IRZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C06 | doub | 1.21Å | 1.18Å | |
| C06 | N07 | sing | 1.34Å | 1.59Å | |
| C06 | C05 | sing | 1.51Å | 1.30Å | |
| N07 | C08 | sing | 1.47Å | 1.56Å | |
| C04 | C05 | sing | 1.53Å | 1.57Å | |
| C04 | C03 | sing | 1.53Å | 1.54Å | |
| C05 | C09 | sing | 1.55Å | 1.67Å | |
| O02 | C01 | doub | 1.21Å | 1.41Å | |
| C01 | C03 | sing | 1.51Å | 1.53Å | |
| C03 | N11 | sing | 1.47Å | 1.46Å | |
| C08 | C09 | sing | 1.55Å | 1.28Å | |
| N11 | C12 | sing | 1.35Å | 1.48Å | |
| O32 | C19 | doub | 1.22Å | 1.18Å | |
| C12 | C13 | sing | 1.51Å | 1.53Å | |
| C12 | O33 | doub | 1.21Å | 1.19Å | |
| C13 | N18 | sing | 1.46Å | 1.45Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| C19 | N18 | sing | 1.35Å | 1.47Å | |
| C19 | O20 | sing | 1.35Å | 1.41Å | |
| C17 | C15 | sing | 1.53Å | 1.55Å | |
| C24 | C22 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C21 | O20 | sing | 1.45Å | 1.41Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | C25 | sing | 1.51Å | 1.56Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C26 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| CL28 | C27 | sing | 1.74Å | 1.79Å | |
| C27 | C29 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C16 | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.08Å | 1.08Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| C05 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C17 | 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) |
| O10 | C06 | N07 | 126.7° | 125.0° |
| O10 | C06 | C05 | 127.0° | 124.9° |
| N07 | C06 | C05 | 106.3° | 110.1° |
| C06 | N07 | C08 | 105.4° | 111.3° |
| C06 | N07 | H31 | 127.3° | 124.3° |
| C06 | C05 | C04 | 111.6° | 110.5° |
| C06 | C05 | C09 | 105.7° | 104.2° |
| C06 | C05 | H13 | 112.9° | 110.6° |
| N07 | C08 | C09 | 104.3° | 105.5° |
| N07 | C08 | H14 | 110.7° | 110.2° |
| N07 | C08 | H15 | 110.8° | 110.3° |
| C08 | N07 | H31 | 127.3° | 124.4° |
| C05 | C04 | C03 | 111.7° | 109.5° |
| C04 | C05 | C09 | 110.0° | 110.5° |
| C05 | C04 | H11 | 108.9° | 109.5° |
| C05 | C04 | H12 | 108.9° | 109.5° |
| C04 | C05 | H13 | 108.8° | 110.5° |
| C04 | C03 | C01 | 111.3° | 109.5° |
| C04 | C03 | N11 | 108.5° | 109.5° |
| C04 | C03 | H10 | 109.2° | 109.5° |
| C03 | C04 | H11 | 108.9° | 109.4° |
| C03 | C04 | H12 | 108.9° | 109.5° |
| C05 | C09 | C08 | 106.9° | 101.7° |
| C09 | C05 | H13 | 107.6° | 110.5° |
| C05 | C09 | H16 | 110.1° | 111.0° |
| C05 | C09 | H17 | 110.1° | 111.0° |
| O02 | C01 | C03 | 107.6° | 120.0° |
| O02 | C01 | H8 | 126.2° | 120.0° |
| C01 | C03 | N11 | 108.4° | 109.5° |
| C03 | C01 | H8 | 126.2° | 120.0° |
| C01 | C03 | H10 | 109.3° | 109.4° |
| C03 | N11 | C12 | 121.9° | 120.0° |
| N11 | C03 | H10 | 110.2° | 109.5° |
| C03 | N11 | H32 | 119.0° | 120.0° |
| C09 | C08 | H14 | 110.7° | 110.2° |
| C09 | C08 | H15 | 110.7° | 110.3° |
| C08 | C09 | H16 | 110.1° | 110.9° |
| C08 | C09 | H17 | 110.1° | 110.9° |
| N11 | C12 | C13 | 118.6° | 120.0° |
| N11 | C12 | O33 | 120.6° | 120.0° |
| C12 | N11 | H32 | 119.1° | 120.0° |
| O32 | C19 | N18 | 120.0° | 120.0° |
| O32 | C19 | O20 | 119.8° | 120.0° |
| C13 | C12 | O33 | 120.8° | 120.0° |
| C12 | C13 | N18 | 107.7° | 109.5° |
| C12 | C13 | C14 | 111.7° | 109.4° |
| C12 | C13 | H7 | 108.5° | 109.4° |
| N18 | C13 | C14 | 110.8° | 109.5° |
| C13 | N18 | C19 | 119.4° | 120.0° |
| N18 | C13 | H7 | 109.6° | 109.5° |
| C13 | N18 | H33 | 120.3° | 120.0° |
| C13 | C14 | C15 | 111.3° | 109.5° |
| C13 | C14 | H5 | 109.0° | 109.5° |
| C13 | C14 | H6 | 109.0° | 109.5° |
| C14 | C13 | H7 | 108.5° | 109.5° |
| N18 | C19 | O20 | 120.2° | 120.0° |
| C19 | N18 | H33 | 120.3° | 120.0° |
| C19 | O20 | C21 | 109.6° | 117.0° |
| C17 | C15 | C14 | 112.5° | 109.5° |
| C17 | C15 | C16 | 110.1° | 109.5° |
| C17 | C15 | H4 | 107.8° | 109.5° |
| C15 | C17 | H18 | 109.5° | 109.5° |
| C15 | C17 | H19 | 109.5° | 109.5° |
| C15 | C17 | H20 | 109.5° | 109.5° |
| C22 | C24 | C23 | 60.3° | 60.0° |
| C24 | C22 | C21 | 115.4° | 117.5° |
| C24 | C22 | C23 | 60.1° | 60.0° |
| C24 | C22 | H23 | 118.5° | 117.5° |
| C22 | C24 | H25 | 120.0° | 117.5° |
| C22 | C24 | H26 | 120.0° | 117.5° |
| C24 | C23 | C22 | 59.6° | 60.0° |
| C24 | C23 | C25 | 116.1° | 117.5° |
| C24 | C23 | H24 | 108.9° | 117.5° |
| C23 | C24 | H25 | 119.9° | 117.5° |
| C23 | C24 | H26 | 120.0° | 117.5° |
| O20 | C21 | C22 | 109.7° | 109.5° |
| O20 | C21 | H21 | 109.4° | 109.4° |
| O20 | C21 | H22 | 109.4° | 109.4° |
| C21 | C22 | C23 | 113.3° | 117.5° |
| C22 | C21 | H21 | 109.4° | 109.5° |
| C22 | C21 | H22 | 109.4° | 109.5° |
| C21 | C22 | H23 | 118.1° | 115.5° |
| C14 | C15 | C16 | 110.8° | 109.5° |
| C14 | C15 | H4 | 107.7° | 109.4° |
| C15 | C14 | H5 | 109.0° | 109.5° |
| C15 | C14 | H6 | 109.0° | 109.4° |
| C22 | C23 | C25 | 141.1° | 117.5° |
| C23 | C22 | H23 | 118.3° | 117.5° |
| C22 | C23 | H24 | 108.9° | 117.5° |
| C23 | C25 | C26 | 121.1° | 120.0° |
| C23 | C25 | C31 | 119.0° | 119.9° |
| C25 | C23 | H24 | 108.6° | 115.6° |
| C15 | C16 | H1 | 109.5° | 109.5° |
| C15 | C16 | H2 | 109.5° | 109.5° |
| C15 | C16 | H3 | 109.5° | 109.4° |
| C16 | C15 | H4 | 107.8° | 109.5° |
| C25 | C26 | C27 | 120.1° | 120.0° |
| C26 | C25 | C31 | 119.9° | 120.1° |
| C25 | C26 | H27 | 119.9° | 120.0° |
| C26 | C27 | CL28 | 120.2° | 120.0° |
| C26 | C27 | C29 | 119.8° | 120.0° |
| C27 | C26 | H27 | 120.0° | 120.0° |
| C25 | C31 | C30 | 120.0° | 120.0° |
| C25 | C31 | H30 | 120.1° | 120.0° |
| CL28 | C27 | C29 | 119.9° | 120.0° |
| C27 | C29 | C30 | 120.0° | 120.0° |
| C27 | C29 | H28 | 120.0° | 120.1° |
| C31 | C30 | C29 | 120.2° | 120.0° |
| C31 | C30 | H29 | 119.9° | 120.0° |
| C30 | C31 | H30 | 120.0° | 120.0° |
| C30 | C29 | H28 | 120.0° | 120.0° |
| C29 | C30 | H29 | 119.9° | 120.0° |
| H1 | C16 | H2 | 109.5° | 109.4° |
| H1 | C16 | H3 | 109.5° | 109.5° |
| H2 | C16 | H3 | 109.4° | 109.5° |
| H5 | C14 | H6 | 109.5° | 109.4° |
| H11 | C04 | H12 | 109.5° | 109.5° |
| H14 | C08 | H15 | 109.5° | 110.2° |
| H16 | C09 | H17 | 109.5° | 111.0° |
| H18 | C17 | H19 | 109.4° | 109.4° |
| H18 | C17 | H20 | 109.5° | 109.5° |
| H19 | C17 | H20 | 109.5° | 109.4° |
| H21 | C21 | H22 | 109.5° | 109.4° |
| H25 | C24 | H26 | 109.4° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C06 | N07 | C05 | 178.2° | 179.9° |
| O10 | C06 | N07 | C08 | 179.3° | 179.5° |
| O10 | C06 | C05 | C04 | 44.2° | 45.1° |
| O10 | C06 | C05 | C09 | 163.8° | 163.8° |
| O10 | C06 | C05 | H13 | 78.8° | 77.5° |
| O10 | C06 | N07 | H31 | 0.7° | 0.5° |
| C06 | N07 | C08 | H31 | 180.0° | 180.0° |
| N07 | C06 | C05 | C04 | 137.6° | 134.9° |
| N07 | C06 | C05 | C09 | 18.0° | 16.3° |
| C06 | N07 | C08 | C09 | 21.6° | 17.0° |
| N07 | C06 | C05 | H13 | 99.4° | 102.4° |
| C06 | N07 | C08 | H14 | 97.6° | 136.0° |
| C06 | N07 | C08 | H15 | 140.8° | 102.1° |
| C05 | C06 | N07 | C08 | 1.1° | 0.4° |
| C06 | C05 | C04 | C09 | 117.0° | 114.8° |
| C06 | C05 | C04 | H13 | 125.3° | 122.7° |
| C06 | C05 | C04 | C03 | 179.5° | 179.9° |
| C06 | C05 | C09 | H13 | 121.0° | 118.8° |
| C06 | C05 | C09 | C08 | 34.8° | 24.8° |
| C06 | C05 | C04 | H11 | 59.2° | 60.0° |
| C06 | C05 | C04 | H12 | 60.2° | 60.1° |
| C06 | C05 | C09 | H16 | 84.8° | 93.3° |
| C06 | C05 | C09 | H17 | 154.4° | 142.9° |
| C05 | C06 | N07 | H31 | 178.9° | 179.6° |
| N07 | C08 | C09 | C05 | 31.6° | 25.4° |
| N07 | C08 | C09 | H14 | 119.2° | 119.0° |
| N07 | C08 | C09 | H15 | 119.2° | 119.1° |
| N07 | C08 | H14 | H15 | 122.4° | 122.0° |
| N07 | C08 | C09 | H16 | 88.0° | 92.7° |
| N07 | C08 | C09 | H17 | 151.2° | 143.5° |
| C05 | C04 | C03 | H11 | 120.4° | 120.0° |
| C05 | C04 | C03 | H12 | 120.3° | 120.0° |
| C04 | C05 | C09 | H13 | 118.4° | 122.6° |
| C05 | C04 | C03 | C01 | 172.7° | 176.3° |
| C05 | C04 | C03 | N11 | 68.1° | 63.7° |
| C04 | C05 | C09 | C08 | 155.4° | 143.5° |
| C05 | C04 | C03 | H10 | 52.0° | 56.4° |
| C05 | C04 | H11 | H12 | 118.9° | 120.0° |
| C04 | C05 | C09 | H16 | 35.8° | 25.4° |
| C04 | C05 | C09 | H17 | 85.0° | 98.5° |
| C03 | C04 | C05 | C09 | 62.5° | 65.3° |
| C04 | C03 | C01 | O02 | 49.2° | 120.0° |
| C04 | C03 | C01 | N11 | 119.2° | 120.0° |
| C04 | C03 | C01 | H10 | 120.7° | 120.0° |
| C04 | C03 | N11 | H10 | 119.5° | 120.0° |
| C04 | C03 | N11 | C12 | 134.7° | 157.9° |
| C04 | C03 | C01 | H8 | 130.7° | 60.0° |
| C03 | C04 | H11 | H12 | 119.0° | 120.0° |
| C03 | C04 | C05 | H13 | 55.2° | 57.2° |
| C04 | C03 | N11 | H32 | 45.3° | 22.1° |
| C05 | C09 | C08 | H16 | 119.6° | 118.1° |
| C05 | C09 | C08 | H17 | 119.6° | 118.1° |
| C09 | C05 | C04 | H11 | 57.9° | 174.7° |
| C09 | C05 | C04 | H12 | 177.2° | 54.7° |
| C05 | C09 | C08 | H14 | 87.6° | 144.4° |
| C05 | C09 | C08 | H15 | 150.8° | 93.7° |
| C05 | C09 | H16 | H17 | 121.2° | 123.9° |
| O02 | C01 | C03 | H8 | 180.0° | 180.0° |
| O02 | C01 | C03 | N11 | 168.5° | 0.0° |
| O02 | C01 | C03 | H10 | 71.4° | 120.0° |
| C01 | C03 | N11 | H10 | 119.6° | 120.0° |
| C01 | C03 | N11 | C12 | 104.4° | 82.1° |
| C01 | C03 | C04 | H11 | 52.4° | 63.6° |
| C01 | C03 | C04 | H12 | 67.0° | 56.3° |
| C01 | C03 | N11 | H32 | 75.6° | 97.9° |
| C03 | N11 | C12 | H32 | 180.0° | 180.0° |
| C03 | N11 | C12 | C13 | 179.5° | 175.3° |
| C03 | N11 | C12 | O33 | 1.4° | 4.9° |
| N11 | C03 | C01 | H8 | 11.5° | 180.0° |
| N11 | C03 | C04 | H11 | 171.5° | 56.4° |
| N11 | C03 | C04 | H12 | 52.2° | 176.3° |
| C08 | C09 | C05 | H13 | 86.2° | 94.0° |
| C09 | C08 | H14 | H15 | 122.4° | 121.9° |
| C08 | C09 | H16 | H17 | 121.2° | 123.8° |
| C09 | C08 | N07 | H31 | 158.4° | 162.9° |
| N11 | C12 | C13 | O33 | 179.1° | 179.7° |
| N11 | C12 | C13 | N18 | 123.7° | 160.9° |
| N11 | C12 | C13 | C14 | 114.4° | 79.0° |
| N11 | C12 | C13 | H7 | 5.1° | 40.9° |
| C12 | N11 | C03 | H10 | 15.2° | 37.9° |
| O32 | C19 | N18 | C13 | 17.1° | 5.0° |
| O32 | C19 | N18 | O20 | 178.6° | 180.0° |
| O32 | C19 | O20 | C21 | 67.0° | 0.1° |
| O32 | C19 | N18 | H33 | 162.9° | 175.0° |
| C12 | C13 | N18 | C14 | 122.4° | 120.0° |
| C12 | C13 | N18 | H7 | 117.9° | 119.9° |
| C12 | C13 | C14 | H7 | 119.6° | 119.9° |
| C12 | C13 | N18 | C19 | 52.2° | 151.4° |
| C12 | C13 | C14 | C15 | 168.8° | 65.7° |
| C12 | C13 | C14 | H5 | 48.6° | 54.5° |
| C12 | C13 | C14 | H6 | 70.9° | 174.4° |
| C13 | C12 | N11 | H32 | 0.5° | 4.7° |
| C12 | C13 | N18 | H33 | 127.9° | 28.6° |
| O33 | C12 | C13 | N18 | 55.4° | 19.3° |
| O33 | C12 | C13 | C14 | 66.4° | 100.7° |
| O33 | C12 | C13 | H7 | 174.0° | 139.3° |
| O33 | C12 | N11 | H32 | 178.6° | 175.1° |
| N18 | C13 | C14 | H7 | 120.3° | 120.1° |
| C13 | N18 | C19 | H33 | 180.0° | 180.0° |
| C13 | N18 | C19 | O20 | 164.3° | 174.9° |
| N18 | C13 | C14 | C15 | 48.8° | 174.3° |
| N18 | C13 | C14 | H5 | 71.5° | 65.6° |
| N18 | C13 | C14 | H6 | 169.1° | 54.4° |
| C14 | C13 | N18 | C19 | 174.6° | 88.6° |
| C13 | C14 | C15 | C17 | 45.5° | 66.7° |
| C13 | C14 | C15 | H5 | 120.3° | 120.1° |
| C13 | C14 | C15 | H6 | 120.3° | 120.0° |
| C13 | C14 | C15 | C16 | 169.2° | 173.3° |
| C13 | C14 | C15 | H4 | 73.2° | 53.3° |
| C13 | C14 | H5 | H6 | 119.1° | 120.0° |
| C14 | C13 | N18 | H33 | 5.4° | 91.4° |
| N18 | C19 | O20 | C21 | 111.6° | 180.0° |
| C19 | N18 | C13 | H7 | 65.7° | 31.5° |
| C19 | O20 | C21 | C22 | 169.7° | 180.0° |
| C19 | O20 | C21 | H21 | 70.3° | 59.9° |
| C19 | O20 | C21 | H22 | 49.6° | 60.0° |
| O20 | C19 | N18 | H33 | 15.7° | 5.0° |
| C17 | C15 | C14 | C16 | 123.7° | 120.1° |
| C17 | C15 | C14 | H4 | 118.7° | 120.0° |
| C17 | C15 | C16 | H4 | 117.3° | 120.0° |
| C17 | C15 | C16 | H1 | 180.0° | 180.0° |
| C17 | C15 | C16 | H2 | 60.0° | 60.0° |
| C17 | C15 | C16 | H3 | 60.0° | 60.0° |
| C17 | C15 | C14 | H5 | 165.8° | 173.2° |
| C17 | C15 | C14 | H6 | 74.8° | 53.3° |
| C15 | C17 | H18 | H19 | 120.0° | 120.1° |
| C15 | C17 | H18 | H20 | 120.0° | 120.0° |
| C15 | C17 | H19 | H20 | 120.0° | 120.0° |
| C22 | C24 | C23 | H25 | 109.6° | 107.4° |
| C22 | C24 | C23 | H26 | 109.6° | 107.5° |
| C24 | C22 | C21 | O20 | 147.1° | 116.4° |
| C24 | C22 | C21 | C23 | 66.7° | 68.6° |
| C24 | C22 | C21 | H23 | 148.7° | 145.8° |
| C24 | C22 | C23 | H23 | 108.4° | 107.6° |
| C22 | C24 | C23 | C25 | 135.8° | 107.5° |
| C24 | C22 | C21 | H21 | 92.8° | 3.6° |
| C24 | C22 | C21 | H22 | 27.1° | 123.6° |
| C22 | C24 | C23 | H24 | 101.3° | 107.5° |
| C22 | C24 | H25 | H26 | 144.6° | 145.6° |
| C24 | C23 | C25 | H24 | 123.0° | 145.7° |
| C24 | C23 | C25 | C26 | 0.5° | 8.9° |
| C24 | C23 | C25 | C31 | 179.8° | 171.4° |
| C23 | C24 | H25 | H26 | 144.5° | 145.7° |
| O20 | C21 | C22 | H21 | 120.0° | 120.0° |
| O20 | C21 | C22 | H22 | 120.0° | 120.0° |
| O20 | C21 | C22 | C23 | 146.2° | 174.9° |
| O20 | C21 | H21 | H22 | 119.9° | 119.9° |
| O20 | C21 | C22 | H23 | 1.5° | 29.3° |
| C21 | C22 | C23 | H23 | 144.6° | 144.9° |
| C21 | C22 | C23 | C25 | 158.2° | 145.0° |
| C22 | C21 | H21 | H22 | 119.9° | 120.0° |
| C21 | C22 | C23 | H24 | 5.7° | 0.0° |
| C21 | C22 | C24 | H25 | 6.1° | 0.0° |
| C21 | C22 | C24 | H26 | 147.0° | 145.0° |
| C14 | C15 | C16 | H4 | 117.6° | 120.0° |
| C14 | C15 | C16 | H1 | 55.0° | 60.0° |
| C14 | C15 | C16 | H2 | 65.1° | 179.9° |
| C14 | C15 | C16 | H3 | 175.0° | 60.0° |
| C15 | C14 | H5 | H6 | 119.2° | 119.9° |
| C15 | C14 | C13 | H7 | 71.5° | 54.2° |
| C14 | C15 | C17 | H18 | 180.0° | 174.6° |
| C14 | C15 | C17 | H19 | 60.0° | 65.4° |
| C14 | C15 | C17 | H20 | 60.0° | 54.6° |
| C22 | C23 | C25 | H24 | 163.9° | 145.7° |
| C22 | C23 | C25 | C26 | 73.6° | 59.7° |
| C22 | C23 | C25 | C31 | 106.8° | 120.0° |
| C23 | C22 | C21 | H21 | 26.2° | 65.1° |
| C23 | C22 | C21 | H22 | 93.8° | 55.0° |
| C23 | C25 | C26 | C31 | 179.7° | 179.7° |
| C23 | C25 | C26 | C27 | 180.0° | 180.0° |
| C23 | C25 | C31 | C30 | 180.0° | 179.7° |
| C25 | C23 | C22 | H23 | 13.6° | 0.1° |
| C25 | C23 | C24 | H25 | 114.6° | 145.0° |
| C25 | C23 | C24 | H26 | 26.2° | 0.0° |
| C23 | C25 | C26 | H27 | 0.0° | 0.1° |
| C23 | C25 | C31 | H30 | 0.0° | 0.1° |
| C15 | C16 | H1 | H2 | 120.0° | 120.0° |
| C15 | C16 | H1 | H3 | 120.0° | 120.0° |
| C15 | C16 | H2 | H3 | 120.0° | 120.0° |
| C16 | C15 | C14 | H5 | 70.5° | 53.2° |
| C16 | C15 | C14 | H6 | 48.9° | 66.8° |
| C16 | C15 | C17 | H18 | 55.9° | 54.5° |
| C16 | C15 | C17 | H19 | 64.0° | 174.5° |
| C16 | C15 | C17 | H20 | 175.9° | 65.5° |
| C25 | C26 | C27 | H27 | 180.0° | 179.9° |
| C25 | C26 | C27 | CL28 | 179.8° | 180.0° |
| C25 | C26 | C27 | C29 | 0.1° | 0.0° |
| C26 | C25 | C31 | C30 | 0.3° | 0.6° |
| C26 | C25 | C23 | H24 | 122.6° | 154.6° |
| C26 | C25 | C31 | H30 | 179.7° | 179.7° |
| C27 | C26 | C25 | C31 | 0.4° | 0.3° |
| C26 | C27 | CL28 | C29 | 179.9° | 180.0° |
| C26 | C27 | C29 | C30 | 0.2° | 0.0° |
| C26 | C27 | C29 | H28 | 179.8° | 180.0° |
| C25 | C31 | C30 | H30 | 180.0° | 179.7° |
| C25 | C31 | C30 | C29 | 0.0° | 0.6° |
| C31 | C25 | C23 | H24 | 57.1° | 25.7° |
| C31 | C25 | C26 | H27 | 179.6° | 179.8° |
| C25 | C31 | C30 | H29 | 180.0° | 179.7° |
| CL28 | C27 | C29 | C30 | 179.9° | 180.0° |
| CL28 | C27 | C26 | H27 | 0.2° | 0.1° |
| CL28 | C27 | C29 | H28 | 0.1° | 0.0° |
| C27 | C29 | C30 | C31 | 0.3° | 0.3° |
| C27 | C29 | C30 | H28 | 180.0° | 180.0° |
| C29 | C27 | C26 | H27 | 179.9° | 179.9° |
| C27 | C29 | C30 | H29 | 179.7° | 180.0° |
| C31 | C30 | C29 | H29 | 180.0° | 179.7° |
| C31 | C30 | C29 | H28 | 179.8° | 179.7° |
| C29 | C30 | C31 | H30 | 180.0° | 179.8° |
| H1 | C16 | H2 | H3 | 120.0° | 120.1° |
| H1 | C16 | C15 | H4 | 62.7° | 60.0° |
| H2 | C16 | C15 | H4 | 177.3° | 60.0° |
| H3 | C16 | C15 | H4 | 57.3° | 180.0° |
| H4 | C15 | C14 | H5 | 47.1° | 66.8° |
| H4 | C15 | C14 | H6 | 166.5° | 173.3° |
| H4 | C15 | C17 | H18 | 61.4° | 65.5° |
| H4 | C15 | C17 | H19 | 178.7° | 54.5° |
| H4 | C15 | C17 | H20 | 58.6° | 174.5° |
| H5 | C14 | C13 | H7 | 168.2° | 174.3° |
| H6 | C14 | C13 | H7 | 48.7° | 65.7° |
| H7 | C13 | N18 | H33 | 114.2° | 148.5° |
| H8 | C01 | C03 | H10 | 108.6° | 60.0° |
| H10 | C03 | C04 | H11 | 68.4° | 176.4° |
| H10 | C03 | C04 | H12 | 172.3° | 63.7° |
| H10 | C03 | N11 | H32 | 164.8° | 142.1° |
| H11 | C04 | C05 | H13 | 175.5° | 62.7° |
| H12 | C04 | C05 | H13 | 65.2° | 177.3° |
| H13 | C05 | C09 | H16 | 154.2° | 148.0° |
| H13 | C05 | C09 | H17 | 33.4° | 24.1° |
| H14 | C08 | C09 | H16 | 152.9° | 26.3° |
| H14 | C08 | C09 | H17 | 32.1° | 97.5° |
| H14 | C08 | N07 | H31 | 82.5° | 44.0° |
| H15 | C08 | C09 | H16 | 31.2° | 148.2° |
| H15 | C08 | C09 | H17 | 89.6° | 24.4° |
| H15 | C08 | N07 | H31 | 39.2° | 78.0° |
| H18 | C17 | H19 | H20 | 120.0° | 120.0° |
| H21 | C21 | C22 | H23 | 118.5° | 149.4° |
| H22 | C21 | C22 | H23 | 121.6° | 90.6° |
| H23 | C22 | C23 | H24 | 150.3° | 145.0° |
| H23 | C22 | C24 | H25 | 142.4° | 145.0° |
| H23 | C22 | C24 | H26 | 1.5° | 0.1° |
| H24 | C23 | C24 | H25 | 8.3° | 0.0° |
| H24 | C23 | C24 | H26 | 149.2° | 145.0° |
| H28 | C29 | C30 | H29 | 0.2° | 0.0° |
| H29 | C30 | C31 | H30 | 0.0° | 0.0° |
