N38
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O30 | C26 | doub | 1.21Å | 1.18Å | |
| N27 | C26 | sing | 1.34Å | 1.54Å | |
| N27 | C28 | sing | 1.47Å | 1.54Å | |
| C26 | C25 | sing | 1.51Å | 1.34Å | |
| C28 | C29 | sing | 1.55Å | 1.33Å | |
| C25 | C29 | sing | 1.55Å | 1.67Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C37 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C37 | C03 | sing | 1.39Å | 1.39Å | Aromatic |
| C23 | C31 | sing | 1.53Å | 1.52Å | |
| C23 | N22 | sing | 1.47Å | 1.48Å | |
| C36 | C06 | sing | 1.39Å | 1.38Å | Aromatic |
| O02 | C03 | sing | 1.36Å | 1.41Å | |
| O02 | C01 | sing | 1.43Å | 1.41Å | |
| C31 | O32 | sing | 1.43Å | 1.42Å | |
| C03 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| O35 | S11 | doub | 1.42Å | 1.46Å | |
| C06 | O07 | sing | 1.36Å | 1.40Å | |
| C06 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| N22 | C21 | sing | 1.35Å | 1.45Å | |
| O07 | C08 | sing | 1.43Å | 1.41Å | |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| O34 | S11 | doub | 1.42Å | 1.45Å | |
| O33 | C21 | doub | 1.21Å | 1.20Å | |
| C21 | C13 | sing | 1.51Å | 1.54Å | |
| S11 | C10 | sing | 1.81Å | 1.80Å | |
| S11 | N12 | sing | 1.66Å | 1.70Å | |
| C13 | N12 | sing | 1.46Å | 1.42Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| C15 | C20 | sing | 1.53Å | 1.55Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C20 | C19 | sing | 1.53Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.08Å | 1.08Å | |
| C05 | H5 | sing | 1.08Å | 1.08Å | |
| C08 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| C19 | H22 | sing | 1.09Å | 1.10Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| C20 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C24 | H27 | sing | 1.09Å | 1.10Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C31 | H34 | sing | 1.09Å | 1.10Å | |
| C31 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| N12 | H38 | sing | 0.97Å | 1.00Å | |
| N22 | H39 | sing | 0.97Å | 1.00Å | |
| N27 | H40 | sing | 0.97Å | 1.00Å | |
| O32 | H41 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O30 | C26 | N27 | 123.8° | 124.9° |
| O30 | C26 | C25 | 128.9° | 124.9° |
| C26 | N27 | C28 | 107.4° | 111.3° |
| N27 | C26 | C25 | 107.3° | 110.1° |
| C26 | N27 | H40 | 126.3° | 124.4° |
| N27 | C28 | C29 | 106.4° | 105.4° |
| N27 | C28 | H30 | 110.3° | 110.3° |
| N27 | C28 | H31 | 110.2° | 110.4° |
| C28 | N27 | H40 | 126.3° | 124.3° |
| C26 | C25 | C29 | 106.5° | 104.2° |
| C26 | C25 | C24 | 110.0° | 110.5° |
| C26 | C25 | H29 | 110.9° | 110.6° |
| C28 | C29 | C25 | 106.2° | 101.8° |
| C29 | C28 | H30 | 110.2° | 110.2° |
| C29 | C28 | H31 | 110.2° | 110.2° |
| C28 | C29 | H32 | 110.3° | 111.0° |
| C28 | C29 | H33 | 110.3° | 110.9° |
| C29 | C25 | C24 | 114.8° | 110.5° |
| C29 | C25 | H29 | 106.6° | 110.5° |
| C25 | C29 | H32 | 110.3° | 111.0° |
| C25 | C29 | H33 | 110.3° | 110.9° |
| C25 | C24 | C23 | 117.4° | 109.5° |
| C25 | C24 | H27 | 107.4° | 109.5° |
| C25 | C24 | H28 | 107.5° | 109.4° |
| C24 | C25 | H29 | 108.0° | 110.4° |
| C24 | C23 | C31 | 111.5° | 109.4° |
| C24 | C23 | N22 | 106.9° | 109.5° |
| C24 | C23 | H26 | 108.6° | 109.5° |
| C23 | C24 | H27 | 107.5° | 109.5° |
| C23 | C24 | H28 | 107.4° | 109.5° |
| C36 | C37 | C03 | 120.4° | 120.0° |
| C37 | C36 | C06 | 119.9° | 120.0° |
| C37 | C36 | H36 | 120.0° | 120.0° |
| C36 | C37 | H37 | 119.8° | 120.0° |
| C37 | C03 | O02 | 117.5° | 120.0° |
| C37 | C03 | C04 | 119.6° | 120.0° |
| C03 | C37 | H37 | 119.8° | 120.0° |
| C31 | C23 | N22 | 111.6° | 109.5° |
| C23 | C31 | O32 | 108.5° | 109.5° |
| C31 | C23 | H26 | 108.8° | 109.5° |
| C23 | C31 | H34 | 109.7° | 109.5° |
| C23 | C31 | H35 | 109.7° | 109.5° |
| C23 | N22 | C21 | 118.7° | 120.0° |
| N22 | C23 | H26 | 109.4° | 109.5° |
| C23 | N22 | H39 | 120.7° | 120.0° |
| C36 | C06 | O07 | 119.3° | 119.9° |
| C36 | C06 | C05 | 120.2° | 120.0° |
| C06 | C36 | H36 | 120.1° | 120.1° |
| C03 | O02 | C01 | 119.9° | 117.0° |
| O02 | C03 | C04 | 122.9° | 120.0° |
| O02 | C01 | H1 | 109.5° | 109.4° |
| O02 | C01 | H2 | 109.5° | 109.4° |
| O02 | C01 | H3 | 109.5° | 109.5° |
| O32 | C31 | H34 | 109.7° | 109.4° |
| O32 | C31 | H35 | 109.7° | 109.5° |
| C31 | O32 | H41 | 109.5° | 114.0° |
| C03 | C04 | C05 | 120.2° | 120.0° |
| C03 | C04 | H4 | 119.9° | 120.0° |
| O35 | S11 | O34 | 104.9° | 121.0° |
| O35 | S11 | C10 | 109.9° | 110.5° |
| O35 | S11 | N12 | 108.7° | 104.3° |
| O07 | C06 | C05 | 120.5° | 120.0° |
| C06 | O07 | C08 | 115.0° | 117.0° |
| C06 | C05 | C04 | 119.8° | 120.0° |
| C06 | C05 | H5 | 120.1° | 120.0° |
| N22 | C21 | O33 | 121.5° | 120.0° |
| N22 | C21 | C13 | 115.2° | 120.0° |
| C21 | N22 | H39 | 120.6° | 120.0° |
| O07 | C08 | C09 | 107.8° | 109.5° |
| O07 | C08 | H6 | 109.9° | 109.5° |
| O07 | C08 | H7 | 109.9° | 109.5° |
| C05 | C04 | H4 | 119.9° | 120.0° |
| C04 | C05 | H5 | 120.1° | 120.0° |
| C08 | C09 | C10 | 110.3° | 109.5° |
| C09 | C08 | H6 | 109.9° | 109.4° |
| C09 | C08 | H7 | 109.9° | 109.4° |
| C08 | C09 | H8 | 109.3° | 109.5° |
| C08 | C09 | H9 | 109.2° | 109.5° |
| C09 | C10 | S11 | 108.7° | 109.5° |
| C10 | C09 | H8 | 109.2° | 109.5° |
| C10 | C09 | H9 | 109.3° | 109.5° |
| C09 | C10 | H10 | 109.7° | 109.5° |
| C09 | C10 | H11 | 109.7° | 109.4° |
| O34 | S11 | C10 | 114.2° | 110.5° |
| O34 | S11 | N12 | 108.8° | 104.3° |
| O33 | C21 | C13 | 123.3° | 120.0° |
| C21 | C13 | N12 | 111.8° | 109.5° |
| C21 | C13 | C14 | 107.8° | 109.5° |
| C21 | C13 | H12 | 108.2° | 109.5° |
| C10 | S11 | N12 | 110.0° | 104.4° |
| S11 | C10 | H10 | 109.7° | 109.5° |
| S11 | C10 | H11 | 109.6° | 109.5° |
| S11 | N12 | C13 | 119.0° | 120.0° |
| S11 | N12 | H38 | 107.1° | 120.0° |
| N12 | C13 | C14 | 110.4° | 109.5° |
| N12 | C13 | H12 | 109.8° | 109.4° |
| C13 | N12 | H38 | 107.0° | 120.0° |
| C13 | C14 | C15 | 114.0° | 109.5° |
| C14 | C13 | H12 | 108.6° | 109.5° |
| C13 | C14 | H13 | 108.3° | 109.5° |
| C13 | C14 | H14 | 108.4° | 109.5° |
| C14 | C15 | C16 | 108.1° | 109.5° |
| C14 | C15 | C20 | 107.7° | 109.5° |
| C15 | C14 | H13 | 108.3° | 109.5° |
| C15 | C14 | H14 | 108.4° | 109.5° |
| C14 | C15 | H15 | 109.8° | 109.5° |
| C15 | C16 | C17 | 111.5° | 109.5° |
| C16 | C15 | C20 | 111.7° | 109.4° |
| C16 | C15 | H15 | 109.9° | 109.5° |
| C15 | C16 | H16 | 109.0° | 109.5° |
| C15 | C16 | H17 | 109.0° | 109.5° |
| C16 | C17 | C18 | 111.4° | 109.4° |
| C17 | C16 | H16 | 109.0° | 109.5° |
| C17 | C16 | H17 | 109.0° | 109.5° |
| C16 | C17 | H18 | 109.0° | 109.5° |
| C16 | C17 | H19 | 109.0° | 109.5° |
| C15 | C20 | C19 | 111.1° | 109.5° |
| C20 | C15 | H15 | 109.6° | 109.4° |
| C15 | C20 | H24 | 109.0° | 109.4° |
| C15 | C20 | H25 | 109.0° | 109.5° |
| C17 | C18 | C19 | 114.1° | 109.5° |
| C18 | C17 | H18 | 109.0° | 109.4° |
| C18 | C17 | H19 | 109.0° | 109.5° |
| C17 | C18 | H20 | 108.3° | 109.5° |
| C17 | C18 | H21 | 108.3° | 109.5° |
| C20 | C19 | C18 | 111.3° | 109.5° |
| C20 | C19 | H22 | 109.0° | 109.5° |
| C20 | C19 | H23 | 109.0° | 109.5° |
| C19 | C20 | H24 | 109.1° | 109.5° |
| C19 | C20 | H25 | 109.1° | 109.5° |
| C19 | C18 | H20 | 108.3° | 109.5° |
| C19 | C18 | H21 | 108.3° | 109.4° |
| C18 | C19 | H22 | 109.0° | 109.5° |
| C18 | C19 | H23 | 109.0° | 109.5° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H6 | C08 | H7 | 109.5° | 109.5° |
| H8 | C09 | H9 | 109.5° | 109.4° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.4° | 109.4° |
| H16 | C16 | H17 | 109.5° | 109.5° |
| H18 | C17 | H19 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.5° | 109.5° |
| H22 | C19 | H23 | 109.5° | 109.5° |
| H24 | C20 | H25 | 109.5° | 109.5° |
| H27 | C24 | H28 | 109.5° | 109.5° |
| H30 | C28 | H31 | 109.5° | 110.2° |
| H32 | C29 | H33 | 109.5° | 110.9° |
| H34 | C31 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O30 | C26 | N27 | C25 | 178.2° | 180.0° |
| O30 | C26 | N27 | C28 | 180.0° | 179.5° |
| O30 | C26 | C25 | C29 | 167.1° | 163.8° |
| O30 | C26 | C25 | C24 | 42.1° | 45.1° |
| O30 | C26 | C25 | H29 | 77.3° | 77.5° |
| O30 | C26 | N27 | H40 | 0.0° | 0.4° |
| C26 | N27 | C28 | H40 | 180.0° | 179.9° |
| C26 | N27 | C28 | C29 | 15.4° | 17.1° |
| N27 | C26 | C25 | C29 | 14.8° | 16.2° |
| N27 | C26 | C25 | C24 | 139.8° | 134.9° |
| N27 | C26 | C25 | H29 | 100.9° | 102.5° |
| C26 | N27 | C28 | H30 | 104.1° | 136.0° |
| C26 | N27 | C28 | H31 | 134.9° | 101.9° |
| C28 | N27 | C26 | C25 | 1.8° | 0.5° |
| N27 | C28 | C29 | H30 | 119.5° | 119.0° |
| N27 | C28 | C29 | H31 | 119.5° | 119.1° |
| N27 | C28 | C29 | C25 | 23.2° | 25.5° |
| N27 | C28 | H30 | H31 | 121.4° | 122.1° |
| N27 | C28 | C29 | H32 | 142.6° | 92.7° |
| N27 | C28 | C29 | H33 | 96.3° | 143.5° |
| C26 | C25 | C29 | C28 | 25.7° | 24.8° |
| C26 | C25 | C29 | C24 | 122.0° | 118.7° |
| C26 | C25 | C29 | H29 | 118.5° | 118.8° |
| C26 | C25 | C24 | H29 | 121.1° | 122.7° |
| C26 | C25 | C24 | C23 | 170.1° | 179.4° |
| C26 | C25 | C24 | H27 | 49.0° | 59.4° |
| C26 | C25 | C24 | H28 | 68.7° | 60.6° |
| C26 | C25 | C29 | H32 | 145.2° | 93.3° |
| C26 | C25 | C29 | H33 | 93.8° | 142.9° |
| C25 | C26 | N27 | H40 | 178.3° | 179.6° |
| C28 | C29 | C25 | H32 | 119.5° | 118.2° |
| C28 | C29 | C25 | H33 | 119.5° | 118.1° |
| C28 | C29 | C25 | C24 | 147.7° | 143.5° |
| C28 | C29 | C25 | H29 | 92.8° | 94.0° |
| C29 | C28 | H30 | H31 | 121.4° | 121.9° |
| C28 | C29 | H32 | H33 | 121.5° | 123.8° |
| C29 | C28 | N27 | H40 | 164.6° | 163.0° |
| C29 | C25 | C24 | H29 | 118.8° | 122.5° |
| C29 | C25 | C24 | C23 | 50.0° | 65.8° |
| C29 | C25 | C24 | H27 | 71.1° | 174.2° |
| C29 | C25 | C24 | H28 | 171.2° | 54.2° |
| C25 | C29 | C28 | H30 | 96.3° | 144.4° |
| C25 | C29 | C28 | H31 | 142.7° | 93.7° |
| C25 | C29 | H32 | H33 | 121.5° | 123.8° |
| C25 | C24 | C23 | H27 | 121.1° | 120.0° |
| C25 | C24 | C23 | H28 | 121.2° | 119.9° |
| C25 | C24 | C23 | C31 | 175.6° | 176.1° |
| C25 | C24 | C23 | N22 | 62.2° | 64.0° |
| C25 | C24 | C23 | H26 | 55.7° | 56.1° |
| C25 | C24 | H27 | H28 | 116.4° | 120.0° |
| C24 | C25 | C29 | H32 | 92.8° | 25.4° |
| C24 | C25 | C29 | H33 | 28.2° | 98.4° |
| C24 | C23 | C31 | N22 | 119.4° | 120.0° |
| C24 | C23 | C31 | H26 | 119.8° | 120.0° |
| C24 | C23 | N22 | H26 | 117.4° | 120.0° |
| C24 | C23 | C31 | O32 | 170.5° | 55.0° |
| C24 | C23 | N22 | C21 | 116.3° | 151.5° |
| C23 | C24 | H27 | H28 | 116.4° | 120.1° |
| C23 | C24 | C25 | H29 | 68.7° | 56.7° |
| C24 | C23 | C31 | H34 | 50.6° | 175.0° |
| C24 | C23 | C31 | H35 | 69.7° | 65.0° |
| C24 | C23 | N22 | H39 | 63.7° | 28.4° |
| C36 | C37 | C03 | H37 | 180.0° | 180.0° |
| C37 | C36 | C06 | H36 | 180.0° | 179.9° |
| C36 | C37 | C03 | O02 | 179.4° | 179.7° |
| C36 | C37 | C03 | C04 | 0.4° | 0.0° |
| C37 | C36 | C06 | O07 | 179.9° | 179.9° |
| C37 | C36 | C06 | C05 | 1.2° | 0.1° |
| C03 | C37 | C36 | C06 | 0.4° | 0.1° |
| C37 | C03 | O02 | C04 | 178.9° | 179.6° |
| C37 | C03 | O02 | C01 | 177.3° | 0.3° |
| C37 | C03 | C04 | C05 | 0.5° | 0.1° |
| C37 | C03 | C04 | H4 | 179.5° | 180.0° |
| C03 | C37 | C36 | H36 | 179.6° | 180.0° |
| C31 | C23 | N22 | H26 | 120.5° | 120.0° |
| C23 | C31 | O32 | H34 | 119.9° | 120.0° |
| C23 | C31 | O32 | H35 | 119.8° | 120.0° |
| C31 | C23 | N22 | C21 | 121.6° | 88.5° |
| C31 | C23 | C24 | H27 | 54.5° | 63.9° |
| C31 | C23 | C24 | H28 | 63.2° | 56.1° |
| C23 | C31 | H34 | H35 | 120.4° | 120.0° |
| C31 | C23 | N22 | H39 | 58.4° | 91.5° |
| C23 | C31 | O32 | H41 | 180.0° | 180.0° |
| N22 | C23 | C31 | O32 | 70.1° | 65.0° |
| C23 | N22 | C21 | H39 | 180.0° | 180.0° |
| C23 | N22 | C21 | O33 | 2.7° | 0.0° |
| C23 | N22 | C21 | C13 | 178.7° | 180.0° |
| N22 | C23 | C24 | H27 | 176.7° | 56.0° |
| N22 | C23 | C24 | H28 | 59.0° | 176.1° |
| N22 | C23 | C31 | H34 | 170.0° | 55.0° |
| N22 | C23 | C31 | H35 | 49.7° | 175.0° |
| C36 | C06 | O07 | C05 | 178.9° | 180.0° |
| C36 | C06 | O07 | C08 | 145.1° | 0.1° |
| C36 | C06 | C05 | C04 | 1.1° | 0.1° |
| C36 | C06 | C05 | H5 | 178.9° | 180.0° |
| C06 | C36 | C37 | H37 | 179.6° | 179.9° |
| O02 | C03 | C04 | C05 | 179.4° | 179.7° |
| C03 | O02 | C01 | H1 | 180.0° | 180.0° |
| C03 | O02 | C01 | H2 | 60.0° | 60.0° |
| C03 | O02 | C01 | H3 | 60.0° | 60.0° |
| O02 | C03 | C04 | H4 | 0.6° | 0.4° |
| O02 | C03 | C37 | H37 | 0.6° | 0.3° |
| C01 | O02 | C03 | C04 | 3.8° | 179.9° |
| O02 | C01 | H1 | H2 | 120.0° | 119.9° |
| O02 | C01 | H1 | H3 | 120.0° | 120.0° |
| O02 | C01 | H2 | H3 | 120.0° | 120.0° |
| O32 | C31 | C23 | H26 | 50.7° | 175.0° |
| O32 | C31 | H34 | H35 | 120.4° | 120.0° |
| C03 | C04 | C05 | C06 | 0.3° | 0.0° |
| C03 | C04 | C05 | H4 | 180.0° | 179.9° |
| C03 | C04 | C05 | H5 | 179.7° | 179.9° |
| C04 | C03 | C37 | H37 | 179.6° | 180.0° |
| O35 | S11 | C10 | C09 | 73.3° | 68.4° |
| O35 | S11 | O34 | C10 | 120.4° | 131.5° |
| O35 | S11 | O34 | N12 | 116.2° | 116.8° |
| O35 | S11 | C10 | N12 | 119.7° | 111.6° |
| O35 | S11 | N12 | C13 | 1.5° | 179.4° |
| O35 | S11 | C10 | H10 | 46.6° | 51.6° |
| O35 | S11 | C10 | H11 | 166.9° | 171.7° |
| O35 | S11 | N12 | H38 | 119.8° | 0.7° |
| O07 | C06 | C05 | C04 | 180.0° | 180.0° |
| C06 | O07 | C08 | C09 | 170.7° | 180.0° |
| O07 | C06 | C05 | H5 | 0.0° | 0.0° |
| C06 | O07 | C08 | H6 | 69.6° | 60.0° |
| C06 | O07 | C08 | H7 | 50.9° | 60.1° |
| O07 | C06 | C36 | H36 | 0.0° | 0.0° |
| C05 | C06 | O07 | C08 | 33.8° | 180.0° |
| C06 | C05 | C04 | H5 | 180.0° | 180.0° |
| C06 | C05 | C04 | H4 | 179.7° | 179.9° |
| C05 | C06 | C36 | H36 | 178.9° | 180.0° |
| N22 | C21 | O33 | C13 | 178.5° | 180.0° |
| N22 | C21 | C13 | N12 | 144.7° | 180.0° |
| N22 | C21 | C13 | C14 | 93.7° | 60.0° |
| N22 | C21 | C13 | H12 | 23.6° | 60.1° |
| C21 | N22 | C23 | H26 | 1.1° | 31.5° |
| O07 | C08 | C09 | H6 | 119.7° | 120.1° |
| O07 | C08 | C09 | H7 | 119.7° | 120.0° |
| O07 | C08 | C09 | C10 | 52.1° | 180.0° |
| O07 | C08 | H6 | H7 | 120.8° | 120.1° |
| O07 | C08 | C09 | H8 | 172.2° | 60.0° |
| O07 | C08 | C09 | H9 | 68.0° | 59.9° |
| C08 | C09 | C10 | H8 | 120.1° | 120.0° |
| C08 | C09 | C10 | H9 | 120.1° | 120.1° |
| C08 | C09 | C10 | S11 | 151.1° | 180.0° |
| C09 | C08 | H6 | H7 | 120.8° | 119.9° |
| C08 | C09 | H8 | H9 | 119.6° | 120.0° |
| C08 | C09 | C10 | H10 | 31.2° | 60.0° |
| C08 | C09 | C10 | H11 | 89.1° | 60.0° |
| C09 | C10 | S11 | O34 | 44.3° | 68.4° |
| C09 | C10 | S11 | H10 | 119.9° | 120.0° |
| C09 | C10 | S11 | H11 | 119.9° | 119.9° |
| C09 | C10 | S11 | N12 | 167.0° | 180.0° |
| C10 | C09 | C08 | H6 | 67.6° | 60.0° |
| C10 | C09 | C08 | H7 | 171.9° | 60.0° |
| C10 | C09 | H8 | H9 | 119.6° | 120.0° |
| C09 | C10 | H10 | H11 | 120.4° | 120.0° |
| O34 | S11 | C10 | N12 | 122.7° | 111.6° |
| O34 | S11 | N12 | C13 | 112.3° | 52.7° |
| O34 | S11 | C10 | H10 | 164.2° | 171.6° |
| O34 | S11 | C10 | H11 | 75.5° | 51.6° |
| O34 | S11 | N12 | H38 | 126.4° | 127.2° |
| O33 | C21 | C13 | N12 | 36.7° | 0.0° |
| O33 | C21 | C13 | C14 | 84.9° | 120.0° |
| O33 | C21 | C13 | H12 | 157.8° | 120.0° |
| O33 | C21 | N22 | H39 | 177.3° | 180.0° |
| C21 | C13 | N12 | S11 | 67.7° | 97.0° |
| C21 | C13 | N12 | C14 | 120.1° | 120.0° |
| C21 | C13 | N12 | H12 | 120.2° | 120.0° |
| C21 | C13 | C14 | H12 | 117.1° | 120.0° |
| C21 | C13 | C14 | C15 | 171.2° | 176.2° |
| C21 | C13 | C14 | H13 | 68.2° | 63.7° |
| C21 | C13 | C14 | H14 | 50.5° | 56.2° |
| C21 | C13 | N12 | H38 | 171.0° | 83.1° |
| C13 | C21 | N22 | H39 | 1.3° | 0.1° |
| C10 | S11 | N12 | C13 | 121.9° | 63.3° |
| S11 | C10 | C09 | H8 | 88.8° | 60.0° |
| S11 | C10 | C09 | H9 | 31.0° | 60.0° |
| S11 | C10 | H10 | H11 | 120.3° | 120.0° |
| C10 | S11 | N12 | H38 | 0.6° | 116.8° |
| S11 | N12 | C13 | H38 | 121.3° | 179.9° |
| S11 | N12 | C13 | C14 | 172.3° | 142.9° |
| N12 | S11 | C10 | H10 | 73.1° | 60.0° |
| N12 | S11 | C10 | H11 | 47.1° | 60.1° |
| S11 | N12 | C13 | H12 | 52.5° | 22.9° |
| N12 | C13 | C14 | H12 | 120.5° | 120.0° |
| N12 | C13 | C14 | C15 | 66.4° | 63.8° |
| N12 | C13 | C14 | H13 | 54.3° | 56.3° |
| N12 | C13 | C14 | H14 | 172.9° | 176.2° |
| C13 | C14 | C15 | H13 | 120.7° | 120.0° |
| C13 | C14 | C15 | H14 | 120.7° | 120.0° |
| C13 | C14 | C15 | C16 | 65.6° | 65.2° |
| C13 | C14 | C15 | C20 | 173.5° | 174.8° |
| C13 | C14 | H13 | H14 | 118.0° | 120.0° |
| C13 | C14 | C15 | H15 | 54.2° | 54.8° |
| C14 | C13 | N12 | H38 | 50.9° | 37.0° |
| C14 | C15 | C16 | C20 | 118.3° | 120.0° |
| C14 | C15 | C16 | H15 | 119.9° | 120.1° |
| C14 | C15 | C16 | C17 | 174.7° | 180.0° |
| C14 | C15 | C20 | H15 | 119.4° | 120.0° |
| C14 | C15 | C20 | C19 | 175.3° | 180.0° |
| C15 | C14 | C13 | H12 | 54.1° | 56.2° |
| C15 | C14 | H13 | H14 | 117.9° | 120.0° |
| C14 | C15 | C16 | H16 | 54.4° | 60.0° |
| C14 | C15 | C16 | H17 | 65.0° | 60.0° |
| C14 | C15 | C20 | H24 | 64.5° | 60.0° |
| C14 | C15 | C20 | H25 | 55.0° | 60.0° |
| C15 | C16 | C17 | H16 | 120.3° | 120.0° |
| C15 | C16 | C17 | H17 | 120.3° | 120.0° |
| C16 | C15 | C20 | H15 | 122.0° | 120.0° |
| C15 | C16 | C17 | C18 | 52.7° | 60.0° |
| C16 | C15 | C20 | C19 | 56.7° | 60.0° |
| C16 | C15 | C14 | H13 | 173.7° | 174.7° |
| C16 | C15 | C14 | H14 | 55.0° | 54.8° |
| C15 | C16 | H16 | H17 | 119.1° | 120.0° |
| C15 | C16 | C17 | H18 | 173.0° | 180.0° |
| C15 | C16 | C17 | H19 | 67.6° | 60.0° |
| C16 | C15 | C20 | H24 | 176.9° | 180.0° |
| C16 | C15 | C20 | H25 | 63.6° | 60.0° |
| C17 | C16 | C15 | C20 | 56.4° | 60.0° |
| C16 | C17 | C18 | H18 | 120.3° | 120.0° |
| C16 | C17 | C18 | H19 | 120.3° | 120.0° |
| C16 | C17 | C18 | C19 | 51.0° | 60.0° |
| C17 | C16 | C15 | H15 | 65.5° | 59.9° |
| C17 | C16 | H16 | H17 | 119.1° | 120.0° |
| C16 | C17 | H18 | H19 | 119.1° | 120.0° |
| C16 | C17 | C18 | H20 | 69.6° | 60.0° |
| C16 | C17 | C18 | H21 | 171.7° | 180.0° |
| C15 | C20 | C19 | H24 | 120.2° | 120.0° |
| C15 | C20 | C19 | H25 | 120.2° | 120.0° |
| C15 | C20 | C19 | C18 | 53.4° | 60.0° |
| C20 | C15 | C14 | H13 | 52.9° | 54.8° |
| C20 | C15 | C14 | H14 | 65.8° | 65.2° |
| C20 | C15 | C16 | H16 | 64.0° | 60.0° |
| C20 | C15 | C16 | H17 | 176.6° | 180.0° |
| C15 | C20 | C19 | H22 | 66.9° | 180.0° |
| C15 | C20 | C19 | H23 | 173.6° | 60.0° |
| C15 | C20 | H24 | H25 | 119.2° | 120.0° |
| C17 | C18 | C19 | C20 | 51.5° | 60.0° |
| C17 | C18 | C19 | H20 | 120.7° | 120.0° |
| C17 | C18 | C19 | H21 | 120.7° | 120.0° |
| C18 | C17 | C16 | H16 | 67.6° | 60.0° |
| C18 | C17 | C16 | H17 | 173.0° | 180.0° |
| C18 | C17 | H18 | H19 | 119.1° | 120.0° |
| C17 | C18 | H20 | H21 | 117.9° | 120.0° |
| C17 | C18 | C19 | H22 | 68.7° | 180.0° |
| C17 | C18 | C19 | H23 | 171.8° | 60.0° |
| C20 | C19 | C18 | H22 | 120.3° | 120.0° |
| C20 | C19 | C18 | H23 | 120.3° | 120.0° |
| C19 | C20 | C15 | H15 | 65.3° | 60.0° |
| C20 | C19 | C18 | H20 | 69.2° | 60.0° |
| C20 | C19 | C18 | H21 | 172.2° | 180.0° |
| C20 | C19 | H22 | H23 | 119.2° | 120.0° |
| C19 | C20 | H24 | H25 | 119.3° | 120.0° |
| C19 | C18 | C17 | H18 | 171.3° | 180.0° |
| C19 | C18 | C17 | H19 | 69.2° | 60.0° |
| C19 | C18 | H20 | H21 | 117.9° | 120.0° |
| C18 | C19 | H22 | H23 | 119.2° | 120.0° |
| C18 | C19 | C20 | H24 | 173.6° | 180.0° |
| C18 | C19 | C20 | H25 | 66.9° | 60.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.1° |
| H4 | C04 | C05 | H5 | 0.3° | 0.0° |
| H6 | C08 | C09 | H8 | 52.5° | 60.1° |
| H6 | C08 | C09 | H9 | 172.3° | 180.0° |
| H7 | C08 | C09 | H8 | 68.0° | 180.0° |
| H7 | C08 | C09 | H9 | 51.8° | 60.0° |
| H8 | C09 | C10 | H10 | 151.3° | 180.0° |
| H8 | C09 | C10 | H11 | 31.0° | 60.0° |
| H9 | C09 | C10 | H10 | 88.9° | 60.0° |
| H9 | C09 | C10 | H11 | 150.8° | 179.9° |
| H12 | C13 | C14 | H13 | 174.7° | 176.3° |
| H12 | C13 | C14 | H14 | 66.6° | 63.8° |
| H12 | C13 | N12 | H38 | 68.8° | 157.0° |
| H13 | C14 | C15 | H15 | 66.4° | 65.2° |
| H14 | C14 | C15 | H15 | 174.9° | 174.8° |
| H15 | C15 | C16 | H16 | 174.2° | 179.9° |
| H15 | C15 | C16 | H17 | 54.8° | 60.0° |
| H15 | C15 | C20 | H24 | 55.0° | 60.1° |
| H15 | C15 | C20 | H25 | 174.4° | 179.9° |
| H16 | C16 | C17 | H18 | 52.7° | 60.0° |
| H16 | C16 | C17 | H19 | 172.1° | NaN° |
| H17 | C16 | C17 | H18 | 66.7° | 60.0° |
| H17 | C16 | C17 | H19 | 52.7° | 60.0° |
| H18 | C17 | C18 | H20 | 50.7° | 60.0° |
| H18 | C17 | C18 | H21 | 68.0° | 60.0° |
| H19 | C17 | C18 | H20 | 170.1° | 180.0° |
| H19 | C17 | C18 | H21 | 51.4° | 60.0° |
| H20 | C18 | C19 | H22 | 170.6° | 60.0° |
| H20 | C18 | C19 | H23 | 51.1° | 180.0° |
| H21 | C18 | C19 | H22 | 52.0° | 60.0° |
| H21 | C18 | C19 | H23 | 67.5° | 60.0° |
| H22 | C19 | C20 | H24 | 53.4° | 60.0° |
| H22 | C19 | C20 | H25 | 172.9° | 60.0° |
| H23 | C19 | C20 | H24 | 66.1° | 60.0° |
| H23 | C19 | C20 | H25 | 53.4° | 180.0° |
| H26 | C23 | C24 | H27 | 65.4° | 176.0° |
| H26 | C23 | C24 | H28 | 176.9° | 63.9° |
| H26 | C23 | C31 | H34 | 69.2° | 65.0° |
| H26 | C23 | C31 | H35 | 170.5° | 55.0° |
| H26 | C23 | N22 | H39 | 178.9° | 148.5° |
| H27 | C24 | C25 | H29 | 170.1° | 63.3° |
| H28 | C24 | C25 | H29 | 52.4° | 176.7° |
| H29 | C25 | C29 | H32 | 26.7° | 147.8° |
| H29 | C25 | C29 | H33 | 147.7° | 24.1° |
| H30 | C28 | C29 | H32 | 23.1° | 26.3° |
| H30 | C28 | C29 | H33 | 144.2° | 97.5° |
| H30 | C28 | N27 | H40 | 76.0° | 44.1° |
| H31 | C28 | C29 | H32 | 97.9° | 148.2° |
| H31 | C28 | C29 | H33 | 23.2° | 24.4° |
| H31 | C28 | N27 | H40 | 45.1° | 78.0° |
| H34 | C31 | O32 | H41 | 60.1° | 60.0° |
| H35 | C31 | O32 | H41 | 60.1° | 60.0° |
| H36 | C36 | C37 | H37 | 0.4° | 0.1° |
