IS5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | C22 | sing | 1.53Å | 1.54Å | |
| O10 | C06 | doub | 1.21Å | 1.19Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C23 | C25 | sing | 1.51Å | 1.55Å | |
| C22 | C21 | sing | 1.53Å | 1.55Å | |
| C31 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C06 | N07 | sing | 1.34Å | 1.58Å | |
| C06 | C05 | sing | 1.51Å | 1.31Å | |
| C21 | O20 | sing | 1.45Å | 1.42Å | |
| C25 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| N07 | C08 | sing | 1.47Å | 1.56Å | |
| O32 | C19 | doub | 1.22Å | 1.20Å | |
| O20 | C19 | sing | 1.35Å | 1.42Å | |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.53Å | 1.57Å | |
| C05 | C09 | sing | 1.55Å | 1.68Å | |
| C29 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | N18 | sing | 1.35Å | 1.47Å | |
| C27 | F28 | sing | 1.35Å | 1.37Å | |
| C16 | C15 | sing | 1.53Å | 1.55Å | |
| C08 | C09 | sing | 1.54Å | 1.30Å | |
| C04 | C03 | sing | 1.53Å | 1.56Å | |
| N18 | C13 | sing | 1.46Å | 1.44Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| N11 | C12 | sing | 1.35Å | 1.48Å | |
| N11 | C03 | sing | 1.46Å | 1.46Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C15 | C17 | sing | 1.53Å | 1.56Å | |
| C12 | O33 | doub | 1.21Å | 1.20Å | |
| C03 | C01 | sing | 1.51Å | 1.54Å | |
| C01 | O02 | doub | 1.21Å | 1.41Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C16 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C17 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.08Å | 1.08Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C08 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C09 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C24 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | 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 | |
| N07 | H31 | sing | 0.97Å | 1.00Å | |
| N11 | H32 | sing | 0.97Å | 1.00Å | |
| N18 | H33 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C24 | C22 | 59.8° | 60.0° |
| C24 | C23 | C22 | 60.2° | 60.0° |
| C24 | C23 | C25 | 121.0° | 117.5° |
| C24 | C23 | H24 | 109.6° | 117.6° |
| C23 | C24 | H25 | 120.0° | 117.5° |
| C23 | C24 | H26 | 120.0° | 117.5° |
| C24 | C22 | C23 | 59.9° | 60.0° |
| C24 | C22 | C21 | 120.2° | 117.5° |
| C24 | C22 | H23 | 116.7° | 117.6° |
| C22 | C24 | H25 | 120.0° | 117.5° |
| C22 | C24 | H26 | 120.1° | 117.5° |
| O10 | C06 | N07 | 123.1° | 124.9° |
| O10 | C06 | C05 | 129.9° | 124.9° |
| C22 | C23 | C25 | 136.8° | 117.5° |
| C23 | C22 | C21 | 114.7° | 117.5° |
| C23 | C22 | H23 | 116.8° | 117.5° |
| C22 | C23 | H24 | 109.6° | 117.5° |
| C23 | C25 | C31 | 121.0° | 120.0° |
| C23 | C25 | C26 | 118.8° | 120.0° |
| C25 | C23 | H24 | 109.4° | 115.5° |
| C22 | C21 | O20 | 110.0° | 109.4° |
| C22 | C21 | H21 | 109.4° | 109.4° |
| C22 | C21 | H22 | 109.3° | 109.5° |
| C21 | C22 | H23 | 116.3° | 115.5° |
| C25 | C31 | C30 | 119.6° | 120.0° |
| C31 | C25 | C26 | 120.3° | 120.0° |
| C25 | C31 | H30 | 120.2° | 120.0° |
| C31 | C30 | C29 | 120.0° | 120.0° |
| C31 | C30 | H29 | 120.0° | 120.0° |
| C30 | C31 | H30 | 120.2° | 120.0° |
| N07 | C06 | C05 | 106.9° | 110.1° |
| C06 | N07 | C08 | 105.9° | 111.3° |
| C06 | N07 | H31 | 127.0° | 124.4° |
| C06 | C05 | C04 | 111.6° | 110.5° |
| C06 | C05 | C09 | 106.0° | 104.2° |
| C06 | C05 | H14 | 112.8° | 110.6° |
| C21 | O20 | C19 | 114.8° | 117.0° |
| O20 | C21 | H21 | 109.3° | 109.5° |
| O20 | C21 | H22 | 109.3° | 109.5° |
| C25 | C26 | C27 | 120.1° | 120.0° |
| C25 | C26 | H27 | 120.0° | 120.0° |
| C30 | C29 | C27 | 120.3° | 120.0° |
| C30 | C29 | H28 | 119.9° | 120.0° |
| C29 | C30 | H29 | 120.0° | 120.0° |
| N07 | C08 | C09 | 105.2° | 105.4° |
| N07 | C08 | H15 | 110.5° | 110.3° |
| N07 | C08 | H16 | 110.5° | 110.3° |
| C08 | N07 | H31 | 127.1° | 124.3° |
| O32 | C19 | O20 | 121.7° | 120.0° |
| O32 | C19 | N18 | 119.3° | 120.1° |
| O20 | C19 | N18 | 119.0° | 120.0° |
| C26 | C27 | C29 | 119.7° | 119.9° |
| C26 | C27 | F28 | 119.9° | 120.0° |
| C27 | C26 | H27 | 119.9° | 120.0° |
| C04 | C05 | C09 | 109.5° | 110.5° |
| C05 | C04 | C03 | 116.5° | 109.5° |
| C05 | C04 | H12 | 107.7° | 109.5° |
| C05 | C04 | H13 | 107.7° | 109.5° |
| C04 | C05 | H14 | 109.0° | 110.4° |
| C05 | C09 | C08 | 107.2° | 101.8° |
| C09 | C05 | H14 | 107.7° | 110.5° |
| C05 | C09 | H17 | 110.0° | 110.9° |
| C05 | C09 | H18 | 110.0° | 110.9° |
| C29 | C27 | F28 | 120.4° | 120.1° |
| C27 | C29 | H28 | 119.9° | 120.0° |
| C19 | N18 | C13 | 118.3° | 120.0° |
| C19 | N18 | H33 | 120.8° | 120.0° |
| C16 | C15 | C14 | 111.0° | 109.5° |
| C16 | C15 | C17 | 112.2° | 109.5° |
| C16 | C15 | H2 | 107.9° | 109.5° |
| C15 | C16 | H3 | 109.5° | 109.5° |
| C15 | C16 | H4 | 109.5° | 109.4° |
| C15 | C16 | H5 | 109.5° | 109.5° |
| C09 | C08 | H15 | 110.5° | 110.2° |
| C09 | C08 | H16 | 110.5° | 110.2° |
| C08 | C09 | H17 | 110.0° | 111.0° |
| C08 | C09 | H18 | 110.0° | 111.0° |
| C04 | C03 | N11 | 109.7° | 109.5° |
| C04 | C03 | C01 | 109.7° | 109.5° |
| C04 | C03 | H11 | 108.3° | 109.4° |
| C03 | C04 | H12 | 107.7° | 109.5° |
| C03 | C04 | H13 | 107.7° | 109.4° |
| N18 | C13 | C12 | 107.9° | 109.5° |
| N18 | C13 | C14 | 110.4° | 109.5° |
| N18 | C13 | H1 | 110.3° | 109.5° |
| C13 | N18 | H33 | 120.8° | 120.0° |
| C12 | C13 | C14 | 109.9° | 109.5° |
| C13 | C12 | N11 | 117.6° | 120.0° |
| C13 | C12 | O33 | 119.7° | 120.0° |
| C12 | C13 | H1 | 109.2° | 109.5° |
| C13 | C14 | C15 | 112.4° | 109.5° |
| C14 | C13 | H1 | 109.2° | 109.4° |
| C13 | C14 | H19 | 108.7° | 109.5° |
| C13 | C14 | H20 | 108.7° | 109.5° |
| C12 | N11 | C03 | 121.5° | 120.0° |
| N11 | C12 | O33 | 122.7° | 120.0° |
| C12 | N11 | H32 | 119.2° | 120.0° |
| N11 | C03 | C01 | 110.6° | 109.5° |
| N11 | C03 | H11 | 109.8° | 109.5° |
| C03 | N11 | H32 | 119.3° | 120.0° |
| C14 | C15 | C17 | 110.1° | 109.5° |
| C14 | C15 | H2 | 107.8° | 109.5° |
| C15 | C14 | H19 | 108.8° | 109.4° |
| C15 | C14 | H20 | 108.7° | 109.5° |
| C17 | C15 | H2 | 107.8° | 109.5° |
| C15 | C17 | H6 | 109.5° | 109.4° |
| C15 | C17 | H7 | 109.4° | 109.5° |
| C15 | C17 | H8 | 109.4° | 109.5° |
| C03 | C01 | O02 | 109.3° | 120.0° |
| C03 | C01 | H9 | 125.3° | 120.0° |
| C01 | C03 | H11 | 108.7° | 109.5° |
| O02 | C01 | H9 | 125.4° | 120.0° |
| H3 | C16 | H4 | 109.4° | 109.4° |
| H3 | C16 | H5 | 109.5° | 109.5° |
| H4 | C16 | H5 | 109.5° | 109.4° |
| H6 | C17 | H7 | 109.5° | 109.5° |
| H6 | C17 | H8 | 109.5° | 109.5° |
| H7 | C17 | H8 | 109.5° | 109.5° |
| H12 | C04 | H13 | 109.5° | 109.5° |
| H15 | C08 | H16 | 109.5° | 110.2° |
| H17 | C09 | H18 | 109.5° | 110.9° |
| H19 | C14 | H20 | 109.5° | 109.5° |
| H21 | C21 | H22 | 109.5° | 109.5° |
| H25 | C24 | H26 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C24 | C22 | H25 | 109.4° | 107.5° |
| C23 | C24 | C22 | H26 | 109.4° | 107.5° |
| C24 | C23 | C22 | C25 | 105.0° | 107.5° |
| C24 | C23 | C22 | H24 | 101.9° | 107.6° |
| C24 | C23 | C25 | H24 | 128.8° | 145.8° |
| C23 | C24 | C22 | C21 | 102.8° | 107.5° |
| C24 | C23 | C25 | C31 | 30.0° | 8.3° |
| C24 | C23 | C25 | C26 | 151.1° | 171.4° |
| C23 | C24 | C22 | H23 | 107.0° | 107.5° |
| C23 | C24 | H25 | H26 | 144.8° | 145.7° |
| C24 | C22 | C21 | H23 | 150.3° | 145.7° |
| C24 | C22 | C21 | O20 | 91.5° | 116.3° |
| C24 | C22 | C21 | H21 | 148.5° | 3.7° |
| C24 | C22 | C21 | H22 | 28.6° | 123.7° |
| C22 | C24 | H25 | H26 | 144.8° | 145.7° |
| O10 | C06 | N07 | C05 | 179.2° | 180.0° |
| O10 | C06 | N07 | C08 | 179.1° | 179.6° |
| O10 | C06 | C05 | C04 | 46.5° | 45.1° |
| O10 | C06 | C05 | C09 | 165.7° | 163.8° |
| O10 | C06 | C05 | H14 | 76.7° | 77.5° |
| O10 | C06 | N07 | H31 | 0.9° | 0.4° |
| C22 | C23 | C25 | H24 | 153.1° | 145.6° |
| C23 | C22 | C21 | H23 | 141.5° | 145.6° |
| C22 | C23 | C25 | C31 | 48.2° | 60.3° |
| C23 | C22 | C21 | O20 | 23.2° | 175.1° |
| C22 | C23 | C25 | C26 | 130.7° | 120.0° |
| C23 | C22 | C21 | H21 | 143.3° | 65.0° |
| C23 | C22 | C21 | H22 | 96.9° | 55.1° |
| C25 | C23 | C22 | C21 | 143.0° | 145.0° |
| C23 | C25 | C31 | C26 | 178.9° | 179.7° |
| C23 | C25 | C31 | C30 | 179.4° | 179.8° |
| C23 | C25 | C26 | C27 | 179.6° | 180.0° |
| C25 | C23 | C22 | H23 | 1.7° | 0.1° |
| C25 | C23 | C24 | H25 | 20.0° | 145.1° |
| C25 | C23 | C24 | H26 | 121.1° | 0.0° |
| C23 | C25 | C26 | H27 | 0.4° | 0.1° |
| C23 | C25 | C31 | H30 | 0.6° | 0.0° |
| C22 | C21 | O20 | H21 | 120.1° | 119.9° |
| C22 | C21 | O20 | H22 | 120.1° | 120.0° |
| C22 | C21 | O20 | C19 | 175.4° | 179.9° |
| C22 | C21 | H21 | H22 | 119.8° | 120.0° |
| C21 | C22 | C23 | H24 | 10.1° | 0.0° |
| C21 | C22 | C24 | H25 | 147.7° | 0.0° |
| C21 | C22 | C24 | H26 | 6.6° | 145.1° |
| C25 | C31 | C30 | H30 | 180.0° | 179.8° |
| C25 | C31 | C30 | C29 | 0.1° | 0.5° |
| C31 | C25 | C26 | C27 | 0.7° | 0.3° |
| C31 | C25 | C23 | H24 | 158.7° | 154.1° |
| C31 | C25 | C26 | H27 | 179.3° | 179.8° |
| C25 | C31 | C30 | H29 | 179.9° | 179.8° |
| C30 | C31 | C25 | C26 | 0.5° | 0.5° |
| C31 | C30 | C29 | H29 | 180.0° | 179.8° |
| C31 | C30 | C29 | C27 | 0.2° | 0.2° |
| C31 | C30 | C29 | H28 | 179.8° | 179.8° |
| C06 | N07 | C08 | H31 | 180.0° | 180.0° |
| N07 | C06 | C05 | C04 | 134.3° | 134.9° |
| N07 | C06 | C05 | C09 | 15.2° | 16.2° |
| C06 | N07 | C08 | C09 | 19.9° | 17.0° |
| N07 | C06 | C05 | H14 | 102.5° | 102.5° |
| C06 | N07 | C08 | H15 | 99.5° | 136.0° |
| C06 | N07 | C08 | H16 | 139.2° | 102.0° |
| C05 | C06 | N07 | C08 | 0.1° | 0.4° |
| C06 | C05 | C04 | C09 | 117.1° | 114.8° |
| C06 | C05 | C04 | H14 | 125.3° | 122.7° |
| C06 | C05 | C09 | H14 | 121.0° | 118.9° |
| C06 | C05 | C09 | C08 | 30.0° | 24.8° |
| C06 | C05 | C04 | C03 | 179.4° | 179.5° |
| C06 | C05 | C04 | H12 | 58.4° | 59.5° |
| C06 | C05 | C04 | H13 | 59.6° | 60.5° |
| C06 | C05 | C09 | H17 | 89.7° | 93.3° |
| C06 | C05 | C09 | H18 | 149.7° | 142.9° |
| C05 | C06 | N07 | H31 | 179.9° | 179.6° |
| C21 | O20 | C19 | O32 | 7.2° | 0.0° |
| C21 | O20 | C19 | N18 | 173.4° | 180.0° |
| O20 | C21 | H21 | H22 | 119.7° | 120.0° |
| O20 | C21 | C22 | H23 | 118.3° | 29.5° |
| C25 | C26 | C27 | H27 | 180.0° | 179.9° |
| C25 | C26 | C27 | C29 | 0.4° | 0.0° |
| C25 | C26 | C27 | F28 | 179.4° | 179.9° |
| C26 | C25 | C23 | H24 | 22.4° | 25.6° |
| C26 | C25 | C31 | H30 | 179.5° | 179.7° |
| C30 | C29 | C27 | C26 | 0.1° | 0.0° |
| C30 | C29 | C27 | H28 | 180.0° | 180.0° |
| C30 | C29 | C27 | F28 | 179.9° | 180.0° |
| C29 | C30 | C31 | H30 | 179.9° | 179.7° |
| N07 | C08 | C09 | C05 | 28.2° | 25.4° |
| N07 | C08 | C09 | H15 | 119.3° | 119.0° |
| N07 | C08 | C09 | H16 | 119.3° | 119.1° |
| N07 | C08 | H15 | H16 | 122.0° | 122.1° |
| N07 | C08 | C09 | H17 | 91.4° | 92.7° |
| N07 | C08 | C09 | H18 | 147.8° | 143.5° |
| O32 | C19 | O20 | N18 | 179.4° | 179.9° |
| O32 | C19 | N18 | C13 | 0.8° | 0.0° |
| O32 | C19 | N18 | H33 | 179.2° | 180.0° |
| O20 | C19 | N18 | C13 | 179.8° | 180.0° |
| C19 | O20 | C21 | H21 | 64.5° | 60.0° |
| C19 | O20 | C21 | H22 | 55.3° | 60.0° |
| O20 | C19 | N18 | H33 | 0.2° | 0.1° |
| C26 | C27 | C29 | F28 | 179.8° | 179.9° |
| C26 | C27 | C29 | H28 | 179.9° | 180.0° |
| C04 | C05 | C09 | H14 | 118.4° | 122.5° |
| C04 | C05 | C09 | C08 | 150.5° | 143.5° |
| C05 | C04 | C03 | H12 | 121.0° | 120.0° |
| C05 | C04 | C03 | H13 | 121.0° | 120.0° |
| C05 | C04 | C03 | N11 | 65.8° | 63.5° |
| C05 | C04 | C03 | C01 | 172.5° | 176.5° |
| C05 | C04 | C03 | H11 | 54.0° | 56.4° |
| C05 | C04 | H12 | H13 | 116.8° | 120.0° |
| C04 | C05 | C09 | H17 | 30.9° | 25.3° |
| C04 | C05 | C09 | H18 | 89.8° | 98.4° |
| C05 | C09 | C08 | H17 | 119.6° | 118.1° |
| C05 | C09 | C08 | H18 | 119.6° | 118.1° |
| C09 | C05 | C04 | C03 | 62.3° | 65.7° |
| C09 | C05 | C04 | H12 | 58.7° | 174.3° |
| C09 | C05 | C04 | H13 | 176.6° | 54.2° |
| C05 | C09 | C08 | H15 | 91.1° | 144.4° |
| C05 | C09 | C08 | H16 | 147.6° | 93.7° |
| C05 | C09 | H17 | H18 | 121.0° | 123.8° |
| C29 | C27 | C26 | H27 | 179.6° | 179.9° |
| C27 | C29 | C30 | H29 | 179.8° | 180.0° |
| C19 | N18 | C13 | H33 | 180.0° | 180.0° |
| C19 | N18 | C13 | C12 | 55.2° | 155.0° |
| C19 | N18 | C13 | C14 | 175.3° | 85.0° |
| C19 | N18 | C13 | H1 | 63.9° | 35.0° |
| F28 | C27 | C26 | H27 | 0.6° | 0.0° |
| F28 | C27 | C29 | H28 | 0.1° | 0.1° |
| C16 | C15 | C14 | C13 | 66.2° | 175.0° |
| C16 | C15 | C14 | C17 | 124.7° | 120.0° |
| C16 | C15 | C14 | H2 | 118.0° | 120.0° |
| C16 | C15 | C17 | H2 | 118.6° | 120.0° |
| C15 | C16 | H3 | H4 | 120.0° | 120.0° |
| C15 | C16 | H3 | H5 | 120.0° | 120.1° |
| C15 | C16 | H4 | H5 | 120.0° | 120.0° |
| C16 | C15 | C17 | H6 | 180.0° | 180.0° |
| C16 | C15 | C17 | H7 | 60.0° | 60.0° |
| C16 | C15 | C17 | H8 | 60.0° | 60.0° |
| C16 | C15 | C14 | H19 | 173.4° | 55.0° |
| C16 | C15 | C14 | H20 | 54.2° | 65.0° |
| C08 | C09 | C05 | H14 | 91.0° | 94.1° |
| C09 | C08 | H15 | H16 | 122.0° | 121.9° |
| C08 | C09 | H17 | H18 | 121.1° | 123.9° |
| C09 | C08 | N07 | H31 | 160.1° | 163.0° |
| C04 | C03 | N11 | C12 | 112.0° | 152.7° |
| C04 | C03 | N11 | C01 | 121.1° | 120.0° |
| C04 | C03 | N11 | H11 | 118.9° | 120.0° |
| C04 | C03 | C01 | H11 | 118.3° | 120.0° |
| C04 | C03 | C01 | O02 | 167.3° | 120.0° |
| C04 | C03 | C01 | H9 | 12.7° | 60.0° |
| C03 | C04 | H12 | H13 | 116.8° | 120.0° |
| C03 | C04 | C05 | H14 | 55.3° | 56.8° |
| C04 | C03 | N11 | H32 | 67.9° | 27.2° |
| N18 | C13 | C12 | C14 | 120.4° | 120.0° |
| N18 | C13 | C12 | H1 | 119.9° | 120.0° |
| N18 | C13 | C14 | H1 | 121.4° | 120.0° |
| N18 | C13 | C12 | N11 | 141.1° | 180.0° |
| N18 | C13 | C14 | C15 | 58.6° | 65.0° |
| N18 | C13 | C12 | O33 | 38.2° | 0.0° |
| N18 | C13 | C14 | H19 | 61.8° | 55.0° |
| N18 | C13 | C14 | H20 | 179.1° | 175.0° |
| C12 | C13 | C14 | H1 | 119.7° | 120.0° |
| C13 | C12 | N11 | O33 | 179.3° | 179.9° |
| C13 | C12 | N11 | C03 | 178.8° | 180.0° |
| C12 | C13 | C14 | C15 | 177.5° | 175.0° |
| C12 | C13 | C14 | H19 | 57.0° | 65.1° |
| C12 | C13 | C14 | H20 | 62.1° | 55.0° |
| C13 | C12 | N11 | H32 | 1.2° | 0.1° |
| C12 | C13 | N18 | H33 | 124.7° | 25.0° |
| C14 | C13 | C12 | N11 | 98.4° | 60.0° |
| C13 | C14 | C15 | H19 | 120.4° | 120.0° |
| C13 | C14 | C15 | H20 | 120.4° | 120.0° |
| C13 | C14 | C15 | C17 | 169.1° | 65.0° |
| C14 | C13 | C12 | O33 | 82.2° | 120.0° |
| C13 | C14 | C15 | H2 | 51.8° | 55.0° |
| C13 | C14 | H19 | H20 | 118.7° | 120.0° |
| C14 | C13 | N18 | H33 | 4.7° | 95.0° |
| C12 | N11 | C03 | H32 | 180.0° | 179.9° |
| C12 | N11 | C03 | C01 | 126.8° | 87.3° |
| N11 | C12 | C13 | H1 | 21.3° | 60.0° |
| C12 | N11 | C03 | H11 | 6.9° | 32.8° |
| C03 | N11 | C12 | O33 | 0.5° | 0.1° |
| N11 | C03 | C01 | H11 | 120.6° | 120.0° |
| N11 | C03 | C01 | O02 | 71.6° | 0.0° |
| N11 | C03 | C01 | H9 | 108.4° | 180.0° |
| N11 | C03 | C04 | H12 | 173.2° | 56.4° |
| N11 | C03 | C04 | H13 | 55.2° | 176.4° |
| C14 | C15 | C17 | H2 | 117.3° | 120.0° |
| C15 | C14 | C13 | H1 | 62.8° | 55.0° |
| C14 | C15 | C16 | H3 | 180.0° | 60.0° |
| C14 | C15 | C16 | H4 | 60.0° | 180.0° |
| C14 | C15 | C16 | H5 | 60.0° | 60.0° |
| C14 | C15 | C17 | H6 | 56.0° | 60.0° |
| C14 | C15 | C17 | H7 | 64.1° | 180.0° |
| C14 | C15 | C17 | H8 | 176.0° | 60.0° |
| C15 | C14 | H19 | H20 | 118.7° | 120.0° |
| C17 | C15 | C16 | H3 | 56.4° | 60.0° |
| C17 | C15 | C16 | H4 | 63.5° | 60.0° |
| C17 | C15 | C16 | H5 | 176.5° | 180.0° |
| C15 | C17 | H6 | H7 | 120.0° | 120.0° |
| C15 | C17 | H6 | H8 | 120.0° | 120.0° |
| C15 | C17 | H7 | H8 | 120.0° | 120.0° |
| C17 | C15 | C14 | H19 | 48.6° | 175.0° |
| C17 | C15 | C14 | H20 | 70.5° | 55.0° |
| O33 | C12 | C13 | H1 | 158.1° | 120.1° |
| O33 | C12 | N11 | H32 | 179.5° | 180.0° |
| C03 | C01 | O02 | H9 | 180.0° | 180.0° |
| C01 | C03 | C04 | H12 | 51.5° | 63.5° |
| C01 | C03 | C04 | H13 | 66.5° | 56.5° |
| C01 | C03 | N11 | H32 | 53.2° | 92.8° |
| O02 | C01 | C03 | H11 | 49.0° | 120.1° |
| H1 | C13 | C14 | H19 | 176.7° | 175.0° |
| H1 | C13 | C14 | H20 | 57.6° | 65.0° |
| H1 | C13 | N18 | H33 | 116.1° | 145.0° |
| H2 | C15 | C16 | H3 | 62.1° | 179.9° |
| H2 | C15 | C16 | H4 | 177.9° | 60.0° |
| H2 | C15 | C16 | H5 | 57.9° | 60.0° |
| H2 | C15 | C17 | H6 | 61.4° | 60.0° |
| H2 | C15 | C17 | H7 | 178.6° | 60.0° |
| H2 | C15 | C17 | H8 | 58.6° | 180.0° |
| H2 | C15 | C14 | H19 | 68.7° | 65.0° |
| H2 | C15 | C14 | H20 | 172.2° | 175.0° |
| H3 | C16 | H4 | H5 | 120.0° | 120.0° |
| H6 | C17 | H7 | H8 | 120.0° | 120.0° |
| H9 | C01 | C03 | H11 | 131.0° | 60.0° |
| H11 | C03 | C04 | H12 | 67.0° | 176.4° |
| H11 | C03 | C04 | H13 | 175.0° | 63.6° |
| H11 | C03 | N11 | H32 | 173.2° | 147.2° |
| H12 | C04 | C05 | H14 | 176.3° | 63.2° |
| H13 | C04 | C05 | H14 | 65.7° | 176.7° |
| H14 | C05 | C09 | H17 | 149.3° | 147.8° |
| H14 | C05 | C09 | H18 | 28.6° | 24.0° |
| H15 | C08 | C09 | H17 | 149.3° | 26.3° |
| H15 | C08 | C09 | H18 | 28.5° | 97.5° |
| H15 | C08 | N07 | H31 | 80.5° | 44.0° |
| H16 | C08 | C09 | H17 | 27.9° | 148.2° |
| H16 | C08 | C09 | H18 | 92.8° | 24.4° |
| H16 | C08 | N07 | H31 | 40.8° | 78.0° |
| H21 | C21 | C22 | H23 | 1.8° | 149.4° |
| H22 | C21 | C22 | H23 | 121.7° | 90.6° |
| H23 | C22 | C23 | H24 | 151.3° | 144.9° |
| H23 | C22 | C24 | H25 | 2.4° | 145.0° |
| H23 | C22 | C24 | H26 | 143.6° | 0.1° |
| H24 | C23 | C24 | H25 | 148.7° | 0.0° |
| H24 | C23 | C24 | H26 | 7.6° | 145.1° |
| H28 | C29 | C30 | H29 | 0.2° | 0.0° |
| H29 | C30 | C31 | H30 | 0.1° | 0.1° |
