | 119.0° | 120.0° |
| C30 | C29 | H26 | 119.8° | 120.0° |
| C29 | C30 | H27 | 120.5° | 120.0° |
| C29 | C28 | C27 | 122.3° | 120.0° |
| C29 | C28 | H10 | 118.8° | 120.0° |
| C28 | C29 | H26 | 119.8° | 120.0° |
| N11 | C12 | C13 | 131.7° | 133.5° |
| N11 | C12 | C17 | 106.5° | 107.2° |
| C12 | N11 | H40 | 125.5° | 125.1° |
| C30 | C31 | C32 | 120.0° | 120.0° |
| C31 | C30 | H27 | 120.5° | 120.0° |
| C30 | C31 | H28 | 120.0° | 119.9° |
| C28 | C27 | C32 | 115.5° | 120.0° |
| C28 | C27 | C26 | 122.3° | 120.0° |
| C27 | C28 | H10 | 118.9° | 120.0° |
| N06 | C07 | C08 | 116.8° | 109.5° |
| N06 | C07 | C18 | 113.1° | 109.4° |
| N06 | C07 | H17 | 104.4° | 109.4° |
| C07 | N06 | H39 | 119.1° | 119.9° |
| C08 | C09 | C17 | 128.7° | 126.5° |
| C09 | C08 | C07 | 115.3° | 109.5° |
| C09 | C08 | H18 | 108.0° | 109.5° |
| C09 | C08 | H19 | 108.0° | 109.5° |
| C09 | C17 | C12 | 108.4° | 106.0° |
| C09 | C17 | C16 | 135.7° | 134.1° |
| C13 | C12 | C17 | 121.8° | 119.3° |
| C12 | C13 | C14 | 119.3° | 119.8° |
| C12 | C13 | H2 | 120.4° | 120.1° |
| C12 | C17 | C16 | 115.9° | 119.9° |
| C08 | C07 | C18 | 114.6° | 109.5° |
| C08 | C07 | H17 | 103.0° | 109.5° |
| C07 | C08 | H18 | 108.0° | 109.5° |
| C07 | C08 | H19 | 108.0° | 109.5° |
| C07 | C18 | N20 | 131.0° | 120.0° |
| C07 | C18 | O19 | 111.2° | 120.0° |
| C18 | C07 | H17 | 102.5° | 109.5° |
| C31 | C32 | C27 | 122.7° | 120.0° |
| C32 | C31 | H28 | 120.0° | 120.0° |
| C31 | C32 | H29 | 118.6° | 120.0° |
| C13 | C14 | C15 | 120.2° | 120.6° |
| C14 | C13 | H2 | 120.3° | 120.1° |
| C13 | C14 | H20 | 119.9° | 119.6° |
| C17 | C16 | C15 | 122.8° | 119.8° |
| C17 | C16 | H21 | 118.6° | 120.1° |
| C32 | C27 | C26 | 122.2° | 120.0° |
| C27 | C32 | H29 | 118.6° | 120.0° |
| C27 | C26 | C24 | 117.6° | 109.5° |
| C27 | C26 | H8 | 107.4° | 109.4° |
| C27 | C26 | H9 | 107.4° | 109.5° |
| O34 | C33 | C24 | 117.7° | 120.0° |
| O34 | C33 | N35 | 116.5° | 120.0° |
| C14 | C15 | C16 | 120.0° | 120.6° |
| C14 | C15 | H3 | 120.0° | 119.7° |
| C15 | C14 | H20 | 119.9° | 119.7° |
| C16 | C15 | H3 | 120.0° | 119.8° |
| C15 | C16 | H21 | 118.6° | 120.1° |
| C26 | C24 | C25 | 110.1° | 109.5° |
| C26 | C24 | C33 | 110.6° | 109.5° |
| C26 | C24 | C23 | 107.9° | 109.5° |
| C24 | C26 | H8 | 107.4° | 109.5° |
| C24 | C26 | H9 | 107.4° | 109.5° |
| C24 | C25 | N20 | 118.2° | 108.8° |
| C25 | C24 | C33 | 111.6° | 109.5° |
| C25 | C24 | C23 | 108.4° | 109.3° |
| C24 | C25 | H24 | 107.2° | 109.5° |
| C24 | C25 | H25 | 107.2° | 109.6° |
| C25 | N20 | C18 | 124.6° | 120.6° |
| C25 | N20 | C21 | 110.9° | 118.8° |
| N20 | C25 | H24 | 107.3° | 109.6° |
| N20 | C25 | H25 | 107.2° | 109.6° |
| N20 | C18 | O19 | 117.8° | 120.0° |
| C18 | N20 | C21 | 124.4° | 120.6° |
| C24 | C33 | N35 | 125.8° | 120.0° |
| C33 | C24 | C23 | 108.1° | 109.5° |
| C33 | N35 | C36 | 119.4° | 120.0° |
| C33 | N35 | N37 | 122.3° | 120.0° |
| C24 | C23 | C22 | 112.7° | 109.5° |
| C24 | C23 | H22 | 108.7° | 109.5° |
| C24 | C23 | H23 | 108.7° | 109.4° |
| N20 | C21 | C22 | 115.2° | 108.8° |
| N20 | C21 | H4 | 108.0° | 109.6° |
| N20 | C21 | H5 | 108.0° | 109.7° |
| C36 | N35 | N37 | 118.4° | 120.0° |
| N35 | C36 | H30 | 109.5° | 109.5° |
| N35 | C36 | H31 | 109.5° | 109.5° |
| N35 | C36 | H32 | 109.4° | 109.4° |
| N35 | N37 | C39 | 110.4° | 110.9° |
| N35 | N37 | C38 | 114.3° | 111.0° |
| C39 | N37 | C38 | 106.0° | 111.0° |
| N37 | C39 | H36 | 109.5° | 109.5° |
| N37 | C39 | H37 | 109.5° | 109.4° |
| N37 | C39 | H38 | 109.5° | 109.5° |
| N37 | C38 | H33 | 109.5° | 109.5° |
| N37 | C38 | H34 | 109.5° | 109.5° |
| N37 | C38 | H35 | 109.5° | 109.5° |
| C23 | C22 | C21 | 112.3° | 109.3° |
| C23 | C22 | H6 | 108.8° | 109.5° |
| C23 | C22 | H7 | 108.7° | 109.5° |
| C22 | C23 | H22 | 108.7° | 109.4° |
| C22 | C23 | H23 | 108.7° | 109.5° |
| C22 | C21 | H4 | 108.0° | 109.6° |
| C22 | C21 | H5 | 108.0° | 109.5° |
| C21 | C22 | H6 | 108.8° | 109.5° |
| C21 | C22 | H7 | 108.8° | 109.5° |
| H4 | C21 | H5 | 109.4° | 109.6° |
| H6 | C22 | H7 | 109.5° | 109.5° |
| H8 | C26 | H9 | 109.4° | 109.5° |
| H11 | C01 | H12 | 109.5° | 109.5° |
| H11 | C01 | H13 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.4° | 109.4° |
| H14 | C03 | H15 | 109.4° | 109.5° |
| H14 | C03 | H16 | 109.4° | 109.4° |
| H15 | C03 | H16 | 109.5° | 109.4° |
| H18 | C08 | H19 | 109.5° | 109.4° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.7° |
| H30 | C36 | H31 | 109.5° | 109.5° |
| H30 | C36 | H32 | 109.4° | 109.5° |
| H31 | C36 | H32 | 109.5° | 109.5° |
| H33 | C38 | H34 | 109.5° | 109.5° |
| H33 | C38 | H35 | 109.5° | 109.5° |
| H34 | C38 | H35 | 109.4° | 109.4° |
| H36 | C39 | H37 | 109.5° | 109.5° |
| H36 | C39 | H38 | 109.4° | 109.5° |
| H37 | C39 | H38 | 109.5° | 109.4° |
| H41 | N40 | H42 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | C01 | N40 | 120.4° | 120.1° |
| C03 | C02 | C01 | C04 | 120.5° | 120.0° |
| C03 | C02 | N40 | C04 | 120.0° | 120.0° |
| C03 | C02 | C04 | O05 | 11.2° | 25.0° |
| C03 | C02 | C04 | N06 | 168.8° | 155.0° |
| C03 | C02 | C01 | H11 | 180.0° | 180.0° |
| C03 | C02 | C01 | H12 | 60.0° | 59.9° |
| C03 | C02 | C01 | H13 | 60.0° | 60.0° |
| C02 | C03 | H14 | H15 | 120.0° | 120.1° |
| C02 | C03 | H14 | H16 | 120.0° | 120.0° |
| C02 | C03 | H15 | H16 | 120.0° | 119.9° |
| C03 | C02 | N40 | H41 | 180.0° | 64.0° |
| C03 | C02 | N40 | H42 | 60.0° | 60.0° |
| C01 | C02 | N40 | C04 | 120.9° | 119.9° |
| C01 | C02 | C04 | O05 | 108.4° | 95.0° |
| C01 | C02 | C04 | N06 | 71.6° | 84.9° |
| C02 | C01 | H11 | H12 | 120.0° | 120.1° |
| C02 | C01 | H11 | H13 | 120.0° | 120.0° |
| C02 | C01 | H12 | H13 | 120.0° | 119.9° |
| C01 | C02 | C03 | H14 | 180.0° | 59.9° |
| C01 | C02 | C03 | H15 | 60.0° | 180.0° |
| C01 | C02 | C03 | H16 | 60.0° | 60.0° |
| C01 | C02 | N40 | H41 | 60.9° | 56.1° |
| C01 | C02 | N40 | H42 | 179.1° | 179.9° |
| N40 | C02 | C04 | O05 | 131.6° | 145.0° |
| N40 | C02 | C04 | N06 | 48.4° | 35.0° |
| N40 | C02 | C01 | H11 | 59.6° | 60.0° |
| N40 | C02 | C01 | H12 | 60.5° | 180.0° |
| N40 | C02 | C01 | H13 | 179.6° | 60.1° |
| N40 | C02 | C03 | H14 | 60.1° | 180.0° |
| N40 | C02 | C03 | H15 | 179.9° | 59.9° |
| N40 | C02 | C03 | H16 | 59.9° | 60.0° |
| C02 | N40 | H41 | H42 | 120.0° | 124.0° |
| C02 | C04 | O05 | N06 | 180.0° | 180.0° |
| C02 | C04 | N06 | C07 | 179.6° | 180.0° |
| C04 | C02 | C01 | H11 | 59.5° | 60.0° |
| C04 | C02 | C01 | H12 | 179.5° | 60.1° |
| C04 | C02 | C01 | H13 | 60.5° | 180.0° |
| C04 | C02 | C03 | H14 | 58.8° | 60.1° |
| C04 | C02 | C03 | H15 | 61.2° | 60.0° |
| C04 | C02 | C03 | H16 | 178.8° | 180.0° |
| C02 | C04 | N06 | H39 | 0.4° | 0.0° |
| C04 | C02 | N40 | H41 | 60.0° | 176.1° |
| C04 | C02 | N40 | H42 | 60.0° | 60.0° |
| O05 | C04 | N06 | C07 | 0.4° | 0.0° |
| O05 | C04 | N06 | H39 | 179.6° | 180.0° |
| C04 | N06 | C07 | H39 | 180.0° | 180.0° |
| C04 | N06 | C07 | C08 | 65.2° | 60.0° |
| C04 | N06 | C07 | C18 | 158.4° | 60.0° |
| C04 | N06 | C07 | H17 | 47.8° | 180.0° |
| N11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C10 | N11 | C12 | H40 | 180.0° | 180.0° |
| N11 | C10 | C09 | C08 | 179.7° | 180.0° |
| N11 | C10 | C09 | C17 | 0.3° | 0.0° |
| C10 | N11 | C12 | C13 | 180.0° | 180.0° |
| C10 | N11 | C12 | C17 | 0.1° | 0.0° |
| C09 | C10 | N11 | C12 | 0.3° | 0.0° |
| C10 | C09 | C08 | C17 | 179.2° | 180.0° |
| C10 | C09 | C17 | C12 | 0.3° | 0.0° |
| C10 | C09 | C08 | C07 | 122.1° | 95.0° |
| C10 | C09 | C17 | C16 | 179.9° | 179.9° |
| C10 | C09 | C08 | H18 | 1.3° | 145.0° |
| C10 | C09 | C08 | H19 | 117.0° | 25.0° |
| C09 | C10 | N11 | H40 | 179.7° | 180.0° |
| C30 | C29 | C28 | H26 | 180.0° | 179.9° |
| C29 | C30 | C31 | H27 | 180.0° | 179.9° |
| C30 | C29 | C28 | C27 | 0.1° | 0.0° |
| C29 | C30 | C31 | C32 | 0.0° | 0.3° |
| C30 | C29 | C28 | H10 | 179.9° | 179.7° |
| C29 | C30 | C31 | H28 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.0° | 0.0° |
| C29 | C28 | C27 | H10 | 180.0° | 179.7° |
| C29 | C28 | C27 | C32 | 0.2° | 0.3° |
| C29 | C28 | C27 | C26 | 180.0° | 179.7° |
| C28 | C29 | C30 | H27 | 180.0° | 179.9° |
| N11 | C12 | C17 | C09 | 0.1° | 0.1° |
| N11 | C12 | C13 | C17 | 180.0° | 180.0° |
| N11 | C12 | C13 | C14 | 180.0° | 180.0° |
| N11 | C12 | C17 | C16 | 180.0° | 180.0° |
| C12 | N11 | C10 | H1 | 179.7° | 179.7° |
| N11 | C12 | C13 | H2 | 0.0° | 0.0° |
| C30 | C31 | C32 | H28 | 180.0° | 179.7° |
| C30 | C31 | C32 | C27 | 0.0° | 0.6° |
| C31 | C30 | C29 | H26 | 180.0° | 180.0° |
| C30 | C31 | C32 | H29 | 179.9° | 180.0° |
| C28 | C27 | C32 | C31 | 0.2° | 0.6° |
| C28 | C27 | C32 | C26 | 179.8° | 180.0° |
| C28 | C27 | C26 | C24 | 88.9° | 95.4° |
| C28 | C27 | C26 | H8 | 149.9° | 24.6° |
| C28 | C27 | C26 | H9 | 32.3° | 144.6° |
| C27 | C28 | C29 | H26 | 179.9° | 179.9° |
| C28 | C27 | C32 | H29 | 179.8° | 180.0° |
| N06 | C07 | C08 | C09 | 131.3° | 65.0° |
| N06 | C07 | C08 | C18 | 135.7° | 120.0° |
| N06 | C07 | C08 | H17 | 113.8° | 120.0° |
| N06 | C07 | C18 | H17 | 111.8° | 120.0° |
| N06 | C07 | C18 | N20 | 49.6° | 160.0° |
| N06 | C07 | C18 | O19 | 131.6° | 20.0° |
| N06 | C07 | C08 | H18 | 10.4° | 175.0° |
| N06 | C07 | C08 | H19 | 107.8° | 55.0° |
| C08 | C09 | C17 | C12 | 179.6° | 180.0° |
| C09 | C08 | C07 | H18 | 120.9° | 120.0° |
| C09 | C08 | C07 | H19 | 120.9° | 120.0° |
| C09 | C08 | C07 | C18 | 93.0° | 175.0° |
| C08 | C09 | C17 | C16 | 0.6° | 0.1° |
| C08 | C09 | C10 | H1 | 0.3° | 0.3° |
| C09 | C08 | C07 | H17 | 17.5° | 55.0° |
| C09 | C08 | H18 | H19 | 117.3° | 120.0° |
| C09 | C17 | C12 | C13 | 179.8° | 180.0° |
| C09 | C17 | C12 | C16 | 179.8° | 179.9° |
| C17 | C09 | C08 | C07 | 57.0° | 85.0° |
| C09 | C17 | C16 | C15 | 179.8° | 179.9° |
| C17 | C09 | C10 | H1 | 179.7° | 179.7° |
| C17 | C09 | C08 | H18 | 177.9° | 35.0° |
| C17 | C09 | C08 | H19 | 63.8° | 155.0° |
| C09 | C17 | C16 | H21 | 0.2° | 0.1° |
| C12 | C13 | C14 | H2 | 180.0° | 180.0° |
| C13 | C12 | C17 | C16 | 0.0° | 0.0° |
| C12 | C13 | C14 | C15 | 0.0° | 0.1° |
| C12 | C13 | C14 | H20 | 179.9° | 180.0° |
| C13 | C12 | N11 | H40 | 0.1° | 0.0° |
| C17 | C12 | C13 | C14 | 0.0° | 0.0° |
| C12 | C17 | C16 | C15 | 0.1° | 0.0° |
| C17 | C12 | C13 | H2 | 180.0° | 180.0° |
| C12 | C17 | C16 | H21 | 179.9° | 180.0° |
| C17 | C12 | N11 | H40 | 179.9° | 180.0° |
| C08 | C07 | C18 | H17 | 110.8° | 120.1° |
| C08 | C07 | C18 | N20 | 173.0° | 80.0° |
| C08 | C07 | C18 | O19 | 5.7° | 100.0° |
| C07 | C08 | H18 | H19 | 117.3° | 120.0° |
| C08 | C07 | N06 | H39 | 114.8° | 120.0° |
| C07 | C18 | N20 | C25 | 0.7° | 175.4° |
| C07 | C18 | N20 | O19 | 178.7° | 180.0° |
| C07 | C18 | N20 | C21 | 177.1° | 4.7° |
| C18 | C07 | C08 | H18 | 146.2° | 55.0° |
| C18 | C07 | C08 | H19 | 27.9° | 65.0° |
| C18 | C07 | N06 | H39 | 21.6° | 120.0° |
| C31 | C32 | C27 | H29 | 180.0° | 179.5° |
| C31 | C32 | C27 | C26 | 180.0° | 179.5° |
| C32 | C31 | C30 | H27 | 180.0° | 179.8° |
| C13 | C14 | C15 | H20 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.1° |
| C13 | C14 | C15 | H3 | 179.9° | 180.0° |
| C17 | C16 | C15 | C14 | 0.1° | 0.1° |
| C17 | C16 | C15 | H21 | 180.0° | 180.0° |
| C17 | C16 | C15 | H3 | 179.9° | 179.9° |
| C32 | C27 | C26 | C24 | 91.3° | 84.6° |
| C32 | C27 | C26 | H8 | 29.9° | 155.4° |
| C32 | C27 | C26 | H9 | 147.6° | 35.4° |
| C32 | C27 | C28 | H10 | 179.8° | 180.0° |
| C27 | C32 | C31 | H28 | 179.9° | 179.7° |
| C27 | C26 | C24 | H8 | 121.2° | 120.0° |
| C27 | C26 | C24 | H9 | 121.2° | 120.0° |
| C27 | C26 | C24 | C25 | 0.8° | 174.3° |
| C27 | C26 | C24 | C33 | 124.6° | 65.5° |
| C27 | C26 | C24 | C23 | 117.4° | 54.5° |
| C27 | C26 | H8 | H9 | 116.3° | 120.0° |
| C26 | C27 | C28 | H10 | 0.0° | 0.0° |
| C26 | C27 | C32 | H29 | 0.0° | 0.0° |
| O34 | C33 | C24 | C26 | 106.9° | 123.6° |
| O34 | C33 | C24 | C25 | 16.1° | 116.3° |
| O34 | C33 | C24 | N35 | 179.7° | 180.0° |
| O34 | C33 | C24 | C23 | 135.2° | 3.6° |
| O34 | C33 | N35 | C36 | 0.4° | 4.1° |
| O34 | C33 | N35 | N37 | 179.8° | 175.9° |
| C14 | C15 | C16 | H3 | 180.0° | 179.9° |
| C15 | C14 | C13 | H2 | 180.0° | 180.0° |
| C14 | C15 | C16 | H21 | 179.9° | 179.9° |
| C16 | C15 | C14 | H20 | 179.9° | 179.9° |
| C26 | C24 | C25 | C33 | 123.2° | 120.1° |
| C26 | C24 | C25 | C23 | 117.8° | 120.0° |
| C26 | C24 | C25 | N20 | 166.6° | 174.6° |
| C26 | C24 | C33 | C23 | 117.9° | 120.0° |
| C26 | C24 | C33 | N35 | 72.8° | 56.4° |
| C26 | C24 | C23 | C22 | 171.0° | 178.7° |
| C24 | C26 | H8 | H9 | 116.3° | 120.0° |
| C26 | C24 | C23 | H22 | 50.6° | 58.7° |
| C26 | C24 | C23 | H23 | 68.5° | 61.3° |
| C26 | C24 | C25 | H24 | 72.1° | 65.6° |
| C26 | C24 | C25 | H25 | 45.4° | 54.8° |
| C24 | C25 | N20 | H24 | 121.2° | 119.7° |
| C24 | C25 | N20 | H25 | 121.2° | 119.8° |
| C24 | C25 | N20 | C18 | 137.8° | 126.4° |
| C25 | C24 | C33 | C23 | 119.1° | 119.8° |
| C25 | C24 | C33 | N35 | 164.2° | 63.7° |
| C24 | C25 | N20 | C21 | 45.5° | 53.6° |
| C25 | C24 | C23 | C22 | 51.8° | 61.3° |
| C25 | C24 | C26 | H8 | 121.9° | 54.4° |
| C25 | C24 | C26 | H9 | 120.4° | 65.6° |
| C25 | C24 | C23 | H22 | 68.7° | 178.7° |
| C25 | C24 | C23 | H23 | 172.3° | 58.7° |
| C24 | C25 | H24 | H25 | 116.0° | 120.3° |
| C25 | N20 | C18 | C21 | 176.3° | 180.0° |
| C25 | N20 | C18 | O19 | 177.9° | 4.6° |
| N20 | C25 | C24 | C33 | 70.1° | 65.3° |
| N20 | C25 | C24 | C23 | 48.8° | 54.6° |
| C25 | N20 | C21 | C22 | 46.2° | 53.6° |
| C25 | N20 | C21 | H4 | 167.0° | 66.2° |
| C25 | N20 | C21 | H5 | 74.7° | 173.4° |
| N20 | C25 | H24 | H25 | 116.1° | 120.4° |
| C18 | N20 | C21 | C22 | 137.0° | 126.4° |
| C18 | N20 | C21 | H4 | 16.2° | 113.9° |
| C18 | N20 | C21 | H5 | 102.1° | 6.5° |
| N20 | C18 | C07 | H17 | 62.2° | 40.0° |
| C18 | N20 | C25 | H24 | 16.6° | 6.6° |
| C18 | N20 | C25 | H25 | 101.0° | 113.9° |
| O19 | C18 | N20 | C21 | 1.6° | 175.4° |
| O19 | C18 | C07 | H17 | 116.6° | 140.0° |
| C24 | C33 | N35 | C36 | 179.9° | 175.9° |
| C24 | C33 | N35 | N37 | 0.5° | 4.0° |
| C33 | C24 | C23 | C22 | 69.4° | 58.6° |
| C33 | C24 | C26 | H8 | 114.2° | 174.5° |
| C33 | C24 | C26 | H9 | 3.4° | 54.5° |
| C33 | C24 | C23 | H22 | 170.2° | 61.4° |
| C33 | C24 | C23 | H23 | 51.1° | 178.6° |
| C33 | C24 | C25 | H24 | 51.1° | 54.5° |
| C33 | C24 | C25 | H25 | 168.6° | 174.9° |
| N35 | C33 | C24 | C23 | 45.1° | 176.5° |
| C33 | N35 | C36 | N37 | 179.5° | 179.9° |
| C33 | N35 | N37 | C39 | 93.6° | 115.9° |
| C33 | N35 | N37 | C38 | 147.0° | 120.1° |
| C33 | N35 | C36 | H30 | 180.0° | 89.9° |
| C33 | N35 | C36 | H31 | 60.0° | 150.0° |
| C33 | N35 | C36 | H32 | 60.0° | 30.1° |
| C24 | C23 | C22 | H22 | 120.5° | 120.0° |
| C24 | C23 | C22 | H23 | 120.5° | 120.0° |
| C24 | C23 | C22 | C21 | 56.0° | 61.3° |
| C24 | C23 | C22 | H6 | 176.4° | 58.6° |
| C24 | C23 | C22 | H7 | 64.5° | 178.7° |
| C23 | C24 | C26 | H8 | 3.8° | 65.5° |
| C23 | C24 | C26 | H9 | 121.4° | 174.5° |
| C24 | C23 | H22 | H23 | 118.6° | 119.9° |
| C23 | C24 | C25 | H24 | 170.1° | 174.4° |
| C23 | C24 | C25 | H25 | 72.4° | 65.2° |
| N20 | C21 | C22 | C23 | 52.5° | 54.6° |
| N20 | C21 | C22 | H4 | 120.8° | 119.8° |
| N20 | C21 | C22 | H5 | 120.9° | 120.0° |
| N20 | C21 | H4 | H5 | 117.4° | 120.5° |
| N20 | C21 | C22 | H6 | 172.9° | 65.3° |
| N20 | C21 | C22 | H7 | 67.9° | 174.6° |
| C21 | N20 | C25 | H24 | 166.7° | 173.4° |
| C21 | N20 | C25 | H25 | 75.8° | 66.2° |
| C36 | N35 | N37 | C39 | 86.9° | 64.1° |
| C36 | N35 | N37 | C38 | 32.4° | 59.9° |
| N35 | C36 | H30 | H31 | 120.0° | 120.0° |
| N35 | C36 | H30 | H32 | 120.0° | 120.0° |
| N35 | C36 | H31 | H32 | 120.0° | 119.9° |
| N35 | N37 | C39 | C38 | 124.3° | 123.9° |
| N37 | N35 | C36 | H30 | 0.5° | 90.0° |
| N37 | N35 | C36 | H31 | 120.6° | 30.0° |
| N37 | N35 | C36 | H32 | 119.5° | 150.0° |
| N35 | N37 | C38 | H33 | 180.0° | 168.5° |
| N35 | N37 | C38 | H34 | 60.0° | 48.4° |
| N35 | N37 | C38 | H35 | 60.0° | 71.5° |
| N35 | N37 | C39 | H36 | 180.0° | 65.6° |
| N35 | N37 | C39 | H37 | 60.0° | 174.4° |
| N35 | N37 | C39 | H38 | 60.0° | 54.4° |
| C39 | N37 | C38 | H33 | 58.2° | 67.6° |
| C39 | N37 | C38 | H34 | 61.8° | 172.3° |
| C39 | N37 | C38 | H35 | 178.2° | 52.4° |
| N37 | C39 | H36 | H37 | 120.0° | 120.0° |
| N37 | C39 | H36 | H38 | 120.0° | 120.1° |
| N37 | C39 | H37 | H38 | 120.0° | 120.0° |
| N37 | C38 | H33 | H34 | 120.0° | 120.1° |
| N37 | C38 | H33 | H35 | 120.0° | 120.0° |
| N37 | C38 | H34 | H35 | 120.0° | 120.0° |
| C38 | N37 | C39 | H36 | 55.7° | 170.4° |
| C38 | N37 | C39 | H37 | 175.8° | 50.4° |
| C38 | N37 | C39 | H38 | 64.3° | 69.5° |
| C23 | C22 | C21 | H6 | 120.4° | 119.9° |
| C23 | C22 | C21 | H7 | 120.4° | 120.0° |
| C23 | C22 | C21 | H4 | 173.4° | 65.2° |
| C23 | C22 | C21 | H5 | 68.4° | 174.6° |
| C23 | C22 | H6 | H7 | 118.7° | 120.1° |
| C22 | C23 | H22 | H23 | 118.5° | 120.0° |
| C22 | C21 | H4 | H5 | 117.4° | 120.2° |
| C21 | C22 | H6 | H7 | 118.7° | 120.1° |
| C21 | C22 | C23 | H22 | 64.5° | 178.6° |
| C21 | C22 | C23 | H23 | 176.5° | 58.7° |
| H1 | C10 | N11 | H40 | 0.3° | 0.3° |
| H2 | C13 | C14 | H20 | 0.1° | 0.0° |
| H3 | C15 | C14 | H20 | 0.1° | 0.1° |
| H3 | C15 | C16 | H21 | 0.1° | 0.1° |
| H4 | C21 | C22 | H6 | 66.2° | 174.9° |
| H4 | C21 | C22 | H7 | 52.9° | 54.8° |
| H5 | C21 | C22 | H6 | 52.1° | 54.7° |
| H5 | C21 | C22 | H7 | 171.2° | 65.4° |
| H6 | C22 | C23 | H22 | 56.0° | 61.5° |
| H6 | C22 | C23 | H23 | 63.1° | 178.5° |
| H7 | C22 | C23 | H22 | 175.1° | 58.7° |
| H7 | C22 | C23 | H23 | 56.0° | 61.3° |
| H10 | C28 | C29 | H26 | 0.1° | 0.3° |
| H11 | C01 | H12 | H13 | 120.0° | 120.0° |
| H14 | C03 | H15 | H16 | 120.0° | 119.9° |
| H17 | C07 | C08 | H18 | 103.3° | 65.0° |
| H17 | C07 | C08 | H19 | 138.4° | 175.0° |
| H17 | C07 | N06 | H39 | 132.3° | 0.0° |
| H26 | C29 | C30 | H27 | 0.0° | 0.1° |
| H27 | C30 | C31 | H28 | 0.0° | 0.0° |
| H28 | C31 | C32 | H29 | 0.1° | 0.2° |
| H30 | C36 | H31 | H32 | 120.0° | 120.0° |
| H33 | C38 | H34 | H35 | 120.0° | 120.0° |
| H36 | C39 | H37 | H38 | 120.0° | 120.0° |
