MWW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N30 | C33 | sing | 1.47Å | 1.47Å | |
| C33 | C31 | sing | 1.53Å | 1.55Å | |
| C31 | C29 | sing | 1.53Å | 1.55Å | |
| C29 | C27 | sing | 1.53Å | 1.55Å | |
| C27 | C25 | sing | 1.51Å | 1.55Å | |
| N28 | C25 | sing | 1.34Å | 1.32Å | Aromatic |
| N28 | N24 | doub | 1.29Å | 1.28Å | Aromatic |
| C25 | C23 | doub | 1.35Å | 1.31Å | Aromatic |
| N24 | N26 | sing | 1.29Å | 1.39Å | Aromatic |
| C23 | N26 | sing | 1.36Å | 1.43Å | Aromatic |
| N26 | C17 | sing | 1.40Å | 1.41Å | |
| C17 | C06 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C09 | sing | 1.39Å | 1.36Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.44Å | Aromatic |
| C09 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | C19 | doub | 1.40Å | 1.44Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | O21 | sing | 1.36Å | 1.39Å | |
| C19 | C20 | sing | 1.48Å | 1.49Å | |
| C10 | O21 | sing | 1.43Å | 1.45Å | |
| C10 | C13 | sing | 1.53Å | 1.59Å | |
| C20 | N14 | doub | 1.30Å | 1.32Å | Aromatic |
| C20 | S22 | sing | 1.76Å | 1.81Å | Aromatic |
| C13 | C34 | sing | 1.53Å | 1.55Å | |
| N14 | C16 | sing | 1.31Å | 1.42Å | Aromatic |
| C38 | C34 | sing | 1.53Å | 1.55Å | |
| C38 | C37 | sing | 1.53Å | 1.53Å | |
| C34 | C35 | sing | 1.53Å | 1.54Å | |
| S22 | C08 | sing | 1.76Å | 1.71Å | Aromatic |
| C37 | N32 | sing | 1.47Å | 1.48Å | |
| C02 | C04 | doub | 1.38Å | 1.41Å | Aromatic |
| C02 | C01 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C15 | sing | 1.38Å | 1.44Å | Aromatic |
| C16 | C12 | sing | 1.51Å | 1.50Å | |
| C16 | C08 | doub | 1.34Å | 1.37Å | Aromatic |
| C01 | C03 | doub | 1.38Å | 1.41Å | Aromatic |
| C15 | C11 | sing | 1.51Å | 1.63Å | |
| C15 | C05 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.62Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C03 | C05 | sing | 1.38Å | 1.42Å | Aromatic |
| N32 | C36 | sing | 1.47Å | 1.47Å | |
| C27 | H1 | sing | 1.09Å | 1.10Å | |
| C27 | H2 | sing | 1.09Å | 1.10Å | |
| C12 | H3 | sing | 1.09Å | 1.10Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.08Å | 1.08Å | |
| C02 | H10 | sing | 1.08Å | 1.08Å | |
| C03 | H11 | sing | 1.08Å | 1.08Å | |
| C04 | H12 | sing | 1.08Å | 1.08Å | |
| C05 | H13 | sing | 1.08Å | 1.08Å | |
| C06 | H14 | sing | 1.08Å | 1.08Å | |
| C07 | H15 | sing | 1.08Å | 1.08Å | |
| C08 | H16 | sing | 1.08Å | 1.08Å | |
| C09 | H17 | sing | 1.08Å | 1.08Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C29 | H20 | sing | 1.09Å | 1.10Å | |
| C29 | H21 | sing | 1.09Å | 1.10Å | |
| N30 | H22 | sing | 1.01Å | 1.00Å | |
| N30 | H23 | sing | 1.01Å | 1.00Å | |
| C31 | H25 | sing | 1.09Å | 1.10Å | |
| C31 | H26 | sing | 1.09Å | 1.10Å | |
| C33 | H27 | sing | 1.09Å | 1.10Å | |
| C33 | H28 | sing | 1.09Å | 1.10Å | |
| C34 | H29 | sing | 1.09Å | 1.10Å | |
| C35 | H30 | sing | 1.09Å | 1.10Å | |
| C35 | H31 | sing | 1.09Å | 1.10Å | |
| C36 | H32 | sing | 1.09Å | 1.10Å | |
| C36 | H33 | sing | 1.09Å | 1.10Å | |
| C38 | H34 | sing | 1.09Å | 1.10Å | |
| C38 | H35 | sing | 1.09Å | 1.10Å | |
| C37 | H36 | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.08Å | 1.08Å | |
| N32 | H39 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N30 | C33 | C31 | 112.4° | 109.4° |
| C33 | N30 | H22 | 109.5° | 111.0° |
| C33 | N30 | H23 | 109.5° | 111.0° |
| N30 | C33 | H27 | 108.8° | 109.5° |
| N30 | C33 | H28 | 108.7° | 109.4° |
| C33 | C31 | C29 | 111.1° | 109.4° |
| C33 | C31 | H25 | 109.1° | 109.5° |
| C33 | C31 | H26 | 109.0° | 109.4° |
| C31 | C33 | H27 | 108.7° | 109.4° |
| C31 | C33 | H28 | 108.7° | 109.5° |
| C31 | C29 | C27 | 111.3° | 109.5° |
| C31 | C29 | H20 | 109.0° | 109.4° |
| C31 | C29 | H21 | 109.0° | 109.5° |
| C29 | C31 | H25 | 109.0° | 109.5° |
| C29 | C31 | H26 | 109.1° | 109.5° |
| C29 | C27 | C25 | 109.8° | 109.5° |
| C29 | C27 | H1 | 109.4° | 109.5° |
| C29 | C27 | H2 | 109.4° | 109.5° |
| C27 | C29 | H20 | 109.0° | 109.5° |
| C27 | C29 | H21 | 109.0° | 109.5° |
| C27 | C25 | N28 | 125.0° | 126.8° |
| C27 | C25 | C23 | 124.1° | 126.8° |
| C25 | C27 | H1 | 109.4° | 109.5° |
| C25 | C27 | H2 | 109.4° | 109.5° |
| C25 | N28 | N24 | 106.9° | 109.1° |
| N28 | C25 | C23 | 110.9° | 106.5° |
| N28 | N24 | N26 | 113.4° | 110.3° |
| C25 | C23 | N26 | 108.2° | 106.1° |
| C25 | C23 | H38 | 125.9° | 126.9° |
| N24 | N26 | C23 | 100.5° | 108.1° |
| N24 | N26 | C17 | 142.2° | 126.0° |
| C23 | N26 | C17 | 117.2° | 125.9° |
| N26 | C23 | H38 | 125.9° | 127.0° |
| N26 | C17 | C06 | 120.2° | 119.9° |
| N26 | C17 | C09 | 126.7° | 119.9° |
| C06 | C17 | C09 | 113.1° | 120.1° |
| C17 | C06 | C07 | 121.1° | 120.2° |
| C17 | C06 | H14 | 119.4° | 119.9° |
| C17 | C09 | C18 | 127.7° | 120.1° |
| C17 | C09 | H17 | 116.1° | 119.9° |
| C06 | C07 | C19 | 124.5° | 120.0° |
| C07 | C06 | H14 | 119.5° | 119.9° |
| C06 | C07 | H15 | 117.7° | 120.0° |
| C09 | C18 | C19 | 122.0° | 119.8° |
| C09 | C18 | O21 | 117.9° | 120.1° |
| C18 | C09 | H17 | 116.2° | 120.0° |
| C07 | C19 | C18 | 111.5° | 119.8° |
| C07 | C19 | C20 | 121.5° | 120.1° |
| C19 | C07 | H15 | 117.7° | 120.0° |
| C19 | C18 | O21 | 120.0° | 120.1° |
| C18 | C19 | C20 | 127.0° | 120.1° |
| C18 | O21 | C10 | 124.4° | 117.0° |
| C19 | C20 | N14 | 133.1° | 125.5° |
| C19 | C20 | S22 | 122.4° | 125.5° |
| O21 | C10 | C13 | 113.2° | 109.5° |
| O21 | C10 | H18 | 108.5° | 109.4° |
| O21 | C10 | H19 | 108.5° | 109.5° |
| C10 | C13 | C34 | 113.5° | 109.5° |
| C10 | C13 | H5 | 108.4° | 109.5° |
| C10 | C13 | H6 | 108.5° | 109.4° |
| C13 | C10 | H18 | 108.5° | 109.5° |
| C13 | C10 | H19 | 108.5° | 109.5° |
| N14 | C20 | S22 | 104.5° | 109.0° |
| C20 | N14 | C16 | 118.0° | 117.0° |
| C20 | S22 | C08 | 95.8° | 89.9° |
| C13 | C34 | C38 | 112.4° | 109.5° |
| C13 | C34 | C35 | 108.4° | 109.6° |
| C34 | C13 | H5 | 108.5° | 109.5° |
| C34 | C13 | H6 | 108.4° | 109.5° |
| C13 | C34 | H29 | 108.1° | 109.5° |
| N14 | C16 | C12 | 121.6° | 122.1° |
| N14 | C16 | C08 | 114.6° | 115.9° |
| C34 | C38 | C37 | 114.3° | 109.3° |
| C38 | C34 | C35 | 111.4° | 109.1° |
| C38 | C34 | H29 | 108.1° | 109.6° |
| C34 | C38 | H34 | 108.2° | 109.5° |
| C34 | C38 | H35 | 108.3° | 109.5° |
| C38 | C37 | N32 | 111.1° | 109.5° |
| C37 | C38 | H34 | 108.3° | 109.5° |
| C37 | C38 | H35 | 108.3° | 109.5° |
| C38 | C37 | H36 | 109.1° | 109.5° |
| C38 | C37 | H37 | 109.1° | 109.5° |
| C34 | C35 | C36 | 110.0° | 109.3° |
| C35 | C34 | H29 | 108.2° | 109.5° |
| C34 | C35 | H30 | 109.3° | 109.5° |
| C34 | C35 | H31 | 109.3° | 109.5° |
| S22 | C08 | C16 | 107.1° | 108.2° |
| S22 | C08 | H16 | 126.4° | 125.9° |
| C37 | N32 | C36 | 114.4° | 111.2° |
| N32 | C37 | H36 | 109.1° | 109.5° |
| N32 | C37 | H37 | 109.1° | 109.4° |
| C37 | N32 | H39 | 108.2° | 111.0° |
| C04 | C02 | C01 | 120.0° | 120.0° |
| C02 | C04 | C15 | 122.8° | 120.0° |
| C04 | C02 | H10 | 120.0° | 120.0° |
| C02 | C04 | H12 | 118.6° | 120.0° |
| C02 | C01 | C03 | 118.7° | 120.0° |
| C02 | C01 | H9 | 120.7° | 120.1° |
| C01 | C02 | H10 | 120.0° | 120.0° |
| C04 | C15 | C11 | 123.2° | 120.0° |
| C04 | C15 | C05 | 115.4° | 120.0° |
| C15 | C04 | H12 | 118.6° | 120.0° |
| C12 | C16 | C08 | 123.8° | 122.0° |
| C16 | C12 | C11 | 109.5° | 109.4° |
| C16 | C12 | H3 | 109.5° | 109.5° |
| C16 | C12 | H4 | 109.5° | 109.5° |
| C16 | C08 | H16 | 126.4° | 125.9° |
| C01 | C03 | C05 | 121.2° | 120.0° |
| C03 | C01 | H9 | 120.7° | 120.0° |
| C01 | C03 | H11 | 119.4° | 120.0° |
| C11 | C15 | C05 | 121.3° | 120.0° |
| C15 | C11 | C12 | 119.0° | 109.5° |
| C15 | C11 | H7 | 107.1° | 109.5° |
| C15 | C11 | H8 | 107.1° | 109.5° |
| C15 | C05 | C03 | 121.9° | 120.0° |
| C15 | C05 | H13 | 119.0° | 119.9° |
| C11 | C12 | H3 | 109.5° | 109.5° |
| C11 | C12 | H4 | 109.5° | 109.4° |
| C12 | C11 | H7 | 107.0° | 109.5° |
| C12 | C11 | H8 | 107.0° | 109.5° |
| C35 | C36 | N32 | 107.9° | 109.5° |
| C36 | C35 | H30 | 109.3° | 109.5° |
| C36 | C35 | H31 | 109.3° | 109.5° |
| C35 | C36 | H32 | 109.8° | 109.4° |
| C35 | C36 | H33 | 109.9° | 109.4° |
| C05 | C03 | H11 | 119.4° | 120.0° |
| C03 | C05 | H13 | 119.1° | 120.0° |
| N32 | C36 | H32 | 109.9° | 109.5° |
| N32 | C36 | H33 | 109.8° | 109.5° |
| C36 | N32 | H39 | 108.2° | 111.0° |
| H1 | C27 | H2 | 109.5° | 109.4° |
| H3 | C12 | H4 | 109.4° | 109.5° |
| H5 | C13 | H6 | 109.4° | 109.4° |
| H7 | C11 | H8 | 109.4° | 109.4° |
| H18 | C10 | H19 | 109.5° | 109.4° |
| H20 | C29 | H21 | 109.5° | 109.5° |
| H22 | N30 | H23 | 109.5° | 111.0° |
| H25 | C31 | H26 | 109.5° | 109.5° |
| H27 | C33 | H28 | 109.5° | 109.5° |
| H30 | C35 | H31 | 109.5° | 109.5° |
| H32 | C36 | H33 | 109.5° | 109.4° |
| H34 | C38 | H35 | 109.4° | 109.5° |
| H36 | C37 | H37 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N30 | C33 | C31 | H27 | 120.5° | 120.0° |
| N30 | C33 | C31 | H28 | 120.4° | 119.9° |
| N30 | C33 | C31 | C29 | 69.8° | 180.0° |
| C33 | N30 | H22 | H23 | 120.0° | 124.0° |
| N30 | C33 | C31 | H25 | 169.9° | 60.0° |
| N30 | C33 | C31 | H26 | 50.4° | 60.0° |
| N30 | C33 | H27 | H28 | 118.7° | 120.0° |
| C33 | C31 | C29 | H25 | 120.2° | 120.0° |
| C33 | C31 | C29 | H26 | 120.2° | 120.0° |
| C33 | C31 | C29 | C27 | 173.4° | 180.0° |
| C33 | C31 | C29 | H20 | 66.3° | 60.0° |
| C33 | C31 | C29 | H21 | 53.2° | 60.0° |
| C31 | C33 | N30 | H22 | 180.0° | 56.1° |
| C31 | C33 | N30 | H23 | 60.0° | 180.0° |
| C33 | C31 | H25 | H26 | 119.3° | 120.0° |
| C31 | C33 | H27 | H28 | 118.7° | 120.0° |
| C31 | C29 | C27 | H20 | 120.3° | 120.0° |
| C31 | C29 | C27 | H21 | 120.3° | 120.0° |
| C31 | C29 | C27 | C25 | 173.6° | 180.0° |
| C31 | C29 | C27 | H1 | 53.5° | 60.0° |
| C31 | C29 | C27 | H2 | 66.3° | 60.0° |
| C31 | C29 | H20 | H21 | 119.2° | 120.0° |
| C29 | C31 | H25 | H26 | 119.2° | 120.0° |
| C29 | C31 | C33 | H27 | 50.6° | 60.0° |
| C29 | C31 | C33 | H28 | 169.7° | 60.0° |
| C29 | C27 | C25 | H1 | 120.1° | 120.0° |
| C29 | C27 | C25 | H2 | 120.1° | 120.0° |
| C29 | C27 | C25 | N28 | 75.7° | 54.7° |
| C29 | C27 | C25 | C23 | 104.2° | 125.0° |
| C29 | C27 | H1 | H2 | 119.8° | 120.0° |
| C27 | C29 | H20 | H21 | 119.1° | 120.0° |
| C27 | C29 | C31 | H25 | 53.2° | 60.0° |
| C27 | C29 | C31 | H26 | 66.3° | 60.0° |
| C27 | C25 | N28 | C23 | 179.9° | 179.8° |
| C27 | C25 | N28 | N24 | 179.8° | 180.0° |
| C27 | C25 | C23 | N26 | 179.8° | 180.0° |
| C25 | C27 | H1 | H2 | 119.8° | 120.0° |
| C25 | C27 | C29 | H20 | 66.1° | 60.0° |
| C25 | C27 | C29 | H21 | 53.3° | 60.0° |
| C27 | C25 | C23 | H38 | 0.3° | 0.0° |
| C25 | N28 | N24 | N26 | 0.0° | 0.1° |
| N28 | C25 | C23 | N26 | 0.1° | 0.2° |
| N28 | C25 | C27 | H1 | 164.3° | 65.3° |
| N28 | C25 | C27 | H2 | 44.4° | 174.7° |
| N28 | C25 | C23 | H38 | 179.8° | 179.8° |
| N24 | N28 | C25 | C23 | 0.1° | 0.2° |
| N28 | N24 | N26 | C23 | 0.1° | 0.0° |
| N28 | N24 | N26 | C17 | 179.6° | 179.8° |
| C25 | C23 | N26 | N24 | 0.1° | 0.1° |
| C25 | C23 | N26 | H38 | 180.0° | 180.0° |
| C25 | C23 | N26 | C17 | 179.6° | 180.0° |
| C23 | C25 | C27 | H1 | 15.9° | 115.0° |
| C23 | C25 | C27 | H2 | 135.7° | 5.0° |
| N24 | N26 | C23 | C17 | 179.7° | 179.8° |
| N24 | N26 | C17 | C06 | 1.2° | 175.2° |
| N24 | N26 | C17 | C09 | 178.2° | 4.8° |
| N24 | N26 | C23 | H38 | 179.9° | 179.8° |
| C23 | N26 | C17 | C06 | 179.3° | 5.0° |
| C23 | N26 | C17 | C09 | 1.4° | 175.0° |
| N26 | C17 | C06 | C09 | 179.4° | 180.0° |
| N26 | C17 | C06 | C07 | 179.8° | 180.0° |
| N26 | C17 | C09 | C18 | 179.3° | 179.5° |
| N26 | C17 | C06 | H14 | 0.2° | 0.3° |
| N26 | C17 | C09 | H17 | 0.7° | 0.2° |
| C17 | N26 | C23 | H38 | 0.4° | 0.0° |
| C17 | C06 | C07 | H14 | 180.0° | 179.7° |
| C06 | C17 | C09 | C18 | 0.1° | 0.5° |
| C17 | C06 | C07 | C19 | 0.4° | 0.3° |
| C17 | C06 | C07 | H15 | 179.6° | 179.8° |
| C06 | C17 | C09 | H17 | 179.9° | 179.8° |
| C09 | C17 | C06 | C07 | 0.4° | 0.0° |
| C17 | C09 | C18 | H17 | 180.0° | 179.3° |
| C17 | C09 | C18 | C19 | 0.6° | 0.7° |
| C17 | C09 | C18 | O21 | 179.2° | 179.2° |
| C09 | C17 | C06 | H14 | 179.7° | 179.8° |
| C06 | C07 | C19 | H15 | 180.0° | 179.9° |
| C06 | C07 | C19 | C18 | 0.1° | 0.1° |
| C06 | C07 | C19 | C20 | 179.9° | 180.0° |
| C09 | C18 | C19 | C07 | 0.6° | 0.4° |
| C09 | C18 | C19 | O21 | 178.6° | 180.0° |
| C09 | C18 | C19 | C20 | 179.4° | 179.5° |
| C09 | C18 | O21 | C10 | 40.7° | 0.0° |
| C07 | C19 | C18 | C20 | 180.0° | 179.9° |
| C07 | C19 | C18 | O21 | 179.2° | 179.5° |
| C07 | C19 | C20 | N14 | 38.1° | 0.0° |
| C07 | C19 | C20 | S22 | 142.4° | 179.9° |
| C19 | C07 | C06 | H14 | 179.7° | 179.9° |
| C19 | C18 | O21 | C10 | 140.7° | 180.0° |
| C18 | C19 | C20 | N14 | 141.9° | 179.9° |
| C18 | C19 | C20 | S22 | 37.6° | 0.1° |
| C18 | C19 | C07 | H15 | 179.9° | 180.0° |
| C19 | C18 | C09 | H17 | 179.4° | 180.0° |
| O21 | C18 | C19 | C20 | 0.8° | 0.6° |
| C18 | O21 | C10 | C13 | 142.2° | 180.0° |
| O21 | C18 | C09 | H17 | 0.8° | 0.0° |
| C18 | O21 | C10 | H18 | 21.6° | 60.0° |
| C18 | O21 | C10 | H19 | 97.3° | 60.0° |
| C19 | C20 | N14 | S22 | 179.6° | 180.0° |
| C19 | C20 | N14 | C16 | 179.6° | 180.0° |
| C19 | C20 | S22 | C08 | 179.7° | 179.9° |
| C20 | C19 | C07 | H15 | 0.1° | 0.1° |
| O21 | C10 | C13 | H18 | 120.5° | 120.0° |
| O21 | C10 | C13 | H19 | 120.6° | 120.0° |
| O21 | C10 | C13 | C34 | 106.4° | 180.0° |
| O21 | C10 | C13 | H5 | 132.9° | 60.0° |
| O21 | C10 | C13 | H6 | 14.2° | 60.0° |
| O21 | C10 | H18 | H19 | 118.3° | 120.0° |
| C10 | C13 | C34 | H5 | 120.6° | 120.0° |
| C10 | C13 | C34 | H6 | 120.6° | 120.0° |
| C10 | C13 | C34 | C38 | 48.3° | 65.3° |
| C10 | C13 | C34 | C35 | 171.9° | 175.0° |
| C10 | C13 | H5 | H6 | 118.1° | 120.0° |
| C13 | C10 | H18 | H19 | 118.3° | 120.0° |
| C10 | C13 | C34 | H29 | 71.0° | 54.9° |
| N14 | C20 | S22 | C08 | 0.1° | 0.2° |
| C20 | N14 | C16 | C12 | 179.9° | 179.9° |
| C20 | N14 | C16 | C08 | 0.0° | 0.1° |
| S22 | C20 | N14 | C16 | 0.0° | 0.0° |
| C20 | S22 | C08 | C16 | 0.1° | 0.2° |
| C20 | S22 | C08 | H16 | 179.9° | 179.9° |
| C13 | C34 | C38 | C35 | 121.9° | 119.9° |
| C13 | C34 | C38 | H29 | 119.3° | 120.1° |
| C13 | C34 | C38 | C37 | 167.7° | 177.6° |
| C13 | C34 | C35 | H29 | 117.1° | 120.2° |
| C13 | C34 | C35 | C36 | 177.6° | 177.5° |
| C34 | C13 | H5 | H6 | 118.1° | 120.0° |
| C34 | C13 | C10 | H18 | 14.1° | 60.0° |
| C34 | C13 | C10 | H19 | 133.0° | 60.0° |
| C13 | C34 | C35 | H30 | 62.4° | 62.5° |
| C13 | C34 | C35 | H31 | 57.5° | 57.6° |
| C13 | C34 | C38 | H34 | 46.9° | 57.6° |
| C13 | C34 | C38 | H35 | 71.6° | 62.5° |
| N14 | C16 | C08 | S22 | 0.1° | 0.3° |
| N14 | C16 | C12 | C08 | 179.9° | 180.0° |
| N14 | C16 | C12 | C11 | 72.1° | 55.0° |
| N14 | C16 | C12 | H3 | 47.9° | 175.0° |
| N14 | C16 | C12 | H4 | 167.9° | 64.9° |
| N14 | C16 | C08 | H16 | 179.9° | 180.0° |
| C34 | C38 | C37 | H34 | 120.7° | 120.0° |
| C34 | C38 | C37 | H35 | 120.7° | 119.9° |
| C38 | C34 | C35 | H29 | 118.8° | 120.0° |
| C34 | C38 | C37 | N32 | 44.9° | 59.2° |
| C38 | C34 | C35 | C36 | 53.4° | 57.6° |
| C38 | C34 | C13 | H5 | 168.9° | 174.7° |
| C38 | C34 | C13 | H6 | 72.4° | 54.7° |
| C38 | C34 | C35 | H30 | 173.5° | 177.6° |
| C38 | C34 | C35 | H31 | 66.7° | 62.3° |
| C34 | C38 | H34 | H35 | 117.8° | 120.1° |
| C34 | C38 | C37 | H36 | 165.2° | 179.2° |
| C34 | C38 | C37 | H37 | 75.3° | 60.8° |
| C37 | C38 | C34 | C35 | 45.8° | 57.7° |
| C38 | C37 | N32 | H36 | 120.2° | 120.1° |
| C38 | C37 | N32 | H37 | 120.2° | 120.0° |
| C38 | C37 | N32 | C36 | 54.9° | 61.7° |
| C37 | C38 | C34 | H29 | 73.1° | 62.3° |
| C37 | C38 | H34 | H35 | 117.8° | 120.0° |
| C38 | C37 | H36 | H37 | 119.3° | 120.0° |
| C38 | C37 | N32 | H39 | 65.8° | 62.4° |
| C34 | C35 | C36 | H30 | 120.1° | 119.9° |
| C34 | C35 | C36 | H31 | 120.1° | 119.9° |
| C34 | C35 | C36 | N32 | 61.0° | 59.2° |
| C35 | C34 | C13 | H5 | 67.5° | 55.0° |
| C35 | C34 | C13 | H6 | 51.2° | 65.0° |
| C34 | C35 | H30 | H31 | 119.8° | 120.1° |
| C34 | C35 | C36 | H32 | 58.8° | 60.9° |
| C34 | C35 | C36 | H33 | 179.3° | 179.2° |
| C35 | C34 | C38 | H34 | 75.0° | 62.3° |
| C35 | C34 | C38 | H35 | 166.5° | 177.6° |
| S22 | C08 | C16 | C12 | 179.8° | 179.8° |
| S22 | C08 | C16 | H16 | 180.0° | 179.7° |
| C37 | N32 | C36 | C35 | 63.3° | 61.8° |
| C37 | N32 | C36 | H39 | 120.7° | 124.1° |
| C37 | N32 | C36 | H32 | 56.5° | 58.3° |
| C37 | N32 | C36 | H33 | 177.0° | 178.2° |
| N32 | C37 | C38 | H34 | 75.8° | 60.8° |
| N32 | C37 | C38 | H35 | 165.7° | 179.1° |
| N32 | C37 | H36 | H37 | 119.3° | 119.9° |
| C04 | C02 | C01 | H10 | 180.0° | 179.9° |
| C02 | C04 | C15 | H12 | 180.0° | 179.9° |
| C04 | C02 | C01 | C03 | 0.0° | 0.2° |
| C02 | C04 | C15 | C11 | 180.0° | 180.0° |
| C02 | C04 | C15 | C05 | 0.0° | 0.3° |
| C04 | C02 | C01 | H9 | 180.0° | 180.0° |
| C01 | C02 | C04 | C15 | 0.1° | 0.1° |
| C02 | C01 | C03 | H9 | 180.0° | 179.8° |
| C02 | C01 | C03 | C05 | 0.1° | 0.2° |
| C02 | C01 | C03 | H11 | 179.9° | 180.0° |
| C01 | C02 | C04 | H12 | 179.9° | 180.0° |
| C04 | C15 | C11 | C05 | 179.9° | 179.7° |
| C04 | C15 | C11 | C12 | 27.0° | 89.7° |
| C04 | C15 | C05 | C03 | 0.1° | 0.3° |
| C04 | C15 | C11 | H7 | 94.4° | 150.3° |
| C04 | C15 | C11 | H8 | 148.3° | 30.3° |
| C15 | C04 | C02 | H10 | 179.9° | 180.0° |
| C04 | C15 | C05 | H13 | 179.9° | 179.7° |
| C16 | C12 | C11 | C15 | 148.3° | 180.0° |
| C16 | C12 | C11 | H3 | 120.0° | 120.0° |
| C16 | C12 | C11 | H4 | 120.0° | 120.0° |
| C16 | C12 | H3 | H4 | 120.0° | 120.0° |
| C16 | C12 | C11 | H7 | 26.9° | 60.0° |
| C16 | C12 | C11 | H8 | 90.4° | 60.0° |
| C12 | C16 | C08 | H16 | 0.2° | 0.1° |
| C08 | C16 | C12 | C11 | 107.8° | 125.0° |
| C08 | C16 | C12 | H3 | 132.2° | 5.0° |
| C08 | C16 | C12 | H4 | 12.2° | 115.1° |
| C01 | C03 | C05 | C15 | 0.2° | 0.0° |
| C01 | C03 | C05 | H11 | 180.0° | 179.7° |
| C03 | C01 | C02 | H10 | 180.0° | 179.8° |
| C01 | C03 | C05 | H13 | 179.8° | 180.0° |
| C15 | C11 | C12 | H7 | 121.4° | 120.0° |
| C15 | C11 | C12 | H8 | 121.4° | 120.0° |
| C11 | C15 | C05 | C03 | 179.8° | 180.0° |
| C15 | C11 | C12 | H3 | 28.2° | 60.0° |
| C15 | C11 | C12 | H4 | 91.7° | 60.0° |
| C15 | C11 | H7 | H8 | 115.7° | 120.0° |
| C11 | C15 | C04 | H12 | 0.0° | 0.1° |
| C11 | C15 | C05 | H13 | 0.2° | 0.0° |
| C05 | C15 | C11 | C12 | 153.1° | 90.0° |
| C15 | C05 | C03 | H13 | 180.0° | 180.0° |
| C05 | C15 | C11 | H7 | 85.6° | 30.0° |
| C05 | C15 | C11 | H8 | 31.7° | 150.0° |
| C15 | C05 | C03 | H11 | 179.8° | 179.7° |
| C05 | C15 | C04 | H12 | 180.0° | 179.8° |
| C11 | C12 | H3 | H4 | 120.0° | 120.0° |
| C12 | C11 | H7 | H8 | 115.7° | 120.0° |
| C35 | C36 | N32 | H32 | 119.7° | 120.0° |
| C35 | C36 | N32 | H33 | 119.8° | 120.0° |
| C36 | C35 | C34 | H29 | 65.4° | 62.3° |
| C36 | C35 | H30 | H31 | 119.7° | 120.1° |
| C35 | C36 | H32 | H33 | 120.7° | 119.9° |
| C35 | C36 | N32 | H39 | 57.5° | 62.4° |
| C05 | C03 | C01 | H9 | 179.9° | 180.0° |
| N32 | C36 | C35 | H30 | 179.0° | 179.1° |
| N32 | C36 | C35 | H31 | 59.1° | 60.7° |
| N32 | C36 | H32 | H33 | 120.7° | 120.0° |
| C36 | N32 | C37 | H36 | 175.1° | 178.2° |
| C36 | N32 | C37 | H37 | 65.3° | 58.3° |
| H1 | C27 | C29 | H20 | 173.8° | 179.9° |
| H1 | C27 | C29 | H21 | 66.7° | 60.0° |
| H2 | C27 | C29 | H20 | 53.9° | 60.0° |
| H2 | C27 | C29 | H21 | 173.4° | 180.0° |
| H3 | C12 | C11 | H7 | 93.1° | 60.0° |
| H3 | C12 | C11 | H8 | 149.6° | 180.0° |
| H4 | C12 | C11 | H7 | 146.9° | 179.9° |
| H4 | C12 | C11 | H8 | 29.6° | 60.0° |
| H5 | C13 | C10 | H18 | 106.5° | 60.0° |
| H5 | C13 | C10 | H19 | 12.4° | 180.0° |
| H5 | C13 | C34 | H29 | 49.6° | 65.2° |
| H6 | C13 | C10 | H18 | 134.7° | 180.0° |
| H6 | C13 | C10 | H19 | 106.4° | 60.0° |
| H6 | C13 | C34 | H29 | 168.4° | 174.9° |
| H9 | C01 | C02 | H10 | 0.0° | 0.0° |
| H9 | C01 | C03 | H11 | 0.1° | 0.2° |
| H10 | C02 | C04 | H12 | 0.1° | 0.1° |
| H11 | C03 | C05 | H13 | 0.2° | 0.3° |
| H14 | C06 | C07 | H15 | 0.3° | 0.0° |
| H20 | C29 | C31 | H25 | 173.5° | 180.0° |
| H20 | C29 | C31 | H26 | 53.9° | 59.9° |
| H21 | C29 | C31 | H25 | 67.1° | 60.0° |
| H21 | C29 | C31 | H26 | 173.4° | 179.9° |
| H22 | N30 | C33 | H27 | 59.6° | 176.0° |
| H22 | N30 | C33 | H28 | 59.5° | 63.9° |
| H23 | N30 | C33 | H27 | 60.5° | 60.0° |
| H23 | N30 | C33 | H28 | 179.6° | 60.1° |
| H25 | C31 | C33 | H27 | 69.6° | 60.0° |
| H25 | C31 | C33 | H28 | 49.5° | 179.9° |
| H26 | C31 | C33 | H27 | 170.8° | 180.0° |
| H26 | C31 | C33 | H28 | 70.0° | 59.9° |
| H29 | C34 | C35 | H30 | 54.7° | 57.6° |
| H29 | C34 | C35 | H31 | 174.6° | 177.7° |
| H29 | C34 | C38 | H34 | 166.2° | 177.7° |
| H29 | C34 | C38 | H35 | 47.7° | 57.6° |
| H30 | C35 | C36 | H32 | 61.3° | 59.1° |
| H30 | C35 | C36 | H33 | 59.2° | 60.9° |
| H31 | C35 | C36 | H32 | 178.8° | 179.2° |
| H31 | C35 | C36 | H33 | 60.7° | 59.3° |
| H32 | C36 | N32 | H39 | 177.2° | 177.6° |
| H33 | C36 | N32 | H39 | 62.3° | 57.6° |
| H34 | C38 | C37 | H36 | 44.5° | 59.2° |
| H34 | C38 | C37 | H37 | 164.0° | 179.2° |
| H35 | C38 | C37 | H36 | 74.1° | 60.9° |
| H35 | C38 | C37 | H37 | 45.4° | 59.2° |
| H36 | C37 | N32 | H39 | 54.4° | 57.7° |
| H37 | C37 | N32 | H39 | 174.0° | 177.6° |
