I5U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N26 | C26 | sing | 1.38Å | 1.33Å | |
| C26 | C25 | sing | 1.47Å | 1.48Å | |
| C26 | N27 | doub | 1.32Å | 1.31Å | |
| C25 | S21 | sing | 1.76Å | 1.72Å | Aromatic |
| C25 | C24 | doub | 1.37Å | 1.39Å | Aromatic |
| S21 | C22 | sing | 1.71Å | 1.73Å | Aromatic |
| C22 | C23 | doub | 1.34Å | 1.41Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| N27 | C31 | sing | 1.37Å | 1.36Å | |
| C31 | C32 | sing | 1.40Å | 1.40Å | Aromatic |
| C31 | C36 | doub | 1.40Å | 1.39Å | Aromatic |
| C32 | C33 | doub | 1.38Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C37 | sing | 1.51Å | 1.51Å | |
| C37 | O38 | sing | 1.43Å | 1.41Å | |
| O38 | C20 | sing | 1.43Å | 1.45Å | |
| C20 | C21 | sing | 1.53Å | 1.55Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C21 | N22 | sing | 1.47Å | 1.45Å | |
| C19 | O18 | sing | 1.43Å | 1.41Å | |
| O18 | C17 | sing | 1.43Å | 1.43Å | |
| C17 | C15 | sing | 1.51Å | 1.50Å | |
| C15 | C14 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | N07 | sing | 1.40Å | 1.37Å | |
| N07 | C06 | sing | 1.38Å | 1.35Å | |
| C06 | N06 | doub | 1.31Å | 1.34Å | |
| C06 | C05 | sing | 1.47Å | 1.50Å | |
| C05 | S01 | sing | 1.76Å | 1.73Å | Aromatic |
| C05 | C04 | doub | 1.36Å | 1.40Å | Aromatic |
| S01 | C02 | sing | 1.71Å | 1.74Å | Aromatic |
| C02 | C03 | doub | 1.34Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.41Å | Aromatic |
| N26 | H261 | sing | 0.97Å | 1.00Å | |
| N26 | H262 | sing | 0.97Å | 1.00Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C34 | H34 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| N22 | H221 | sing | 1.01Å | 1.00Å | |
| N22 | H222 | sing | 1.01Å | 1.00Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N07 | H07 | sing | 0.97Å | 1.00Å | |
| N06 | H06 | sing | 0.97Å | 1.00Å | |
| C04 | H04 | sing | 1.08Å | 1.08Å | |
| C02 | H02 | sing | 1.08Å | 1.08Å | |
| C03 | H03 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N26 | C26 | C25 | 122.4° | 120.0° |
| N26 | C26 | N27 | 118.0° | 120.0° |
| C26 | N26 | H261 | 120.0° | 120.1° |
| C26 | N26 | H262 | 120.0° | 120.0° |
| C25 | C26 | N27 | 119.6° | 120.0° |
| C26 | C25 | S21 | 118.1° | 125.4° |
| C26 | C25 | C24 | 127.8° | 125.4° |
| C26 | N27 | C31 | 126.3° | 120.0° |
| S21 | C25 | C24 | 113.5° | 109.1° |
| C25 | S21 | C22 | 90.5° | 91.6° |
| C25 | C24 | C23 | 111.4° | 113.2° |
| C25 | C24 | H24 | 124.3° | 123.4° |
| S21 | C22 | C23 | 111.2° | 111.0° |
| S21 | C22 | H22 | 124.4° | 124.5° |
| C22 | C23 | C24 | 113.1° | 115.1° |
| C23 | C22 | H22 | 124.4° | 124.5° |
| C22 | C23 | H23 | 123.4° | 122.4° |
| C23 | C24 | H24 | 124.3° | 123.4° |
| C24 | C23 | H23 | 123.4° | 122.4° |
| N27 | C31 | C32 | 125.2° | 120.2° |
| N27 | C31 | C36 | 116.4° | 120.2° |
| C32 | C31 | C36 | 118.1° | 119.7° |
| C31 | C32 | C33 | 120.0° | 119.9° |
| C31 | C32 | H32 | 120.0° | 120.1° |
| C31 | C36 | C35 | 121.2° | 119.9° |
| C31 | C36 | H36 | 119.4° | 120.1° |
| C32 | C33 | C34 | 121.6° | 120.1° |
| C33 | C32 | H32 | 120.0° | 120.0° |
| C32 | C33 | H33 | 119.2° | 120.0° |
| C33 | C34 | C35 | 117.9° | 120.3° |
| C34 | C33 | H33 | 119.2° | 119.9° |
| C33 | C34 | H34 | 121.1° | 119.8° |
| C34 | C35 | C36 | 121.1° | 120.1° |
| C34 | C35 | C37 | 123.5° | 119.9° |
| C35 | C34 | H34 | 121.1° | 119.9° |
| C36 | C35 | C37 | 115.3° | 119.9° |
| C35 | C36 | H36 | 119.4° | 120.1° |
| C35 | C37 | O38 | 114.4° | 109.4° |
| C35 | C37 | H371 | 108.2° | 109.5° |
| C35 | C37 | H372 | 108.2° | 109.5° |
| C37 | O38 | C20 | 113.1° | 114.0° |
| O38 | C37 | H371 | 108.2° | 109.5° |
| O38 | C37 | H372 | 108.3° | 109.5° |
| O38 | C20 | C21 | 115.9° | 109.4° |
| O38 | C20 | C19 | 106.6° | 109.5° |
| O38 | C20 | H20 | 109.4° | 109.5° |
| C21 | C20 | C19 | 108.1° | 109.5° |
| C20 | C21 | N22 | 112.5° | 109.5° |
| C21 | C20 | H20 | 108.2° | 109.5° |
| C20 | C21 | H211 | 108.7° | 109.5° |
| C20 | C21 | H212 | 108.7° | 109.5° |
| C20 | C19 | O18 | 108.2° | 109.5° |
| C19 | C20 | H20 | 108.4° | 109.5° |
| C20 | C19 | H191 | 109.8° | 109.4° |
| C20 | C19 | H192 | 109.8° | 109.5° |
| N22 | C21 | H211 | 108.7° | 109.5° |
| N22 | C21 | H212 | 108.7° | 109.4° |
| C21 | N22 | H221 | 109.5° | 111.0° |
| C21 | N22 | H222 | 109.4° | 111.0° |
| C19 | O18 | C17 | 115.2° | 114.0° |
| O18 | C19 | H191 | 109.8° | 109.5° |
| O18 | C19 | H192 | 109.8° | 109.5° |
| O18 | C17 | C15 | 110.6° | 109.4° |
| O18 | C17 | H171 | 109.2° | 109.5° |
| O18 | C17 | H172 | 109.2° | 109.5° |
| C17 | C15 | C14 | 119.3° | 120.0° |
| C17 | C15 | C16 | 119.5° | 120.0° |
| C15 | C17 | H171 | 109.2° | 109.5° |
| C15 | C17 | H172 | 109.2° | 109.5° |
| C14 | C15 | C16 | 121.2° | 120.0° |
| C15 | C14 | C13 | 118.6° | 120.2° |
| C15 | C14 | H14 | 120.7° | 119.9° |
| C15 | C16 | C11 | 121.3° | 120.0° |
| C15 | C16 | H16 | 119.4° | 120.1° |
| C14 | C13 | C12 | 120.3° | 120.1° |
| C13 | C14 | H14 | 120.7° | 120.0° |
| C14 | C13 | H13 | 119.9° | 119.9° |
| C13 | C12 | C11 | 121.4° | 119.9° |
| C12 | C13 | H13 | 119.8° | 120.0° |
| C13 | C12 | H12 | 119.3° | 120.0° |
| C12 | C11 | C16 | 117.3° | 119.8° |
| C12 | C11 | N07 | 127.8° | 120.1° |
| C11 | C12 | H12 | 119.3° | 120.1° |
| C16 | C11 | N07 | 114.9° | 120.1° |
| C11 | C16 | H16 | 119.4° | 120.0° |
| C11 | N07 | C06 | 130.4° | 120.0° |
| C11 | N07 | H07 | 114.8° | 120.0° |
| N07 | C06 | N06 | 126.5° | 120.0° |
| N07 | C06 | C05 | 116.5° | 120.0° |
| C06 | N07 | H07 | 114.8° | 120.0° |
| N06 | C06 | C05 | 116.8° | 120.0° |
| C06 | N06 | H06 | 112.0° | 120.0° |
| C06 | C05 | S01 | 118.9° | 125.4° |
| C06 | C05 | C04 | 131.7° | 125.5° |
| S01 | C05 | C04 | 109.4° | 109.1° |
| C05 | S01 | C02 | 93.3° | 91.6° |
| C05 | C04 | C03 | 114.3° | 113.3° |
| C05 | C04 | H04 | 122.8° | 123.4° |
| S01 | C02 | C03 | 110.6° | 111.0° |
| S01 | C02 | H02 | 124.7° | 124.5° |
| C02 | C03 | C04 | 112.4° | 115.1° |
| C03 | C02 | H02 | 124.7° | 124.5° |
| C02 | C03 | H03 | 123.8° | 122.5° |
| C03 | C04 | H04 | 122.9° | 123.3° |
| C04 | C03 | H03 | 123.8° | 122.4° |
| H261 | N26 | H262 | 120.0° | 120.0° |
| H371 | C37 | H372 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H221 | N22 | H222 | 109.5° | 110.9° |
| H171 | C17 | H172 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N26 | C26 | C25 | N27 | 178.1° | 179.9° |
| N26 | C26 | C25 | S21 | 30.9° | 171.6° |
| N26 | C26 | C25 | C24 | 140.0° | 8.0° |
| N26 | C26 | N27 | C31 | 153.4° | 172.4° |
| C26 | N26 | H261 | H262 | 180.0° | 179.6° |
| C26 | C25 | S21 | C24 | 172.2° | 179.7° |
| C26 | C25 | S21 | C22 | 176.4° | 179.9° |
| C26 | C25 | C24 | C23 | 175.9° | 179.9° |
| C25 | C26 | N27 | C31 | 28.4° | 7.6° |
| C25 | C26 | N26 | H261 | 178.2° | 0.1° |
| C25 | C26 | N26 | H262 | 1.8° | 179.7° |
| C26 | C25 | C24 | H24 | 4.1° | 0.0° |
| N27 | C26 | C25 | S21 | 150.9° | 8.5° |
| N27 | C26 | C25 | C24 | 38.1° | 171.9° |
| C26 | N27 | C31 | C32 | 28.4° | 67.7° |
| C26 | N27 | C31 | C36 | 145.7° | 112.4° |
| N27 | C26 | N26 | H261 | 0.0° | 180.0° |
| N27 | C26 | N26 | H262 | 180.0° | 0.3° |
| C25 | S21 | C22 | C23 | 2.7° | 0.0° |
| S21 | C25 | C24 | C23 | 4.6° | 0.4° |
| S21 | C25 | C24 | H24 | 175.4° | 179.7° |
| C25 | S21 | C22 | H22 | 177.3° | 180.0° |
| C24 | C25 | S21 | C22 | 4.2° | 0.2° |
| C25 | C24 | C23 | C22 | 2.5° | 0.4° |
| C25 | C24 | C23 | H24 | 180.0° | 179.9° |
| C25 | C24 | C23 | H23 | 177.5° | 179.8° |
| S21 | C22 | C23 | H22 | 180.0° | 180.0° |
| S21 | C22 | C23 | C24 | 0.6° | 0.2° |
| S21 | C22 | C23 | H23 | 179.3° | 180.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.8° |
| C22 | C23 | C24 | H24 | 177.5° | 179.7° |
| C24 | C23 | C22 | H22 | 179.3° | 179.8° |
| N27 | C31 | C32 | C36 | 174.0° | 179.8° |
| N27 | C31 | C32 | C33 | 174.4° | 180.0° |
| N27 | C31 | C36 | C35 | 176.3° | 179.7° |
| N27 | C31 | C32 | H32 | 5.6° | 0.1° |
| N27 | C31 | C36 | H36 | 3.6° | 0.1° |
| C31 | C32 | C33 | H32 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 0.1° | 0.1° |
| C32 | C31 | C36 | C35 | 1.8° | 0.4° |
| C32 | C31 | C36 | H36 | 178.1° | 179.7° |
| C31 | C32 | C33 | H33 | 179.9° | 180.0° |
| C36 | C31 | C32 | C33 | 0.4° | 0.2° |
| C31 | C36 | C35 | C34 | 3.0° | 0.5° |
| C31 | C36 | C35 | H36 | 180.0° | 179.8° |
| C31 | C36 | C35 | C37 | 179.4° | 179.7° |
| C36 | C31 | C32 | H32 | 179.6° | 179.8° |
| C32 | C33 | C34 | H33 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 1.2° | 0.1° |
| C32 | C33 | C34 | H34 | 178.8° | 179.9° |
| C33 | C34 | C35 | H34 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 2.6° | 0.2° |
| C33 | C34 | C35 | C37 | 178.7° | 180.0° |
| C34 | C33 | C32 | H32 | 179.9° | 180.0° |
| C34 | C35 | C36 | C37 | 176.3° | 179.8° |
| C34 | C35 | C37 | O38 | 15.7° | 90.0° |
| C34 | C35 | C36 | H36 | 177.0° | 179.7° |
| C35 | C34 | C33 | H33 | 178.8° | 180.0° |
| C34 | C35 | C37 | H371 | 105.0° | 150.0° |
| C34 | C35 | C37 | H372 | 136.5° | 30.0° |
| C36 | C35 | C37 | O38 | 168.0° | 89.8° |
| C36 | C35 | C34 | H34 | 177.4° | 179.8° |
| C36 | C35 | C37 | H371 | 71.3° | 30.2° |
| C36 | C35 | C37 | H372 | 47.3° | 150.2° |
| C35 | C37 | O38 | H371 | 120.7° | 120.0° |
| C35 | C37 | O38 | H372 | 120.7° | 120.0° |
| C35 | C37 | O38 | C20 | 117.7° | 180.0° |
| C37 | C35 | C36 | H36 | 0.6° | 0.1° |
| C37 | C35 | C34 | H34 | 1.4° | 0.0° |
| C35 | C37 | H371 | H372 | 117.7° | 120.0° |
| C37 | O38 | C20 | C21 | 54.4° | 90.0° |
| C37 | O38 | C20 | C19 | 174.7° | 150.0° |
| O38 | C37 | H371 | H372 | 117.8° | 120.0° |
| C37 | O38 | C20 | H20 | 68.3° | 29.9° |
| O38 | C20 | C21 | C19 | 119.6° | 120.0° |
| O38 | C20 | C21 | H20 | 123.3° | 120.0° |
| O38 | C20 | C19 | H20 | 117.7° | 120.0° |
| O38 | C20 | C21 | N22 | 72.4° | 65.0° |
| O38 | C20 | C19 | O18 | 120.7° | 65.0° |
| C20 | O38 | C37 | H371 | 121.6° | 60.1° |
| C20 | O38 | C37 | H372 | 3.1° | 59.9° |
| O38 | C20 | C21 | H211 | 48.1° | 175.0° |
| O38 | C20 | C21 | H212 | 167.2° | 55.0° |
| O38 | C20 | C19 | H191 | 0.9° | 175.0° |
| O38 | C20 | C19 | H192 | 119.5° | 55.0° |
| C21 | C20 | C19 | H20 | 117.0° | 120.0° |
| C20 | C21 | N22 | H211 | 120.4° | 120.0° |
| C20 | C21 | N22 | H212 | 120.5° | 120.0° |
| C21 | C20 | C19 | O18 | 114.0° | 55.0° |
| C20 | C21 | H211 | H212 | 118.6° | 120.0° |
| C21 | C20 | C19 | H191 | 126.2° | 65.0° |
| C21 | C20 | C19 | H192 | 5.8° | 175.0° |
| C20 | C21 | N22 | H221 | 180.0° | 56.1° |
| C20 | C21 | N22 | H222 | 60.0° | 180.0° |
| C19 | C20 | C21 | N22 | 47.2° | 175.0° |
| C20 | C19 | O18 | H191 | 119.8° | 120.0° |
| C20 | C19 | O18 | H192 | 119.8° | 120.1° |
| C20 | C19 | O18 | C17 | 167.0° | 180.0° |
| C19 | C20 | C21 | H211 | 167.6° | 55.0° |
| C19 | C20 | C21 | H212 | 73.3° | 65.0° |
| C20 | C19 | H191 | H192 | 120.6° | 120.0° |
| N22 | C21 | C20 | H20 | 164.4° | 55.0° |
| N22 | C21 | H211 | H212 | 118.6° | 119.9° |
| C21 | N22 | H221 | H222 | 120.0° | 124.0° |
| C19 | O18 | C17 | C15 | 70.3° | 180.0° |
| O18 | C19 | C20 | H20 | 3.0° | 175.0° |
| O18 | C19 | H191 | H192 | 120.6° | 120.0° |
| C19 | O18 | C17 | H171 | 169.5° | 60.0° |
| C19 | O18 | C17 | H172 | 49.9° | 60.0° |
| O18 | C17 | C15 | H171 | 120.2° | 120.0° |
| O18 | C17 | C15 | H172 | 120.2° | 120.0° |
| O18 | C17 | C15 | C14 | 149.8° | 90.0° |
| O18 | C17 | C15 | C16 | 29.9° | 90.3° |
| C17 | O18 | C19 | H191 | 47.2° | 60.0° |
| C17 | O18 | C19 | H192 | 73.2° | 60.0° |
| O18 | C17 | H171 | H172 | 119.5° | 120.0° |
| C17 | C15 | C14 | C16 | 179.7° | 179.7° |
| C17 | C15 | C14 | C13 | 179.5° | 180.0° |
| C17 | C15 | C16 | C11 | 179.0° | 179.8° |
| C15 | C17 | H171 | H172 | 119.5° | 120.0° |
| C17 | C15 | C14 | H14 | 0.5° | 0.0° |
| C17 | C15 | C16 | H16 | 1.0° | 0.1° |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.2° | 0.0° |
| C14 | C15 | C16 | C11 | 0.7° | 0.6° |
| C14 | C15 | C17 | H171 | 90.1° | 30.0° |
| C14 | C15 | C17 | H172 | 29.6° | 150.0° |
| C14 | C15 | C16 | H16 | 179.3° | 179.8° |
| C15 | C14 | C13 | H13 | 179.8° | 180.0° |
| C16 | C15 | C14 | C13 | 0.2° | 0.3° |
| C15 | C16 | C11 | C12 | 1.1° | 0.5° |
| C15 | C16 | C11 | H16 | 180.0° | 179.7° |
| C15 | C16 | C11 | N07 | 178.7° | 179.7° |
| C16 | C15 | C17 | H171 | 90.2° | 149.7° |
| C16 | C15 | C17 | H172 | 150.1° | 29.7° |
| C16 | C15 | C14 | H14 | 179.8° | 179.7° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.6° | 0.0° |
| C14 | C13 | C12 | H12 | 179.3° | 180.0° |
| C13 | C12 | C11 | H12 | 180.0° | 179.9° |
| C13 | C12 | C11 | C16 | 1.0° | 0.2° |
| C13 | C12 | C11 | N07 | 178.7° | 180.0° |
| C12 | C13 | C14 | H14 | 179.8° | 180.0° |
| C12 | C11 | C16 | N07 | 179.8° | 179.8° |
| C12 | C11 | N07 | C06 | 2.3° | 144.3° |
| C12 | C11 | C16 | H16 | 178.9° | 179.8° |
| C11 | C12 | C13 | H13 | 179.4° | 180.0° |
| C12 | C11 | N07 | H07 | 177.7° | 35.6° |
| C16 | C11 | N07 | C06 | 178.0° | 35.8° |
| C16 | C11 | C12 | H12 | 178.9° | 179.7° |
| C16 | C11 | N07 | H07 | 2.1° | 144.2° |
| C11 | N07 | C06 | H07 | 180.0° | 179.9° |
| C11 | N07 | C06 | N06 | 12.3° | 7.1° |
| C11 | N07 | C06 | C05 | 162.5° | 172.8° |
| N07 | C11 | C16 | H16 | 1.3° | 0.0° |
| N07 | C11 | C12 | H12 | 1.3° | 0.1° |
| N07 | C06 | N06 | C05 | 174.7° | 180.0° |
| N07 | C06 | C05 | S01 | 138.9° | 0.1° |
| N07 | C06 | C05 | C04 | 42.7° | 179.7° |
| N07 | C06 | N06 | H06 | 174.7° | 180.0° |
| N06 | C06 | C05 | S01 | 45.9° | 179.9° |
| N06 | C06 | C05 | C04 | 132.5° | 0.3° |
| N06 | C06 | N07 | H07 | 167.7° | 172.8° |
| C06 | C05 | S01 | C04 | 178.8° | 179.7° |
| C06 | C05 | S01 | C02 | 179.4° | 179.9° |
| C06 | C05 | C04 | C03 | 179.2° | 179.9° |
| C05 | C06 | N07 | H07 | 17.6° | 7.2° |
| C05 | C06 | N06 | H06 | 0.0° | 0.0° |
| C06 | C05 | C04 | H04 | 0.9° | 0.0° |
| C05 | S01 | C02 | C03 | 0.6° | 0.1° |
| S01 | C05 | C04 | C03 | 0.6° | 0.4° |
| S01 | C05 | C04 | H04 | 179.4° | 179.7° |
| C05 | S01 | C02 | H02 | 179.4° | 179.9° |
| C04 | C05 | S01 | C02 | 0.7° | 0.3° |
| C05 | C04 | C03 | C02 | 0.2° | 0.4° |
| C05 | C04 | C03 | H04 | 180.0° | 179.9° |
| C05 | C04 | C03 | H03 | 179.8° | 179.7° |
| S01 | C02 | C03 | H02 | 180.0° | 180.0° |
| S01 | C02 | C03 | C04 | 0.3° | 0.1° |
| S01 | C02 | C03 | H03 | 179.6° | 180.0° |
| C02 | C03 | C04 | H03 | 180.0° | 179.9° |
| C02 | C03 | C04 | H04 | 179.8° | 179.8° |
| C04 | C03 | C02 | H02 | 179.7° | 179.8° |
| H24 | C24 | C23 | H23 | 2.5° | 0.1° |
| H22 | C22 | C23 | H23 | 0.7° | 0.0° |
| H32 | C32 | C33 | H33 | 0.1° | 0.1° |
| H33 | C33 | C34 | H34 | 1.2° | 0.0° |
| H20 | C20 | C21 | H211 | 75.2° | 65.0° |
| H20 | C20 | C21 | H212 | 43.9° | 175.0° |
| H20 | C20 | C19 | H191 | 116.8° | 55.0° |
| H20 | C20 | C19 | H192 | 122.8° | 65.0° |
| H211 | C21 | N22 | H221 | 59.6° | 64.0° |
| H211 | C21 | N22 | H222 | 179.6° | 59.9° |
| H212 | C21 | N22 | H221 | 59.5° | 176.1° |
| H212 | C21 | N22 | H222 | 60.5° | 60.0° |
| H14 | C14 | C13 | H13 | 0.2° | 0.0° |
| H13 | C13 | C12 | H12 | 0.7° | 0.0° |
| H04 | C04 | C03 | H03 | 0.1° | 0.1° |
| H02 | C02 | C03 | H03 | 0.4° | 0.1° |
