IRR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C17 | C15 | sing | 1.53Å | 1.56Å | |
| C27 | C26 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.53Å | 1.58Å | |
| C25 | C23 | sing | 1.53Å | 1.53Å | |
| N18 | C13 | sing | 1.46Å | 1.45Å | |
| N18 | C19 | sing | 1.35Å | 1.38Å | |
| C13 | C12 | sing | 1.51Å | 1.53Å | |
| C23 | C22 | sing | 1.53Å | 1.57Å | |
| C23 | C24 | sing | 1.53Å | 1.52Å | |
| O20 | C19 | sing | 1.35Å | 1.38Å | |
| O20 | C21 | sing | 1.45Å | 1.46Å | |
| C19 | O28 | doub | 1.22Å | 1.24Å | |
| C22 | C21 | sing | 1.53Å | 1.57Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| C12 | O29 | doub | 1.21Å | 1.23Å | |
| C12 | N11 | sing | 1.35Å | 1.36Å | |
| N11 | C03 | sing | 1.47Å | 1.44Å | |
| C03 | C01 | sing | 1.51Å | 1.54Å | |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| C01 | O02 | doub | 1.21Å | 1.42Å | |
| C04 | C05 | sing | 1.53Å | 1.54Å | |
| C05 | C09 | sing | 1.55Å | 1.53Å | |
| C05 | C06 | sing | 1.51Å | 1.56Å | |
| C09 | C08 | sing | 1.55Å | 1.55Å | |
| C08 | N07 | sing | 1.47Å | 1.48Å | |
| C06 | O10 | doub | 1.21Å | 1.21Å | |
| C06 | N07 | sing | 1.34Å | 1.39Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C22 | 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 | |
| C24 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C25 | H11 | sing | 1.09Å | 1.10Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C26 | H13 | sing | 1.09Å | 1.10Å | |
| C26 | H14 | sing | 1.09Å | 1.10Å | |
| C27 | H15 | sing | 1.09Å | 1.10Å | |
| C27 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.09Å | 1.10Å | |
| N11 | H18 | sing | 0.97Å | 1.00Å | |
| C01 | H19 | sing | 1.08Å | 1.08Å | |
| C03 | H21 | sing | 1.09Å | 1.10Å | |
| C04 | H22 | sing | 1.09Å | 1.10Å | |
| C04 | H23 | sing | 1.09Å | 1.10Å | |
| C05 | H24 | sing | 1.09Å | 1.10Å | |
| C08 | H25 | sing | 1.09Å | 1.10Å | |
| C08 | H26 | sing | 1.09Å | 1.10Å | |
| C09 | H27 | sing | 1.09Å | 1.10Å | |
| C09 | H28 | sing | 1.09Å | 1.10Å | |
| C13 | H29 | sing | 1.09Å | 1.10Å | |
| C14 | H30 | sing | 1.09Å | 1.10Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å | |
| C21 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| C23 | H34 | sing | 1.09Å | 1.10Å | |
| N07 | H35 | sing | 0.97Å | 1.00Å | |
| N18 | H36 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C15 | C16 | 111.0° | 109.5° |
| C17 | C15 | C14 | 114.0° | 109.5° |
| C17 | C15 | H1 | 106.6° | 109.5° |
| C15 | C17 | H6 | 109.5° | 109.5° |
| C15 | C17 | H7 | 109.5° | 109.5° |
| C15 | C17 | H8 | 109.5° | 109.5° |
| C27 | C26 | C25 | 114.7° | 109.5° |
| C27 | C26 | H13 | 108.2° | 109.5° |
| C27 | C26 | H14 | 108.1° | 109.5° |
| C26 | C27 | H15 | 109.5° | 109.5° |
| C26 | C27 | H16 | 109.5° | 109.5° |
| C26 | C27 | H17 | 109.5° | 109.5° |
| C16 | C15 | C14 | 111.7° | 109.5° |
| C16 | C15 | H1 | 106.5° | 109.5° |
| C15 | C16 | H3 | 109.5° | 109.5° |
| C15 | C16 | H4 | 109.5° | 109.5° |
| C15 | C16 | H5 | 109.5° | 109.5° |
| C15 | C14 | C13 | 114.0° | 109.5° |
| C14 | C15 | H1 | 106.7° | 109.5° |
| C15 | C14 | H30 | 108.3° | 109.5° |
| C15 | C14 | H31 | 108.3° | 109.5° |
| C26 | C25 | C23 | 117.2° | 109.5° |
| C26 | C25 | H11 | 107.5° | 109.5° |
| C26 | C25 | H12 | 107.5° | 109.5° |
| C25 | C26 | H13 | 108.1° | 109.5° |
| C25 | C26 | H14 | 108.2° | 109.4° |
| C14 | C13 | N18 | 113.3° | 109.5° |
| C14 | C13 | C12 | 108.4° | 109.5° |
| C14 | C13 | H29 | 107.6° | 109.4° |
| C13 | C14 | H30 | 108.3° | 109.5° |
| C13 | C14 | H31 | 108.4° | 109.4° |
| C25 | C23 | C22 | 119.5° | 117.5° |
| C25 | C23 | C24 | 121.5° | 117.5° |
| C23 | C25 | H11 | 107.5° | 109.5° |
| C23 | C25 | H12 | 107.5° | 109.5° |
| C25 | C23 | H34 | 115.2° | 115.6° |
| C13 | N18 | C19 | 121.2° | 120.0° |
| N18 | C13 | C12 | 110.1° | 109.5° |
| N18 | C13 | H29 | 109.1° | 109.4° |
| C13 | N18 | H36 | 119.4° | 120.0° |
| N18 | C19 | O20 | 122.9° | 120.0° |
| N18 | C19 | O28 | 119.5° | 120.0° |
| C19 | N18 | H36 | 119.4° | 119.9° |
| C13 | C12 | O29 | 117.3° | 120.0° |
| C13 | C12 | N11 | 121.3° | 120.0° |
| C12 | C13 | H29 | 108.2° | 109.5° |
| C22 | C23 | C24 | 59.4° | 60.0° |
| C23 | C22 | C21 | 117.1° | 117.5° |
| C23 | C22 | C24 | 58.8° | 60.0° |
| C23 | C22 | H2 | 115.0° | 117.5° |
| C22 | C23 | H34 | 114.5° | 117.5° |
| C23 | C24 | C22 | 61.8° | 60.0° |
| C23 | C24 | H9 | 119.7° | 117.5° |
| C23 | C24 | H10 | 119.7° | 117.5° |
| C24 | C23 | H34 | 115.3° | 117.5° |
| C19 | O20 | C21 | 120.3° | 117.0° |
| O20 | C19 | O28 | 117.6° | 120.0° |
| O20 | C21 | C22 | 116.3° | 109.5° |
| O20 | C21 | H32 | 107.8° | 109.5° |
| O20 | C21 | H33 | 107.7° | 109.4° |
| C21 | C22 | C24 | 123.4° | 117.5° |
| C21 | C22 | H2 | 114.9° | 115.5° |
| C22 | C21 | H32 | 107.7° | 109.5° |
| C22 | C21 | H33 | 107.7° | 109.5° |
| C24 | C22 | H2 | 115.6° | 117.5° |
| C22 | C24 | H9 | 119.7° | 117.5° |
| C22 | C24 | H10 | 119.7° | 117.5° |
| O29 | C12 | N11 | 121.4° | 120.0° |
| C12 | N11 | C03 | 124.5° | 120.0° |
| C12 | N11 | H18 | 117.8° | 120.0° |
| N11 | C03 | C01 | 109.3° | 109.5° |
| N11 | C03 | C04 | 112.0° | 109.5° |
| C03 | N11 | H18 | 117.7° | 119.9° |
| N11 | C03 | H21 | 109.4° | 109.4° |
| C01 | C03 | C04 | 109.8° | 109.5° |
| C03 | C01 | O02 | 108.9° | 120.0° |
| C03 | C01 | H19 | 125.5° | 120.0° |
| C01 | C03 | H21 | 108.1° | 109.5° |
| C03 | C04 | C05 | 114.3° | 109.5° |
| C04 | C03 | H21 | 108.2° | 109.5° |
| C03 | C04 | H22 | 108.3° | 109.5° |
| C03 | C04 | H23 | 108.3° | 109.5° |
| O02 | C01 | H19 | 125.5° | 120.0° |
| C04 | C05 | C09 | 109.7° | 110.5° |
| C04 | C05 | C06 | 116.8° | 110.5° |
| C05 | C04 | H22 | 108.3° | 109.4° |
| C05 | C04 | H23 | 108.2° | 109.4° |
| C04 | C05 | H24 | 109.8° | 110.4° |
| C09 | C05 | C06 | 100.5° | 104.2° |
| C05 | C09 | C08 | 107.9° | 101.7° |
| C09 | C05 | H24 | 110.0° | 110.5° |
| C05 | C09 | H27 | 109.9° | 111.0° |
| C05 | C09 | H28 | 109.9° | 111.0° |
| C05 | C06 | O10 | 122.3° | 125.0° |
| C05 | C06 | N07 | 113.1° | 110.1° |
| C06 | C05 | H24 | 109.5° | 110.6° |
| C09 | C08 | N07 | 105.6° | 105.5° |
| C09 | C08 | H25 | 110.4° | 110.2° |
| C09 | C08 | H26 | 110.4° | 110.3° |
| C08 | C09 | H27 | 109.8° | 111.0° |
| C08 | C09 | H28 | 109.9° | 110.9° |
| C08 | N07 | C06 | 109.2° | 111.3° |
| N07 | C08 | H25 | 110.4° | 110.2° |
| N07 | C08 | H26 | 110.4° | 110.3° |
| C08 | N07 | H35 | 125.4° | 124.4° |
| O10 | C06 | N07 | 124.6° | 125.0° |
| C06 | N07 | H35 | 125.4° | 124.3° |
| H3 | C16 | H4 | 109.4° | 109.5° |
| 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° | 109.4° |
| H7 | C17 | H8 | 109.5° | 109.5° |
| H9 | C24 | H10 | 109.5° | 115.5° |
| H11 | C25 | H12 | 109.5° | 109.4° |
| H13 | C26 | H14 | 109.5° | 109.5° |
| H15 | C27 | H16 | 109.5° | 109.5° |
| H15 | C27 | H17 | 109.4° | 109.5° |
| H16 | C27 | H17 | 109.5° | 109.5° |
| H22 | C04 | H23 | 109.4° | 109.5° |
| H25 | C08 | H26 | 109.4° | 110.2° |
| H27 | C09 | H28 | 109.5° | 110.9° |
| H30 | C14 | H31 | 109.4° | 109.5° |
| H32 | C21 | H33 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C15 | C16 | C14 | 128.3° | 120.0° |
| C17 | C15 | C16 | H1 | 115.6° | 120.0° |
| C17 | C15 | C14 | H1 | 117.3° | 120.0° |
| C17 | C15 | C14 | C13 | 167.1° | 65.0° |
| C17 | C15 | C16 | H3 | 180.0° | 60.0° |
| C17 | C15 | C16 | H4 | 60.0° | 60.0° |
| C17 | C15 | C16 | H5 | 60.0° | 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 | H30 | 72.3° | 55.1° |
| C17 | C15 | C14 | H31 | 46.4° | 175.1° |
| C27 | C26 | C25 | H13 | 120.8° | 120.0° |
| C27 | C26 | C25 | H14 | 120.8° | 120.0° |
| C27 | C26 | C25 | C23 | 15.3° | 180.0° |
| C27 | C26 | C25 | H11 | 105.8° | 60.0° |
| C27 | C26 | C25 | H12 | 136.5° | 59.9° |
| C27 | C26 | H13 | H14 | 117.6° | 120.0° |
| C26 | C27 | H15 | H16 | 120.0° | 120.0° |
| C26 | C27 | H15 | H17 | 120.0° | 120.0° |
| C26 | C27 | H16 | H17 | 120.0° | 120.0° |
| C16 | C15 | C14 | H1 | 116.0° | 120.0° |
| C16 | C15 | C14 | C13 | 66.2° | 175.0° |
| 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° | 60.0° |
| C16 | C15 | C17 | H7 | 60.0° | 180.0° |
| C16 | C15 | C17 | H8 | 60.0° | 60.0° |
| C16 | C15 | C14 | H30 | 54.5° | 65.0° |
| C16 | C15 | C14 | H31 | 173.1° | 55.0° |
| C15 | C14 | C13 | H30 | 120.7° | 120.0° |
| C15 | C14 | C13 | H31 | 120.7° | 120.0° |
| C15 | C14 | C13 | N18 | 71.0° | 65.0° |
| C15 | C14 | C13 | C12 | 166.5° | 175.0° |
| C14 | C15 | C16 | H3 | 51.7° | 60.0° |
| C14 | C15 | C16 | H4 | 171.7° | 180.0° |
| C14 | C15 | C16 | H5 | 68.3° | 60.0° |
| C14 | C15 | C17 | H6 | 52.9° | 60.0° |
| C14 | C15 | C17 | H7 | 67.1° | 60.0° |
| C14 | C15 | C17 | H8 | 172.9° | 180.0° |
| C15 | C14 | C13 | H29 | 49.7° | 55.0° |
| C15 | C14 | H30 | H31 | 117.9° | 120.0° |
| C26 | C25 | C23 | H11 | 121.1° | 120.0° |
| C26 | C25 | C23 | H12 | 121.1° | 120.0° |
| C26 | C25 | C23 | C22 | 119.8° | 175.0° |
| C26 | C25 | C23 | C24 | 170.0° | 116.4° |
| C26 | C25 | H11 | H12 | 116.5° | 120.0° |
| C25 | C26 | H13 | H14 | 117.6° | 120.0° |
| C25 | C26 | C27 | H15 | 180.0° | 60.0° |
| C25 | C26 | C27 | H16 | 60.0° | 180.0° |
| C25 | C26 | C27 | H17 | 60.0° | 60.0° |
| C26 | C25 | C23 | H34 | 22.6° | 29.3° |
| C14 | C13 | N18 | C12 | 121.6° | 120.0° |
| C14 | C13 | N18 | H29 | 119.8° | 119.9° |
| C14 | C13 | N18 | C19 | 178.0° | 85.0° |
| C14 | C13 | C12 | H29 | 116.4° | 120.0° |
| C14 | C13 | C12 | O29 | 89.3° | 120.0° |
| C14 | C13 | C12 | N11 | 91.6° | 60.0° |
| C13 | C14 | C15 | H1 | 49.8° | 55.0° |
| C13 | C14 | H30 | H31 | 118.0° | 120.0° |
| C14 | C13 | N18 | H36 | 2.0° | 95.0° |
| C25 | C23 | C22 | C24 | 111.3° | 107.5° |
| C25 | C23 | C22 | H34 | 142.7° | 145.0° |
| C25 | C23 | C24 | H34 | 147.4° | 145.0° |
| C25 | C23 | C22 | C21 | 134.3° | 145.0° |
| C25 | C23 | C22 | H2 | 5.3° | 0.0° |
| C25 | C23 | C24 | H9 | 2.0° | 145.0° |
| C25 | C23 | C24 | H10 | 142.1° | 0.0° |
| C23 | C25 | H11 | H12 | 116.5° | 120.0° |
| C23 | C25 | C26 | H13 | 136.1° | 60.0° |
| C23 | C25 | C26 | H14 | 105.4° | 60.0° |
| C13 | N18 | C19 | H36 | 180.0° | 180.0° |
| N18 | C13 | C12 | H29 | 119.2° | 120.0° |
| C13 | N18 | C19 | O20 | 171.4° | 180.0° |
| C13 | N18 | C19 | O28 | 7.6° | 0.0° |
| N18 | C13 | C12 | O29 | 35.1° | 0.0° |
| N18 | C13 | C12 | N11 | 143.9° | 180.0° |
| N18 | C13 | C14 | H30 | 168.3° | 175.0° |
| N18 | C13 | C14 | H31 | 49.7° | 55.0° |
| C19 | N18 | C13 | C12 | 56.4° | 155.0° |
| N18 | C19 | O20 | O28 | 179.0° | 180.0° |
| N18 | C19 | O20 | C21 | 169.6° | 180.0° |
| C19 | N18 | C13 | H29 | 62.2° | 35.0° |
| C13 | C12 | O29 | N11 | 179.0° | 180.0° |
| C13 | C12 | N11 | C03 | 179.9° | 180.0° |
| C13 | C12 | N11 | H18 | 0.1° | 0.1° |
| C12 | C13 | C14 | H30 | 45.8° | 55.0° |
| C12 | C13 | C14 | H31 | 72.9° | 65.0° |
| C12 | C13 | N18 | H36 | 123.6° | 25.0° |
| C22 | C23 | C24 | H34 | 104.7° | 107.5° |
| C23 | C22 | C21 | O20 | 63.7° | 175.0° |
| C23 | C22 | C21 | C24 | 69.0° | 68.6° |
| C23 | C22 | C21 | H2 | 139.5° | 145.7° |
| C23 | C22 | C24 | H2 | 104.9° | 107.5° |
| C22 | C23 | C24 | H9 | 110.0° | 107.5° |
| C22 | C23 | C24 | H10 | 109.9° | 107.5° |
| C22 | C23 | C25 | H11 | 1.3° | 55.0° |
| C22 | C23 | C25 | H12 | 119.1° | 65.0° |
| C23 | C22 | C21 | H32 | 57.3° | 65.0° |
| C23 | C22 | C21 | H33 | 175.4° | 55.0° |
| C23 | C24 | H9 | H10 | 143.8° | 145.7° |
| C24 | C23 | C25 | H11 | 68.8° | 123.6° |
| C24 | C23 | C25 | H12 | 48.9° | 3.6° |
| C19 | O20 | C21 | C22 | 165.0° | 180.0° |
| C19 | O20 | C21 | H32 | 44.0° | 60.0° |
| C19 | O20 | C21 | H33 | 74.1° | 60.0° |
| O20 | C19 | N18 | H36 | 8.6° | 0.0° |
| C21 | O20 | C19 | O28 | 9.4° | 0.0° |
| O20 | C21 | C22 | H32 | 121.0° | 120.0° |
| O20 | C21 | C22 | H33 | 121.0° | 120.0° |
| O20 | C21 | C22 | C24 | 132.6° | 116.4° |
| O20 | C21 | C22 | H2 | 75.9° | 29.3° |
| O20 | C21 | H32 | H33 | 116.9° | 120.0° |
| O28 | C19 | N18 | H36 | 172.4° | 180.0° |
| C21 | C22 | C24 | H2 | 151.3° | 145.0° |
| C21 | C22 | C24 | H9 | 146.3° | 0.1° |
| C21 | C22 | C24 | H10 | 6.2° | 145.0° |
| C22 | C21 | H32 | H33 | 116.9° | 120.0° |
| C21 | C22 | C23 | H34 | 8.4° | 0.0° |
| C22 | C24 | H9 | H10 | 143.8° | 145.6° |
| C24 | C22 | C21 | H32 | 11.6° | 3.6° |
| C24 | C22 | C21 | H33 | 106.4° | 123.6° |
| O29 | C12 | N11 | C03 | 0.9° | 0.0° |
| O29 | C12 | N11 | H18 | 179.1° | 179.9° |
| O29 | C12 | C13 | H29 | 154.3° | 120.0° |
| C12 | N11 | C03 | H18 | 180.0° | 179.9° |
| C12 | N11 | C03 | C01 | 126.5° | 86.9° |
| C12 | N11 | C03 | C04 | 111.6° | 153.0° |
| C12 | N11 | C03 | H21 | 8.3° | 33.1° |
| N11 | C12 | C13 | H29 | 24.7° | 60.0° |
| N11 | C03 | C01 | C04 | 123.2° | 120.0° |
| N11 | C03 | C01 | H21 | 119.0° | 120.0° |
| N11 | C03 | C04 | H21 | 120.6° | 120.0° |
| N11 | C03 | C01 | O02 | 175.1° | 0.0° |
| N11 | C03 | C04 | C05 | 62.7° | 65.0° |
| N11 | C03 | C01 | H19 | 4.9° | 180.0° |
| N11 | C03 | C04 | H22 | 58.0° | 55.0° |
| N11 | C03 | C04 | H23 | 176.6° | 175.0° |
| C01 | C03 | C04 | H21 | 117.8° | 120.0° |
| C03 | C01 | O02 | H19 | 180.0° | 180.0° |
| C01 | C03 | C04 | C05 | 175.7° | 175.0° |
| C01 | C03 | N11 | H18 | 53.6° | 93.2° |
| C01 | C03 | C04 | H22 | 63.6° | 65.1° |
| C01 | C03 | C04 | H23 | 55.0° | 55.0° |
| C04 | C03 | C01 | O02 | 61.7° | 120.0° |
| C03 | C04 | C05 | H22 | 120.7° | 120.0° |
| C03 | C04 | C05 | H23 | 120.7° | 120.0° |
| C03 | C04 | C05 | C09 | 59.5° | 65.0° |
| C03 | C04 | C05 | C06 | 173.0° | 179.8° |
| C04 | C03 | N11 | H18 | 68.4° | 26.9° |
| C04 | C03 | C01 | H19 | 118.3° | 60.0° |
| C03 | C04 | H22 | H23 | 117.8° | 120.1° |
| C03 | C04 | C05 | H24 | 61.5° | 57.5° |
| O02 | C01 | C03 | H21 | 56.1° | 120.0° |
| C04 | C05 | C09 | C06 | 123.6° | 118.6° |
| C04 | C05 | C09 | H24 | 120.9° | 122.5° |
| C04 | C05 | C06 | H24 | 125.6° | 122.6° |
| C04 | C05 | C09 | C08 | 141.4° | 143.5° |
| C04 | C05 | C06 | O10 | 49.6° | 45.1° |
| C04 | C05 | C06 | N07 | 129.9° | 134.9° |
| C05 | C04 | C03 | H21 | 57.9° | 54.9° |
| C05 | C04 | H22 | H23 | 117.8° | 119.9° |
| C04 | C05 | C09 | H27 | 21.6° | 25.4° |
| C04 | C05 | C09 | H28 | 98.8° | 98.5° |
| C09 | C05 | C06 | H24 | 115.8° | 118.8° |
| C05 | C09 | C08 | H27 | 119.8° | 118.1° |
| C05 | C09 | C08 | H28 | 119.8° | 118.1° |
| C05 | C09 | C08 | N07 | 19.0° | 25.5° |
| C09 | C05 | C06 | O10 | 168.3° | 163.7° |
| C09 | C05 | C06 | N07 | 11.3° | 16.3° |
| C09 | C05 | C04 | H22 | 179.8° | 174.9° |
| C09 | C05 | C04 | H23 | 61.3° | 55.0° |
| C05 | C09 | C08 | H25 | 138.4° | 144.5° |
| C05 | C09 | C08 | H26 | 100.5° | 93.6° |
| C05 | C09 | H27 | H28 | 120.7° | 123.8° |
| C06 | C05 | C09 | C08 | 17.7° | 24.8° |
| C05 | C06 | N07 | C08 | 0.2° | 0.4° |
| C05 | C06 | O10 | N07 | 179.5° | 179.9° |
| C06 | C05 | C04 | H22 | 66.3° | 60.1° |
| C06 | C05 | C04 | H23 | 52.3° | 59.8° |
| C06 | C05 | C09 | H27 | 102.0° | 93.3° |
| C06 | C05 | C09 | H28 | 137.5° | 142.9° |
| C05 | C06 | N07 | H35 | 179.8° | 179.6° |
| C09 | C08 | N07 | H25 | 119.4° | 119.0° |
| C09 | C08 | N07 | H26 | 119.4° | 119.1° |
| C09 | C08 | N07 | C06 | 11.6° | 17.0° |
| C08 | C09 | C05 | H24 | 97.7° | 94.0° |
| C09 | C08 | H25 | H26 | 121.8° | 122.0° |
| C08 | C09 | H27 | H28 | 120.7° | 123.8° |
| C09 | C08 | N07 | H35 | 168.4° | 163.0° |
| C08 | N07 | C06 | O10 | 179.7° | 179.5° |
| C08 | N07 | C06 | H35 | 180.0° | 180.0° |
| N07 | C08 | H25 | H26 | 121.8° | 122.0° |
| N07 | C08 | C09 | H27 | 100.8° | 92.7° |
| N07 | C08 | C09 | H28 | 138.7° | 143.5° |
| O10 | C06 | C05 | H24 | 76.0° | 77.5° |
| O10 | C06 | N07 | H35 | 0.3° | 0.4° |
| N07 | C06 | C05 | H24 | 104.5° | 102.5° |
| C06 | N07 | C08 | H25 | 131.0° | 136.0° |
| C06 | N07 | C08 | H26 | 107.8° | 102.1° |
| H1 | C15 | C16 | H3 | 64.4° | 180.0° |
| H1 | C15 | C16 | H4 | 55.6° | 60.0° |
| H1 | C15 | C16 | H5 | 175.6° | 60.0° |
| H1 | C15 | C17 | H6 | 64.4° | 180.0° |
| H1 | C15 | C17 | H7 | 175.6° | 60.0° |
| H1 | C15 | C17 | H8 | 55.6° | 60.0° |
| H1 | C15 | C14 | H30 | 170.4° | 175.0° |
| H1 | C15 | C14 | H31 | 70.9° | 65.0° |
| H2 | C22 | C24 | H9 | 5.0° | 144.9° |
| H2 | C22 | C24 | H10 | 145.1° | 0.0° |
| H2 | C22 | C21 | H32 | 163.1° | 149.3° |
| H2 | C22 | C21 | H33 | 45.1° | 90.7° |
| H2 | C22 | C23 | H34 | 147.9° | 145.0° |
| H3 | C16 | H4 | H5 | 120.0° | 120.0° |
| H6 | C17 | H7 | H8 | 120.0° | 120.0° |
| H9 | C24 | C23 | H34 | 145.4° | 0.0° |
| H10 | C24 | C23 | H34 | 5.3° | 145.0° |
| H11 | C25 | C26 | H13 | 15.0° | 60.0° |
| H11 | C25 | C26 | H14 | 133.4° | 180.0° |
| H11 | C25 | C23 | H34 | 143.8° | 90.7° |
| H12 | C25 | C26 | H13 | 102.8° | 180.0° |
| H12 | C25 | C26 | H14 | 15.7° | 60.0° |
| H12 | C25 | C23 | H34 | 98.5° | 149.3° |
| H13 | C26 | C27 | H15 | 59.2° | 60.0° |
| H13 | C26 | C27 | H16 | 60.8° | 59.9° |
| H13 | C26 | C27 | H17 | 179.2° | 180.0° |
| H14 | C26 | C27 | H15 | 59.2° | 180.0° |
| H14 | C26 | C27 | H16 | 179.2° | 60.0° |
| H14 | C26 | C27 | H17 | 60.8° | 60.0° |
| H15 | C27 | H16 | H17 | 119.9° | 120.0° |
| H18 | N11 | C03 | H21 | 171.8° | 146.8° |
| H19 | C01 | C03 | H21 | 123.9° | 60.0° |
| H21 | C03 | C04 | H22 | 178.7° | 174.9° |
| H21 | C03 | C04 | H23 | 62.8° | 65.0° |
| H22 | C04 | C05 | H24 | 59.2° | 62.5° |
| H23 | C04 | C05 | H24 | 177.7° | 177.5° |
| H24 | C05 | C09 | H27 | 142.6° | 147.9° |
| H24 | C05 | C09 | H28 | 22.1° | 24.0° |
| H25 | C08 | C09 | H27 | 18.6° | 26.3° |
| H25 | C08 | C09 | H28 | 101.9° | 97.5° |
| H25 | C08 | N07 | H35 | 49.0° | 44.0° |
| H26 | C08 | C09 | H27 | 139.8° | 148.2° |
| H26 | C08 | C09 | H28 | 19.3° | 24.4° |
| H26 | C08 | N07 | H35 | 72.2° | 77.9° |
| H29 | C13 | C14 | H30 | 70.9° | 65.1° |
| H29 | C13 | C14 | H31 | 170.4° | 174.9° |
| H29 | C13 | N18 | H36 | 117.8° | 145.0° |
