X5Y
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C04 | C02 | sing | 1.53Å | 1.52Å | |
| C03 | C02 | sing | 1.53Å | 1.54Å | |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| C02 | O05 | sing | 1.45Å | 1.44Å | |
| O05 | C06 | sing | 1.35Å | 1.39Å | |
| O07 | C06 | doub | 1.22Å | 1.24Å | |
| C06 | N08 | sing | 1.35Å | 1.40Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | C14 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| N08 | C09 | sing | 1.47Å | 1.49Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C14 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.53Å | 1.57Å | |
| C09 | C32 | sing | 1.53Å | 1.57Å | |
| C10 | S11 | sing | 1.81Å | 1.86Å | |
| C12 | S11 | sing | 1.81Å | 1.89Å | |
| C12 | C20 | sing | 1.51Å | 1.54Å | |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | C37 | doub | 1.38Å | 1.40Å | Aromatic |
| C38 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.39Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C32 | C33 | sing | 1.51Å | 1.52Å | |
| C20 | N22 | sing | 1.35Å | 1.39Å | |
| C20 | O21 | doub | 1.21Å | 1.25Å | |
| N22 | C23 | sing | 1.47Å | 1.49Å | |
| C31 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C37 | C36 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | N28 | doub | 1.32Å | 1.35Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.56Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C36 | C35 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C25 | sing | 1.51Å | 1.52Å | |
| C26 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C34 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| N28 | C27 | sing | 1.32Å | 1.35Å | Aromatic |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C03 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C18 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C23 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C24 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | H34 | sing | 1.08Å | 1.08Å | |
| C36 | H35 | sing | 1.08Å | 1.08Å | |
| C37 | H36 | sing | 1.08Å | 1.08Å | |
| C38 | H37 | sing | 1.08Å | 1.08Å | |
| N08 | H38 | sing | 0.97Å | 1.00Å | |
| N22 | H39 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C02 | C03 | 110.5° | 109.5° |
| C04 | C02 | C01 | 106.2° | 109.5° |
| C04 | C02 | O05 | 109.5° | 109.5° |
| C02 | C04 | H6 | 109.5° | 109.4° |
| C02 | C04 | H7 | 109.4° | 109.5° |
| C02 | C04 | H8 | 109.5° | 109.5° |
| C03 | C02 | C01 | 106.8° | 109.5° |
| C03 | C02 | O05 | 108.6° | 109.4° |
| C02 | C03 | H3 | 109.5° | 109.4° |
| C02 | C03 | H4 | 109.5° | 109.5° |
| C02 | C03 | H5 | 109.5° | 109.5° |
| C01 | C02 | O05 | 115.2° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C02 | C01 | H14 | 109.5° | 109.5° |
| C02 | C01 | H15 | 109.5° | 109.5° |
| C02 | O05 | C06 | 123.9° | 117.0° |
| O05 | C06 | O07 | 116.9° | 120.0° |
| O05 | C06 | N08 | 120.0° | 120.0° |
| O07 | C06 | N08 | 121.4° | 120.0° |
| C06 | N08 | C09 | 125.3° | 120.0° |
| C06 | N08 | H38 | 117.3° | 120.0° |
| C16 | C15 | C14 | 121.7° | 120.0° |
| C15 | C16 | C17 | 120.8° | 120.0° |
| C16 | C15 | H16 | 119.2° | 120.0° |
| C15 | C16 | H17 | 119.6° | 120.0° |
| C15 | C14 | C13 | 123.0° | 120.0° |
| C15 | C14 | C19 | 116.0° | 120.0° |
| C14 | C15 | H16 | 119.2° | 120.0° |
| C16 | C17 | C18 | 118.3° | 120.0° |
| C17 | C16 | H17 | 119.6° | 120.0° |
| C16 | C17 | H18 | 120.8° | 120.0° |
| N08 | C09 | C10 | 107.6° | 109.5° |
| N08 | C09 | C32 | 113.5° | 109.4° |
| N08 | C09 | H9 | 109.3° | 109.5° |
| C09 | N08 | H38 | 117.4° | 120.0° |
| C14 | C13 | C12 | 116.9° | 109.5° |
| C13 | C14 | C19 | 120.9° | 120.0° |
| C14 | C13 | H11 | 107.6° | 109.5° |
| C14 | C13 | H12 | 107.6° | 109.5° |
| C13 | C12 | S11 | 110.7° | 109.5° |
| C13 | C12 | C20 | 113.6° | 109.4° |
| C13 | C12 | H10 | 109.6° | 109.5° |
| C12 | C13 | H11 | 107.6° | 109.4° |
| C12 | C13 | H12 | 107.6° | 109.5° |
| C14 | C19 | C18 | 122.8° | 120.0° |
| C14 | C19 | H20 | 118.6° | 120.0° |
| C17 | C18 | C19 | 120.3° | 120.0° |
| C18 | C17 | H18 | 120.8° | 120.0° |
| C17 | C18 | H19 | 119.9° | 120.0° |
| C10 | C09 | C32 | 109.8° | 109.5° |
| C09 | C10 | S11 | 114.1° | 109.5° |
| C09 | C10 | H1 | 108.3° | 109.5° |
| C09 | C10 | H2 | 108.3° | 109.5° |
| C10 | C09 | H9 | 108.2° | 109.5° |
| C09 | C32 | C33 | 116.5° | 109.5° |
| C32 | C09 | H9 | 108.3° | 109.5° |
| C09 | C32 | H31 | 107.7° | 109.4° |
| C09 | C32 | H32 | 107.7° | 109.4° |
| C10 | S11 | C12 | 111.6° | 103.0° |
| S11 | C10 | H1 | 108.3° | 109.4° |
| S11 | C10 | H2 | 108.3° | 109.5° |
| S11 | C12 | C20 | 106.9° | 109.5° |
| S11 | C12 | H10 | 106.0° | 109.5° |
| C12 | C20 | N22 | 121.8° | 120.0° |
| C12 | C20 | O21 | 120.3° | 120.0° |
| C20 | C12 | H10 | 109.8° | 109.4° |
| C19 | C18 | H19 | 119.8° | 120.0° |
| C18 | C19 | H20 | 118.6° | 120.0° |
| C37 | C38 | C33 | 122.5° | 120.1° |
| C38 | C37 | C36 | 120.4° | 120.0° |
| C38 | C37 | H36 | 119.8° | 120.0° |
| C37 | C38 | H37 | 118.7° | 120.0° |
| C38 | C33 | C32 | 121.2° | 120.0° |
| C38 | C33 | C34 | 116.2° | 120.0° |
| C33 | C38 | H37 | 118.8° | 119.9° |
| C31 | C30 | C29 | 118.9° | 119.2° |
| C30 | C31 | C26 | 121.5° | 118.4° |
| C31 | C30 | H29 | 120.5° | 120.4° |
| C30 | C31 | H30 | 119.2° | 120.9° |
| C30 | C29 | N28 | 121.4° | 120.8° |
| C30 | C29 | H28 | 119.3° | 119.6° |
| C29 | C30 | H29 | 120.6° | 120.5° |
| C32 | C33 | C34 | 122.6° | 120.0° |
| C33 | C32 | H31 | 107.7° | 109.5° |
| C33 | C32 | H32 | 107.7° | 109.5° |
| N22 | C20 | O21 | 117.9° | 120.0° |
| C20 | N22 | C23 | 125.9° | 120.0° |
| C20 | N22 | H39 | 117.0° | 120.0° |
| N22 | C23 | C24 | 111.6° | 109.5° |
| N22 | C23 | H21 | 108.9° | 109.5° |
| N22 | C23 | H22 | 108.9° | 109.5° |
| C23 | N22 | H39 | 117.1° | 120.0° |
| C31 | C26 | C25 | 124.3° | 120.4° |
| C31 | C26 | C27 | 114.5° | 119.2° |
| C26 | C31 | H30 | 119.2° | 120.8° |
| C37 | C36 | C35 | 118.3° | 120.0° |
| C37 | C36 | H35 | 120.8° | 120.0° |
| C36 | C37 | H36 | 119.8° | 120.0° |
| C33 | C34 | C35 | 121.8° | 120.0° |
| C33 | C34 | H33 | 119.1° | 120.0° |
| C29 | N28 | C27 | 118.2° | 121.7° |
| N28 | C29 | H28 | 119.3° | 119.6° |
| C23 | C24 | C25 | 115.2° | 109.5° |
| C24 | C23 | H21 | 108.9° | 109.5° |
| C24 | C23 | H22 | 108.9° | 109.5° |
| C23 | C24 | H23 | 108.0° | 109.5° |
| C23 | C24 | H24 | 108.0° | 109.5° |
| C24 | C25 | C26 | 115.5° | 109.5° |
| C25 | C24 | H23 | 108.0° | 109.5° |
| C25 | C24 | H24 | 108.0° | 109.4° |
| C24 | C25 | H25 | 108.0° | 109.5° |
| C24 | C25 | H26 | 107.9° | 109.4° |
| C36 | C35 | C34 | 120.8° | 120.0° |
| C36 | C35 | H34 | 119.6° | 120.0° |
| C35 | C36 | H35 | 120.9° | 119.9° |
| C25 | C26 | C27 | 121.2° | 120.4° |
| C26 | C25 | H25 | 107.9° | 109.5° |
| C26 | C25 | H26 | 108.0° | 109.5° |
| C26 | C27 | N28 | 125.4° | 120.8° |
| C26 | C27 | H27 | 117.3° | 119.6° |
| C35 | C34 | H33 | 119.1° | 120.0° |
| C34 | C35 | H34 | 119.6° | 120.0° |
| N28 | C27 | H27 | 117.3° | 119.6° |
| H1 | C10 | H2 | 109.4° | 109.5° |
| H3 | C03 | H4 | 109.5° | 109.5° |
| H3 | C03 | H5 | 109.5° | 109.4° |
| H4 | C03 | H5 | 109.5° | 109.5° |
| H6 | C04 | H7 | 109.5° | 109.5° |
| H6 | C04 | H8 | 109.5° | 109.5° |
| H7 | C04 | H8 | 109.5° | 109.6° |
| H11 | C13 | H12 | 109.5° | 109.5° |
| H13 | C01 | H14 | 109.5° | 109.4° |
| H13 | C01 | H15 | 109.5° | 109.5° |
| H14 | C01 | H15 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.4° |
| H23 | C24 | H24 | 109.5° | 109.4° |
| H25 | C25 | H26 | 109.5° | 109.4° |
| H31 | C32 | H32 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C02 | C03 | C01 | 115.1° | 120.0° |
| C04 | C02 | C03 | O05 | 120.1° | 120.0° |
| C04 | C02 | C01 | O05 | 121.4° | 120.0° |
| C04 | C02 | O05 | C06 | 110.4° | 180.0° |
| C04 | C02 | C03 | H3 | 180.0° | 60.0° |
| C04 | C02 | C03 | H4 | 60.0° | 60.0° |
| C04 | C02 | C03 | H5 | 60.0° | 180.0° |
| C02 | C04 | H6 | H7 | 120.0° | 119.9° |
| C02 | C04 | H6 | H8 | 120.0° | 120.0° |
| C02 | C04 | H7 | H8 | 120.0° | 120.0° |
| C04 | C02 | C01 | H13 | 180.0° | 60.0° |
| C04 | C02 | C01 | H14 | 60.0° | 59.9° |
| C04 | C02 | C01 | H15 | 60.0° | 180.0° |
| C03 | C02 | C01 | O05 | 120.7° | 120.0° |
| C03 | C02 | O05 | C06 | 128.9° | 60.0° |
| C02 | C03 | H3 | H4 | 120.0° | 120.0° |
| C02 | C03 | H3 | H5 | 120.0° | 120.0° |
| C02 | C03 | H4 | H5 | 120.0° | 120.1° |
| C03 | C02 | C04 | H6 | 180.0° | 180.0° |
| C03 | C02 | C04 | H7 | 60.0° | 60.0° |
| C03 | C02 | C04 | H8 | 60.0° | 60.1° |
| C03 | C02 | C01 | H13 | 62.1° | 180.0° |
| C03 | C02 | C01 | H14 | 57.9° | 60.1° |
| C03 | C02 | C01 | H15 | 177.9° | 60.0° |
| C01 | C02 | O05 | C06 | 9.3° | 60.0° |
| C01 | C02 | C03 | H3 | 64.9° | 60.0° |
| C01 | C02 | C03 | H4 | 175.1° | 180.0° |
| C01 | C02 | C03 | H5 | 55.1° | 59.9° |
| C01 | C02 | C04 | H6 | 64.6° | 60.0° |
| C01 | C02 | C04 | H7 | 55.4° | 180.0° |
| C01 | C02 | C04 | H8 | 175.4° | 59.9° |
| C02 | C01 | H13 | H14 | 120.0° | 120.0° |
| C02 | C01 | H13 | H15 | 120.0° | 120.0° |
| C02 | C01 | H14 | H15 | 120.0° | 120.0° |
| C02 | O05 | C06 | O07 | 66.9° | 0.0° |
| C02 | O05 | C06 | N08 | 128.1° | 180.0° |
| O05 | C02 | C03 | H3 | 59.9° | 180.0° |
| O05 | C02 | C03 | H4 | 60.1° | 60.0° |
| O05 | C02 | C03 | H5 | 179.9° | 60.1° |
| O05 | C02 | C04 | H6 | 60.4° | 60.0° |
| O05 | C02 | C04 | H7 | 179.6° | 59.9° |
| O05 | C02 | C04 | H8 | 59.6° | 180.0° |
| O05 | C02 | C01 | H13 | 58.6° | 60.0° |
| O05 | C02 | C01 | H14 | 178.6° | 180.0° |
| O05 | C02 | C01 | H15 | 61.5° | 59.9° |
| O05 | C06 | O07 | N08 | 164.8° | 180.0° |
| O05 | C06 | N08 | C09 | 142.5° | 180.0° |
| O05 | C06 | N08 | H38 | 37.5° | 0.0° |
| O07 | C06 | N08 | C09 | 53.2° | 0.0° |
| O07 | C06 | N08 | H38 | 126.8° | 180.0° |
| C06 | N08 | C09 | H38 | 180.0° | 180.0° |
| C06 | N08 | C09 | C10 | 95.2° | 155.0° |
| C06 | N08 | C09 | C32 | 143.1° | 85.0° |
| C06 | N08 | C09 | H9 | 22.1° | 35.0° |
| C16 | C15 | C14 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | H17 | 180.0° | 179.9° |
| C16 | C15 | C14 | C13 | 180.0° | 180.0° |
| C16 | C15 | C14 | C19 | 0.2° | 0.3° |
| C15 | C16 | C17 | C18 | 0.0° | 0.1° |
| C15 | C16 | C17 | H18 | 179.9° | 179.9° |
| C14 | C15 | C16 | C17 | 0.2° | 0.1° |
| C15 | C14 | C13 | C19 | 179.7° | 179.7° |
| C15 | C14 | C13 | C12 | 89.1° | 83.2° |
| C15 | C14 | C19 | C18 | 0.2° | 0.5° |
| C15 | C14 | C13 | H11 | 32.0° | 156.8° |
| C15 | C14 | C13 | H12 | 149.8° | 36.8° |
| C14 | C15 | C16 | H17 | 179.9° | 180.0° |
| C15 | C14 | C19 | H20 | 179.8° | 179.7° |
| C16 | C17 | C18 | H18 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.0° | 0.2° |
| C17 | C16 | C15 | H16 | 179.8° | 180.0° |
| C16 | C17 | C18 | H19 | 180.0° | 179.9° |
| N08 | C09 | C10 | C32 | 124.0° | 120.0° |
| N08 | C09 | C10 | H9 | 118.0° | 120.0° |
| N08 | C09 | C32 | H9 | 121.5° | 120.0° |
| N08 | C09 | C10 | S11 | 135.9° | 65.0° |
| N08 | C09 | C32 | C33 | 97.3° | 65.0° |
| N08 | C09 | C10 | H1 | 103.4° | 175.0° |
| N08 | C09 | C10 | H2 | 15.2° | 55.0° |
| N08 | C09 | C32 | H31 | 23.8° | 55.0° |
| N08 | C09 | C32 | H32 | 141.7° | 175.0° |
| C14 | C13 | C12 | H11 | 121.1° | 120.0° |
| C14 | C13 | C12 | H12 | 121.0° | 120.1° |
| C14 | C13 | C12 | S11 | 153.8° | 174.2° |
| C14 | C13 | C12 | C20 | 33.6° | 65.8° |
| C13 | C14 | C19 | C18 | 180.0° | 179.8° |
| C14 | C13 | C12 | H10 | 89.6° | 54.2° |
| C14 | C13 | H11 | H12 | 116.6° | 120.0° |
| C13 | C14 | C15 | H16 | 0.0° | 0.1° |
| C13 | C14 | C19 | H20 | 0.0° | 0.0° |
| C12 | C13 | C14 | C19 | 90.6° | 96.5° |
| C13 | C12 | S11 | C10 | 122.8° | 68.1° |
| C13 | C12 | S11 | C20 | 124.1° | 120.0° |
| C13 | C12 | S11 | H10 | 118.8° | 120.0° |
| C13 | C12 | C20 | H10 | 123.1° | 119.9° |
| C13 | C12 | C20 | N22 | 81.1° | 85.0° |
| C13 | C12 | C20 | O21 | 98.5° | 95.0° |
| C12 | C13 | H11 | H12 | 116.7° | 120.0° |
| C14 | C19 | C18 | C17 | 0.1° | 0.4° |
| C14 | C19 | C18 | H20 | 180.0° | 179.8° |
| C19 | C14 | C13 | H11 | 148.3° | 23.5° |
| C19 | C14 | C13 | H12 | 30.5° | 143.5° |
| C19 | C14 | C15 | H16 | 179.8° | 179.8° |
| C14 | C19 | C18 | H19 | 179.9° | 179.7° |
| C17 | C18 | C19 | H19 | 180.0° | 179.8° |
| C18 | C17 | C16 | H17 | 180.0° | 180.0° |
| C17 | C18 | C19 | H20 | 179.9° | 179.8° |
| C10 | C09 | C32 | H9 | 118.0° | 120.0° |
| C09 | C10 | S11 | H1 | 120.7° | 120.0° |
| C09 | C10 | S11 | H2 | 120.7° | 120.0° |
| C09 | C10 | S11 | C12 | 30.2° | 174.9° |
| C10 | C09 | C32 | C33 | 142.3° | 175.0° |
| C09 | C10 | H1 | H2 | 117.9° | 120.0° |
| C10 | C09 | C32 | H31 | 96.6° | 65.0° |
| C10 | C09 | C32 | H32 | 21.3° | 55.0° |
| C10 | C09 | N08 | H38 | 84.7° | 25.0° |
| C32 | C09 | C10 | S11 | 100.1° | 175.0° |
| C09 | C32 | C33 | C38 | 68.4° | 90.2° |
| C09 | C32 | C33 | H31 | 121.0° | 120.0° |
| C09 | C32 | C33 | H32 | 121.0° | 119.9° |
| C09 | C32 | C33 | C34 | 111.7° | 90.0° |
| C32 | C09 | C10 | H1 | 20.5° | 55.1° |
| C32 | C09 | C10 | H2 | 139.2° | 65.0° |
| C09 | C32 | H31 | H32 | 116.8° | 119.9° |
| C32 | C09 | N08 | H38 | 37.0° | 95.0° |
| C10 | S11 | C12 | C20 | 113.0° | 171.9° |
| S11 | C10 | H1 | H2 | 117.9° | 120.0° |
| S11 | C10 | C09 | H9 | 17.9° | 55.0° |
| C10 | S11 | C12 | H10 | 4.1° | 51.9° |
| S11 | C12 | C20 | H10 | 114.6° | 120.1° |
| S11 | C12 | C20 | N22 | 156.6° | 155.0° |
| S11 | C12 | C20 | O21 | 23.8° | 25.0° |
| C12 | S11 | C10 | H1 | 150.9° | 65.2° |
| C12 | S11 | C10 | H2 | 90.5° | 54.9° |
| S11 | C12 | C13 | H11 | 85.1° | 65.8° |
| S11 | C12 | C13 | H12 | 32.8° | 54.2° |
| C12 | C20 | N22 | O21 | 179.6° | 180.0° |
| C12 | C20 | N22 | C23 | 179.8° | 180.0° |
| C20 | C12 | C13 | H11 | 154.6° | 54.2° |
| C20 | C12 | C13 | H12 | 87.5° | 174.2° |
| C12 | C20 | N22 | H39 | 0.2° | 0.0° |
| C19 | C18 | C17 | H18 | 179.9° | 179.9° |
| C37 | C38 | C33 | H37 | 180.0° | 179.5° |
| C37 | C38 | C33 | C32 | 179.9° | 179.7° |
| C38 | C37 | C36 | H36 | 180.0° | 179.7° |
| C37 | C38 | C33 | C34 | 0.0° | 0.5° |
| C38 | C37 | C36 | C35 | 0.1° | 0.3° |
| C38 | C37 | C36 | H35 | 179.9° | 179.7° |
| C38 | C33 | C32 | C34 | 179.9° | 179.8° |
| C33 | C38 | C37 | C36 | 0.1° | 0.6° |
| C38 | C33 | C34 | C35 | 0.1° | 0.2° |
| C38 | C33 | C32 | H31 | 52.6° | 149.8° |
| C38 | C33 | C32 | H32 | 170.5° | 29.7° |
| C38 | C33 | C34 | H33 | 179.9° | 179.7° |
| C33 | C38 | C37 | H36 | 179.9° | 179.7° |
| C31 | C30 | C29 | H29 | 180.0° | 179.9° |
| C30 | C31 | C26 | H30 | 180.0° | 180.0° |
| C31 | C30 | C29 | N28 | 0.0° | 0.3° |
| C30 | C31 | C26 | C25 | 179.8° | 180.0° |
| C30 | C31 | C26 | C27 | 0.1° | 0.3° |
| C31 | C30 | C29 | H28 | 180.0° | 180.0° |
| C29 | C30 | C31 | C26 | 0.0° | 0.0° |
| C30 | C29 | N28 | H28 | 180.0° | 179.7° |
| C30 | C29 | N28 | C27 | 0.2° | 0.3° |
| C29 | C30 | C31 | H30 | 179.9° | 180.0° |
| C32 | C33 | C34 | C35 | 180.0° | 180.0° |
| C33 | C32 | C09 | H9 | 24.3° | 55.0° |
| C33 | C32 | H31 | H32 | 116.8° | 120.0° |
| C32 | C33 | C34 | H33 | 0.0° | 0.1° |
| C32 | C33 | C38 | H37 | 0.1° | 0.2° |
| C20 | N22 | C23 | H39 | 180.0° | 180.0° |
| C20 | N22 | C23 | C24 | 167.3° | 180.0° |
| N22 | C20 | C12 | H10 | 42.0° | 34.9° |
| C20 | N22 | C23 | H21 | 72.4° | 60.0° |
| C20 | N22 | C23 | H22 | 47.0° | 60.0° |
| O21 | C20 | N22 | C23 | 0.2° | 0.0° |
| O21 | C20 | C12 | H10 | 138.4° | 145.0° |
| O21 | C20 | N22 | H39 | 179.8° | 180.0° |
| N22 | C23 | C24 | H21 | 120.3° | 120.0° |
| N22 | C23 | C24 | H22 | 120.3° | 120.0° |
| N22 | C23 | C24 | C25 | 147.5° | 180.0° |
| N22 | C23 | H21 | H22 | 119.0° | 120.0° |
| N22 | C23 | C24 | H23 | 91.7° | 60.0° |
| N22 | C23 | C24 | H24 | 26.7° | 60.0° |
| C31 | C26 | C25 | C24 | 20.8° | 90.3° |
| C31 | C26 | C25 | C27 | 179.7° | 179.7° |
| C31 | C26 | C27 | N28 | 0.2° | 0.3° |
| C31 | C26 | C25 | H25 | 141.7° | 149.7° |
| C31 | C26 | C25 | H26 | 100.1° | 29.7° |
| C31 | C26 | C27 | H27 | 179.8° | 179.7° |
| C26 | C31 | C30 | H29 | 180.0° | 179.9° |
| C37 | C36 | C35 | H35 | 180.0° | 179.9° |
| C37 | C36 | C35 | C34 | 0.0° | 0.0° |
| C37 | C36 | C35 | H34 | 180.0° | 180.0° |
| C36 | C37 | C38 | H37 | 179.9° | 180.0° |
| C33 | C34 | C35 | C36 | 0.1° | 0.0° |
| C33 | C34 | C35 | H33 | 180.0° | 179.9° |
| C34 | C33 | C32 | H31 | 127.3° | 30.0° |
| C34 | C33 | C32 | H32 | 9.3° | 150.1° |
| C33 | C34 | C35 | H34 | 179.9° | 179.9° |
| C34 | C33 | C38 | H37 | 180.0° | 180.0° |
| C29 | N28 | C27 | C26 | 0.3° | 0.0° |
| C29 | N28 | C27 | H27 | 179.7° | 180.0° |
| N28 | C29 | C30 | H29 | 180.0° | 179.8° |
| C23 | C24 | C25 | H23 | 120.8° | 120.0° |
| C23 | C24 | C25 | H24 | 120.8° | 120.0° |
| C23 | C24 | C25 | C26 | 103.5° | 180.0° |
| C24 | C23 | H21 | H22 | 119.0° | 120.0° |
| C23 | C24 | H23 | H24 | 117.4° | 120.0° |
| C23 | C24 | C25 | H25 | 17.4° | 60.0° |
| C23 | C24 | C25 | H26 | 135.6° | 60.0° |
| C24 | C23 | N22 | H39 | 12.7° | 0.0° |
| C24 | C25 | C26 | H25 | 120.9° | 120.0° |
| C24 | C25 | C26 | H26 | 120.9° | 120.0° |
| C24 | C25 | C26 | C27 | 158.9° | 90.0° |
| C25 | C24 | C23 | H21 | 27.2° | 60.0° |
| C25 | C24 | C23 | H22 | 92.2° | 60.0° |
| C25 | C24 | H23 | H24 | 117.4° | 120.0° |
| C24 | C25 | H25 | H26 | 117.3° | 120.0° |
| C36 | C35 | C34 | H34 | 180.0° | 180.0° |
| C36 | C35 | C34 | H33 | 179.9° | 180.0° |
| C35 | C36 | C37 | H36 | 179.9° | 180.0° |
| C25 | C26 | C27 | N28 | 179.9° | 180.0° |
| C26 | C25 | C24 | H23 | 135.7° | 60.0° |
| C26 | C25 | C24 | H24 | 17.4° | 60.0° |
| C26 | C25 | H25 | H26 | 117.3° | 120.0° |
| C25 | C26 | C27 | H27 | 0.0° | 0.1° |
| C25 | C26 | C31 | H30 | 0.3° | 0.0° |
| C26 | C27 | N28 | H27 | 180.0° | 180.0° |
| C27 | C26 | C25 | H25 | 38.0° | 30.0° |
| C27 | C26 | C25 | H26 | 80.2° | 150.0° |
| C27 | C26 | C31 | H30 | 180.0° | 179.7° |
| C34 | C35 | C36 | H35 | 180.0° | 180.0° |
| C27 | N28 | C29 | H28 | 179.8° | 180.0° |
| H1 | C10 | C09 | H9 | 138.6° | 65.0° |
| H2 | C10 | C09 | H9 | 102.8° | 175.0° |
| H3 | C03 | H4 | H5 | 120.0° | 120.0° |
| H6 | C04 | H7 | H8 | 120.0° | 120.0° |
| H9 | C09 | C32 | H31 | 145.3° | 175.0° |
| H9 | C09 | C32 | H32 | 96.8° | 65.0° |
| H9 | C09 | N08 | H38 | 158.0° | 145.0° |
| H10 | C12 | C13 | H11 | 31.5° | 174.2° |
| H10 | C12 | C13 | H12 | 149.4° | 65.9° |
| H13 | C01 | H14 | H15 | 120.0° | 120.0° |
| H16 | C15 | C16 | H17 | 0.1° | 0.1° |
| H17 | C16 | C17 | H18 | 0.0° | 0.1° |
| H18 | C17 | C18 | H19 | 0.1° | 0.1° |
| H19 | C18 | C19 | H20 | 0.1° | 0.1° |
| H21 | C23 | C24 | H23 | 148.0° | 60.0° |
| H21 | C23 | C24 | H24 | 93.7° | 180.0° |
| H21 | C23 | N22 | H39 | 107.6° | 120.1° |
| H22 | C23 | C24 | H23 | 28.7° | 180.0° |
| H22 | C23 | C24 | H24 | 147.0° | 60.0° |
| H22 | C23 | N22 | H39 | 133.0° | 120.0° |
| H23 | C24 | C25 | H25 | 103.5° | 180.0° |
| H23 | C24 | C25 | H26 | 14.8° | 60.0° |
| H24 | C24 | C25 | H25 | 138.2° | 60.0° |
| H24 | C24 | C25 | H26 | 103.5° | NaN° |
| H28 | C29 | C30 | H29 | 0.0° | 0.1° |
| H29 | C30 | C31 | H30 | 0.1° | 0.1° |
| H33 | C34 | C35 | H34 | 0.1° | 0.0° |
| H34 | C35 | C36 | H35 | 0.0° | 0.1° |
| H35 | C36 | C37 | H36 | 0.1° | 0.1° |
| H36 | C37 | C38 | H37 | 0.1° | 0.3° |
