X7M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.55Å | |
| C04 | C02 | sing | 1.53Å | 1.52Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C02 | O05 | sing | 1.45Å | 1.43Å | |
| C37 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | N28 | sing | 1.32Å | 1.35Å | Aromatic |
| O05 | C06 | sing | 1.35Å | 1.39Å | |
| C30 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| C38 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| N28 | C27 | doub | 1.32Å | 1.35Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | O07 | doub | 1.22Å | 1.23Å | |
| C06 | N08 | sing | 1.35Å | 1.40Å | |
| C31 | C26 | doub | 1.39Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C32 | sing | 1.51Å | 1.52Å | |
| C27 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| N08 | C09 | sing | 1.47Å | 1.49Å | |
| C26 | C25 | sing | 1.51Å | 1.52Å | |
| C09 | C32 | sing | 1.53Å | 1.57Å | |
| C09 | C10 | sing | 1.53Å | 1.57Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| C10 | S11 | sing | 1.81Å | 1.86Å | |
| S11 | C12 | sing | 1.81Å | 1.89Å | |
| C24 | C23 | sing | 1.53Å | 1.56Å | |
| C23 | N22 | sing | 1.46Å | 1.48Å | |
| N22 | C20 | sing | 1.35Å | 1.39Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C20 | C12 | sing | 1.51Å | 1.54Å | |
| C20 | O21 | doub | 1.21Å | 1.25Å | |
| C15 | C14 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C01 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | 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) |
| C01 | C02 | C04 | 106.1° | 109.5° |
| C01 | C02 | C03 | 107.0° | 109.5° |
| C01 | C02 | O05 | 114.7° | 109.4° |
| C02 | C01 | H14 | 109.5° | 109.5° |
| C02 | C01 | H15 | 109.4° | 109.5° |
| C02 | C01 | H16 | 109.5° | 109.5° |
| C04 | C02 | C03 | 110.3° | 109.5° |
| C04 | C02 | O05 | 110.6° | 109.5° |
| C02 | C04 | H10 | 109.5° | 109.4° |
| C02 | C04 | H11 | 109.5° | 109.5° |
| C02 | C04 | H12 | 109.5° | 109.4° |
| C03 | C02 | O05 | 108.1° | 109.5° |
| C02 | C03 | H7 | 109.5° | 109.5° |
| C02 | C03 | H8 | 109.5° | 109.5° |
| C02 | C03 | H9 | 109.5° | 109.5° |
| C02 | O05 | C06 | 123.1° | 117.0° |
| C36 | C37 | C38 | 120.4° | 120.0° |
| C37 | C36 | C35 | 118.3° | 120.0° |
| C37 | C36 | H35 | 120.9° | 120.0° |
| C36 | C37 | H36 | 119.8° | 120.0° |
| C37 | C38 | C33 | 122.6° | 120.0° |
| C38 | C37 | H36 | 119.8° | 120.0° |
| C37 | C38 | H37 | 118.7° | 120.0° |
| C36 | C35 | C34 | 120.8° | 120.0° |
| C36 | C35 | H34 | 119.6° | 120.0° |
| C35 | C36 | H35 | 120.9° | 120.0° |
| C30 | C29 | N28 | 121.5° | 120.8° |
| C29 | C30 | C31 | 118.9° | 119.2° |
| C30 | C29 | H28 | 119.3° | 119.6° |
| C29 | C30 | H29 | 120.5° | 120.4° |
| C29 | N28 | C27 | 118.1° | 121.7° |
| N28 | C29 | H28 | 119.3° | 119.6° |
| O05 | C06 | O07 | 117.3° | 120.0° |
| O05 | C06 | N08 | 119.6° | 120.0° |
| C30 | C31 | C26 | 121.5° | 118.4° |
| C31 | C30 | H29 | 120.6° | 120.4° |
| C30 | C31 | H30 | 119.3° | 120.8° |
| C38 | C33 | C34 | 116.2° | 120.0° |
| C38 | C33 | C32 | 121.2° | 120.0° |
| C33 | C38 | H37 | 118.7° | 120.0° |
| N28 | C27 | C26 | 125.4° | 120.8° |
| N28 | C27 | H27 | 117.3° | 119.6° |
| C35 | C34 | C33 | 121.7° | 120.0° |
| C35 | C34 | H33 | 119.1° | 120.0° |
| C34 | C35 | H34 | 119.6° | 119.9° |
| O07 | C06 | N08 | 122.1° | 120.1° |
| C06 | N08 | C09 | 125.6° | 120.0° |
| C06 | N08 | H38 | 117.2° | 120.0° |
| C31 | C26 | C27 | 114.6° | 119.2° |
| C31 | C26 | C25 | 124.1° | 120.4° |
| C26 | C31 | H30 | 119.2° | 120.8° |
| C34 | C33 | C32 | 122.6° | 120.0° |
| C33 | C34 | H33 | 119.2° | 120.0° |
| C33 | C32 | C09 | 116.2° | 109.5° |
| C33 | C32 | H31 | 107.8° | 109.5° |
| C33 | C32 | H32 | 107.8° | 109.4° |
| C27 | C26 | C25 | 121.3° | 120.4° |
| C26 | C27 | H27 | 117.3° | 119.7° |
| N08 | C09 | C32 | 113.2° | 109.4° |
| N08 | C09 | C10 | 107.9° | 109.5° |
| N08 | C09 | H13 | 109.1° | 109.5° |
| C09 | N08 | H38 | 117.2° | 120.0° |
| C26 | C25 | C24 | 115.3° | 109.5° |
| C26 | C25 | H25 | 108.0° | 109.5° |
| C26 | C25 | H26 | 108.0° | 109.4° |
| C32 | C09 | C10 | 110.3° | 109.4° |
| C32 | C09 | H13 | 108.1° | 109.4° |
| C09 | C32 | H31 | 107.8° | 109.5° |
| C09 | C32 | H32 | 107.8° | 109.5° |
| C09 | C10 | S11 | 113.4° | 109.4° |
| C09 | C10 | H4 | 108.5° | 109.5° |
| C09 | C10 | H5 | 108.5° | 109.5° |
| C10 | C09 | H13 | 108.1° | 109.5° |
| C25 | C24 | C23 | 114.4° | 109.5° |
| C25 | C24 | H23 | 108.2° | 109.5° |
| C25 | C24 | H24 | 108.2° | 109.5° |
| C24 | C25 | H25 | 108.0° | 109.5° |
| C24 | C25 | H26 | 108.0° | 109.5° |
| C10 | S11 | C12 | 111.9° | 103.0° |
| S11 | C10 | H4 | 108.5° | 109.5° |
| S11 | C10 | H5 | 108.5° | 109.5° |
| S11 | C12 | C13 | 110.3° | 109.4° |
| S11 | C12 | C20 | 107.4° | 109.5° |
| S11 | C12 | H6 | 106.0° | 109.5° |
| C24 | C23 | N22 | 112.1° | 109.5° |
| C24 | C23 | H21 | 108.8° | 109.5° |
| C24 | C23 | H22 | 108.8° | 109.5° |
| C23 | C24 | H23 | 108.2° | 109.5° |
| C23 | C24 | H24 | 108.2° | 109.5° |
| C23 | N22 | C20 | 125.5° | 120.0° |
| N22 | C23 | H21 | 108.8° | 109.5° |
| N22 | C23 | H22 | 108.8° | 109.5° |
| C23 | N22 | H39 | 117.2° | 120.0° |
| N22 | C20 | C12 | 121.7° | 119.9° |
| N22 | C20 | O21 | 117.7° | 120.0° |
| C20 | N22 | H39 | 117.3° | 120.0° |
| C12 | C13 | C14 | 116.8° | 109.5° |
| C13 | C12 | C20 | 113.6° | 109.5° |
| C12 | C13 | H1 | 107.6° | 109.5° |
| C12 | C13 | H2 | 107.6° | 109.4° |
| C13 | C12 | H6 | 109.6° | 109.5° |
| C13 | C14 | C15 | 122.9° | 120.0° |
| C13 | C14 | C19 | 121.0° | 120.0° |
| C14 | C13 | H1 | 107.6° | 109.5° |
| C14 | C13 | H2 | 107.6° | 109.5° |
| C12 | C20 | O21 | 120.6° | 120.0° |
| C20 | C12 | H6 | 109.8° | 109.5° |
| C14 | C15 | C16 | 121.7° | 120.0° |
| C15 | C14 | C19 | 116.1° | 120.0° |
| C14 | C15 | H17 | 119.2° | 120.0° |
| C15 | C16 | C17 | 120.8° | 120.0° |
| C16 | C15 | H17 | 119.2° | 120.0° |
| C15 | C16 | H18 | 119.6° | 120.0° |
| C14 | C19 | C18 | 122.7° | 120.0° |
| C14 | C19 | H20 | 118.7° | 120.0° |
| C16 | C17 | C18 | 118.3° | 120.0° |
| C16 | C17 | H3 | 120.9° | 120.0° |
| C17 | C16 | H18 | 119.6° | 120.0° |
| C19 | C18 | C17 | 120.4° | 120.0° |
| C19 | C18 | H19 | 119.8° | 120.0° |
| C18 | C19 | H20 | 118.7° | 120.0° |
| C18 | C17 | H3 | 120.8° | 119.9° |
| C17 | C18 | H19 | 119.8° | 120.1° |
| H1 | C13 | H2 | 109.5° | 109.4° |
| H4 | C10 | H5 | 109.5° | 109.4° |
| H7 | C03 | H8 | 109.5° | 109.5° |
| H7 | C03 | H9 | 109.5° | 109.5° |
| H8 | C03 | H9 | 109.5° | 109.5° |
| H10 | C04 | H11 | 109.5° | 109.5° |
| H10 | C04 | H12 | 109.4° | 109.5° |
| H11 | C04 | H12 | 109.5° | 109.5° |
| H14 | C01 | H15 | 109.5° | 109.5° |
| H14 | C01 | H16 | 109.5° | 109.4° |
| H15 | C01 | H16 | 109.5° | 109.5° |
| H21 | C23 | H22 | 109.5° | 109.4° |
| H23 | C24 | H24 | 109.4° | 109.5° |
| H25 | C25 | H26 | 109.4° | 109.4° |
| H31 | C32 | H32 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C04 | C03 | 115.5° | 120.0° |
| C01 | C02 | C04 | O05 | 124.9° | 120.0° |
| C01 | C02 | C03 | O05 | 124.0° | 120.0° |
| C01 | C02 | O05 | C06 | 145.7° | 180.0° |
| C01 | C02 | C03 | H7 | 180.0° | 60.0° |
| C01 | C02 | C03 | H8 | 60.0° | 60.0° |
| C01 | C02 | C03 | H9 | 60.0° | 180.0° |
| C01 | C02 | C04 | H10 | 180.0° | 60.1° |
| C01 | C02 | C04 | H11 | 60.0° | 60.0° |
| C01 | C02 | C04 | H12 | 60.0° | 180.0° |
| C02 | C01 | H14 | H15 | 120.0° | 120.0° |
| C02 | C01 | H14 | H16 | 120.0° | 120.0° |
| C02 | C01 | H15 | H16 | 120.0° | 120.0° |
| C04 | C02 | C03 | O05 | 121.0° | 120.0° |
| C04 | C02 | O05 | C06 | 25.7° | 60.0° |
| C04 | C02 | C03 | H7 | 65.0° | 180.0° |
| C04 | C02 | C03 | H8 | 55.0° | 60.0° |
| C04 | C02 | C03 | H9 | 175.0° | 60.0° |
| C02 | C04 | H10 | H11 | 120.0° | 120.0° |
| C02 | C04 | H10 | H12 | 120.0° | 119.9° |
| C02 | C04 | H11 | H12 | 120.0° | 120.0° |
| C04 | C02 | C01 | H14 | 180.0° | 180.0° |
| C04 | C02 | C01 | H15 | 60.0° | 60.0° |
| C04 | C02 | C01 | H16 | 60.0° | 60.0° |
| C03 | C02 | O05 | C06 | 95.1° | 60.0° |
| C02 | C03 | H7 | H8 | 120.0° | 120.0° |
| C02 | C03 | H7 | H9 | 120.0° | 120.0° |
| C02 | C03 | H8 | H9 | 120.0° | 120.0° |
| C03 | C02 | C04 | H10 | 64.5° | 59.9° |
| C03 | C02 | C04 | H11 | 175.5° | 180.0° |
| C03 | C02 | C04 | H12 | 55.5° | 60.0° |
| C03 | C02 | C01 | H14 | 62.2° | 60.0° |
| C03 | C02 | C01 | H15 | 57.8° | 180.0° |
| C03 | C02 | C01 | H16 | 177.7° | 60.0° |
| C02 | O05 | C06 | O07 | 101.8° | 0.0° |
| C02 | O05 | C06 | N08 | 67.3° | 180.0° |
| O05 | C02 | C03 | H7 | 56.0° | 60.0° |
| O05 | C02 | C03 | H8 | 176.0° | 180.0° |
| O05 | C02 | C03 | H9 | 64.0° | 60.0° |
| O05 | C02 | C04 | H10 | 55.1° | 180.0° |
| O05 | C02 | C04 | H11 | 64.9° | 60.0° |
| O05 | C02 | C04 | H12 | 175.1° | 60.1° |
| O05 | C02 | C01 | H14 | 57.6° | 60.0° |
| O05 | C02 | C01 | H15 | 177.6° | 60.0° |
| O05 | C02 | C01 | H16 | 62.4° | 180.0° |
| C36 | C37 | C38 | H36 | 180.0° | 179.8° |
| C37 | C36 | C35 | H35 | 180.0° | 180.0° |
| C36 | C37 | C38 | C33 | 0.1° | 0.6° |
| C37 | C36 | C35 | C34 | 0.0° | 0.0° |
| C37 | C36 | C35 | H34 | 180.0° | 180.0° |
| C36 | C37 | C38 | H37 | 179.9° | 180.0° |
| C38 | C37 | C36 | C35 | 0.1° | 0.3° |
| C37 | C38 | C33 | H37 | 180.0° | 179.4° |
| C37 | C38 | C33 | C34 | 0.1° | 0.6° |
| C37 | C38 | C33 | C32 | 180.0° | 179.7° |
| C38 | C37 | C36 | H35 | 179.9° | 179.7° |
| C36 | C35 | C34 | H34 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 0.0° | 0.0° |
| C36 | C35 | C34 | H33 | 180.0° | 179.9° |
| C35 | C36 | C37 | H36 | 179.9° | 179.9° |
| C30 | C29 | N28 | H28 | 180.0° | 179.7° |
| C29 | C30 | C31 | H29 | 180.0° | 179.7° |
| C30 | C29 | N28 | C27 | 0.1° | 0.2° |
| C29 | C30 | C31 | C26 | 0.0° | 0.1° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| N28 | C29 | C30 | C31 | 0.0° | 0.3° |
| C29 | N28 | C27 | C26 | 0.1° | 0.1° |
| C29 | N28 | C27 | H27 | 179.9° | 180.0° |
| N28 | C29 | C30 | H29 | 180.0° | 180.0° |
| O05 | C06 | O07 | N08 | 168.8° | 180.0° |
| O05 | C06 | N08 | C09 | 147.9° | 175.0° |
| O05 | C06 | N08 | H38 | 32.1° | 4.8° |
| C30 | C31 | C26 | H30 | 180.0° | 179.9° |
| C30 | C31 | C26 | C27 | 0.0° | 0.2° |
| C30 | C31 | C26 | C25 | 179.9° | 180.0° |
| C31 | C30 | C29 | H28 | 180.0° | 180.0° |
| C38 | C33 | C34 | C35 | 0.0° | 0.3° |
| C38 | C33 | C34 | C32 | 179.9° | 179.8° |
| C38 | C33 | C32 | C09 | 51.1° | 90.3° |
| C38 | C33 | C32 | H31 | 172.1° | 149.7° |
| C38 | C33 | C32 | H32 | 69.9° | 29.8° |
| C38 | C33 | C34 | H33 | 179.9° | 179.8° |
| C33 | C38 | C37 | H36 | 179.9° | 179.7° |
| N28 | C27 | C26 | C31 | 0.1° | 0.3° |
| N28 | C27 | C26 | H27 | 180.0° | 179.9° |
| N28 | C27 | C26 | C25 | 180.0° | 180.0° |
| C27 | N28 | C29 | H28 | 179.9° | 180.0° |
| C35 | C34 | C33 | H33 | 180.0° | 179.9° |
| C35 | C34 | C33 | C32 | 180.0° | 179.9° |
| C34 | C35 | C36 | H35 | 179.9° | 180.0° |
| O07 | C06 | N08 | C09 | 20.6° | 5.0° |
| O07 | C06 | N08 | H38 | 159.4° | 175.1° |
| C06 | N08 | C09 | H38 | 180.0° | 179.8° |
| C06 | N08 | C09 | C32 | 153.3° | 63.1° |
| C06 | N08 | C09 | C10 | 84.4° | 56.9° |
| C06 | N08 | C09 | H13 | 32.9° | 177.0° |
| C31 | C26 | C27 | C25 | 179.9° | 179.7° |
| C31 | C26 | C25 | C24 | 9.6° | 90.2° |
| C31 | C26 | C25 | H25 | 130.4° | 149.7° |
| C31 | C26 | C25 | H26 | 111.3° | 29.7° |
| C31 | C26 | C27 | H27 | 180.0° | 179.8° |
| C26 | C31 | C30 | H29 | 180.0° | 179.7° |
| C34 | C33 | C32 | C09 | 129.0° | 90.0° |
| C34 | C33 | C32 | H31 | 8.0° | 30.0° |
| C34 | C33 | C32 | H32 | 110.1° | 150.0° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C34 | C33 | C38 | H37 | 179.9° | 180.0° |
| C33 | C32 | C09 | N08 | 103.3° | 65.0° |
| C33 | C32 | C09 | H31 | 121.0° | 120.0° |
| C33 | C32 | C09 | H32 | 121.0° | 120.0° |
| C33 | C32 | C09 | C10 | 135.7° | 175.0° |
| C33 | C32 | C09 | H13 | 17.7° | 55.0° |
| C33 | C32 | H31 | H32 | 117.0° | 120.0° |
| C32 | C33 | C34 | H33 | 0.0° | 0.0° |
| C32 | C33 | C38 | H37 | 0.0° | 0.3° |
| C27 | C26 | C25 | C24 | 170.5° | 90.0° |
| C27 | C26 | C25 | H25 | 49.7° | 30.0° |
| C27 | C26 | C25 | H26 | 68.6° | 150.0° |
| C27 | C26 | C31 | H30 | 180.0° | 179.7° |
| N08 | C09 | C32 | C10 | 121.0° | 120.0° |
| N08 | C09 | C32 | H13 | 121.0° | 120.0° |
| N08 | C09 | C10 | H13 | 117.9° | 120.1° |
| N08 | C09 | C10 | S11 | 110.1° | 61.5° |
| N08 | C09 | C10 | H4 | 129.3° | 178.5° |
| N08 | C09 | C10 | H5 | 10.5° | 58.5° |
| N08 | C09 | C32 | H31 | 135.8° | 55.0° |
| N08 | C09 | C32 | H32 | 17.7° | 175.0° |
| C26 | C25 | C24 | H25 | 120.9° | 120.0° |
| C26 | C25 | C24 | H26 | 120.9° | 120.0° |
| C26 | C25 | C24 | C23 | 104.0° | 180.0° |
| C26 | C25 | C24 | H23 | 16.8° | 60.0° |
| C26 | C25 | C24 | H24 | 135.3° | 60.0° |
| C26 | C25 | H25 | H26 | 117.3° | 120.0° |
| C25 | C26 | C27 | H27 | 0.0° | 0.1° |
| C25 | C26 | C31 | H30 | 0.1° | 0.1° |
| C32 | C09 | C10 | H13 | 118.0° | 119.9° |
| C32 | C09 | C10 | S11 | 125.8° | 178.5° |
| C32 | C09 | C10 | H4 | 5.2° | 58.5° |
| C32 | C09 | C10 | H5 | 113.6° | 61.5° |
| C09 | C32 | H31 | H32 | 117.0° | 120.0° |
| C32 | C09 | N08 | H38 | 26.7° | 117.1° |
| C09 | C10 | S11 | H4 | 120.6° | 120.0° |
| C09 | C10 | S11 | H5 | 120.6° | 120.0° |
| C09 | C10 | S11 | C12 | 120.1° | 174.9° |
| C09 | C10 | H4 | H5 | 118.2° | 120.1° |
| C10 | C09 | C32 | H31 | 14.7° | 65.0° |
| C10 | C09 | C32 | H32 | 103.3° | 55.0° |
| C10 | C09 | N08 | H38 | 95.6° | 122.9° |
| C25 | C24 | C23 | H23 | 120.8° | 120.0° |
| C25 | C24 | C23 | H24 | 120.8° | 120.0° |
| C25 | C24 | C23 | N22 | 163.0° | 179.9° |
| C25 | C24 | C23 | H21 | 76.6° | 60.0° |
| C25 | C24 | C23 | H22 | 42.6° | 59.9° |
| C25 | C24 | H23 | H24 | 117.8° | 120.0° |
| C24 | C25 | H25 | H26 | 117.3° | 120.0° |
| C10 | S11 | C12 | C13 | 163.7° | 173.2° |
| C10 | S11 | C12 | C20 | 39.5° | 66.8° |
| S11 | C10 | H4 | H5 | 118.2° | 120.0° |
| C10 | S11 | C12 | H6 | 77.8° | 53.2° |
| S11 | C10 | C09 | H13 | 7.8° | 58.6° |
| S11 | C12 | C20 | N22 | 98.8° | 160.0° |
| S11 | C12 | C13 | C20 | 120.6° | 120.0° |
| S11 | C12 | C13 | H6 | 116.3° | 120.0° |
| S11 | C12 | C13 | C14 | 117.8° | 65.9° |
| S11 | C12 | C20 | H6 | 114.8° | 120.0° |
| S11 | C12 | C20 | O21 | 81.7° | 19.9° |
| S11 | C12 | C13 | H1 | 3.3° | 54.2° |
| S11 | C12 | C13 | H2 | 121.2° | 174.1° |
| C12 | S11 | C10 | H4 | 0.4° | 65.1° |
| C12 | S11 | C10 | H5 | 119.3° | 54.9° |
| C24 | C23 | N22 | H21 | 120.4° | 120.0° |
| C24 | C23 | N22 | H22 | 120.4° | 120.0° |
| C24 | C23 | N22 | C20 | 153.4° | 180.0° |
| C24 | C23 | H21 | H22 | 118.8° | 120.0° |
| C23 | C24 | H23 | H24 | 117.7° | 120.0° |
| C23 | C24 | C25 | H25 | 135.1° | 60.0° |
| C23 | C24 | C25 | H26 | 16.9° | 60.0° |
| C24 | C23 | N22 | H39 | 26.6° | 0.0° |
| C23 | N22 | C20 | H39 | 180.0° | 179.9° |
| C23 | N22 | C20 | C12 | 179.8° | 180.0° |
| C23 | N22 | C20 | O21 | 0.3° | 0.0° |
| N22 | C23 | H21 | H22 | 118.8° | 120.0° |
| N22 | C23 | C24 | H23 | 42.3° | 60.0° |
| N22 | C23 | C24 | H24 | 76.2° | 60.0° |
| N22 | C20 | C12 | C13 | 23.4° | 80.0° |
| N22 | C20 | C12 | O21 | 179.5° | 180.0° |
| N22 | C20 | C12 | H6 | 146.4° | 40.0° |
| C20 | N22 | C23 | H21 | 33.0° | 60.0° |
| C20 | N22 | C23 | H22 | 86.2° | 60.0° |
| C12 | C13 | C14 | H1 | 121.0° | 120.0° |
| C12 | C13 | C14 | H2 | 121.1° | 120.0° |
| C13 | C12 | C20 | H6 | 123.0° | 120.0° |
| C13 | C12 | C20 | O21 | 156.1° | 100.0° |
| C12 | C13 | C14 | C15 | 149.9° | 85.0° |
| C12 | C13 | C14 | C19 | 30.0° | 95.6° |
| C12 | C13 | H1 | H2 | 116.7° | 119.9° |
| C14 | C13 | C12 | C20 | 121.7° | 174.2° |
| C13 | C14 | C15 | C19 | 179.9° | 179.5° |
| C13 | C14 | C15 | C16 | 179.9° | 179.8° |
| C13 | C14 | C19 | C18 | 179.9° | 180.0° |
| C14 | C13 | H1 | H2 | 116.6° | 120.0° |
| C14 | C13 | C12 | H6 | 1.5° | 54.1° |
| C13 | C14 | C15 | H17 | 0.1° | 0.0° |
| C13 | C14 | C19 | H20 | 0.1° | 0.6° |
| C20 | C12 | C13 | H1 | 117.3° | 65.8° |
| C20 | C12 | C13 | H2 | 0.6° | 54.2° |
| C12 | C20 | N22 | H39 | 0.2° | 0.0° |
| O21 | C20 | C12 | H6 | 33.1° | 140.0° |
| O21 | C20 | N22 | H39 | 179.7° | 179.9° |
| C14 | C15 | C16 | H17 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 0.1° | 0.5° |
| C15 | C14 | C19 | C18 | 0.0° | 0.5° |
| C15 | C14 | C13 | H1 | 28.9° | 155.0° |
| C15 | C14 | C13 | H2 | 89.0° | 35.0° |
| C14 | C15 | C16 | H18 | 180.0° | 179.5° |
| C15 | C14 | C19 | H20 | 180.0° | 180.0° |
| C16 | C15 | C14 | C19 | 0.0° | 0.8° |
| C15 | C16 | C17 | H18 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.1° | 0.1° |
| C15 | C16 | C17 | H3 | 179.9° | 179.8° |
| C14 | C19 | C18 | H20 | 180.0° | 179.4° |
| C14 | C19 | C18 | C17 | 0.0° | 0.1° |
| C19 | C14 | C13 | H1 | 151.1° | 24.5° |
| C19 | C14 | C13 | H2 | 91.0° | 144.5° |
| C19 | C14 | C15 | H17 | 180.0° | 179.4° |
| C14 | C19 | C18 | H19 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.4° |
| C16 | C17 | C18 | H3 | 180.0° | 179.6° |
| C17 | C16 | C15 | H17 | 180.0° | 179.8° |
| C16 | C17 | C18 | H19 | 179.9° | 179.7° |
| C19 | C18 | C17 | H19 | 180.0° | 179.9° |
| C19 | C18 | C17 | H3 | 179.9° | 180.0° |
| C18 | C17 | C16 | H18 | 179.9° | 179.9° |
| C17 | C18 | C19 | H20 | 180.0° | 179.4° |
| H1 | C13 | C12 | H6 | 119.6° | 174.2° |
| H2 | C13 | C12 | H6 | 122.5° | 65.9° |
| H3 | C17 | C16 | H18 | 0.1° | 0.3° |
| H3 | C17 | C18 | H19 | 0.1° | 0.1° |
| H4 | C10 | C09 | H13 | 112.8° | 61.4° |
| H5 | C10 | C09 | H13 | 128.4° | 178.6° |
| H7 | C03 | H8 | H9 | 120.0° | 120.0° |
| H10 | C04 | H11 | H12 | 120.0° | 120.0° |
| H13 | C09 | C32 | H31 | 103.3° | 175.0° |
| H13 | C09 | C32 | H32 | 138.6° | 65.0° |
| H13 | C09 | N08 | H38 | 147.1° | 2.9° |
| H14 | C01 | H15 | H16 | 120.0° | 120.0° |
| H17 | C15 | C16 | H18 | 0.0° | 0.3° |
| H19 | C18 | C19 | H20 | 0.0° | 0.6° |
| H21 | C23 | C24 | H23 | 162.7° | 60.0° |
| H21 | C23 | C24 | H24 | 44.2° | 180.0° |
| H21 | C23 | N22 | H39 | 147.0° | 120.0° |
| H22 | C23 | C24 | H23 | 78.1° | 179.9° |
| H22 | C23 | C24 | H24 | 163.4° | 60.0° |
| H22 | C23 | N22 | H39 | 93.8° | 120.1° |
| H23 | C24 | C25 | H25 | 104.1° | 180.0° |
| H23 | C24 | C25 | H26 | 137.6° | 60.0° |
| H24 | C24 | C25 | H25 | 14.4° | 60.0° |
| H24 | C24 | C25 | H26 | 103.9° | 180.0° |
| H28 | C29 | C30 | H29 | 0.0° | 0.3° |
| H29 | C30 | C31 | H30 | 0.0° | 0.3° |
| H33 | C34 | C35 | H34 | 0.0° | 0.1° |
| H34 | C35 | C36 | H35 | 0.1° | 0.0° |
| H35 | C36 | C37 | H36 | 0.1° | 0.0° |
| H36 | C37 | C38 | H37 | 0.1° | 0.3° |
