IRW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | sing | 1.53Å | 1.49Å | |
| C24 | C22 | sing | 1.53Å | 1.51Å | |
| O10 | C06 | doub | 1.21Å | 1.18Å | |
| C23 | C22 | sing | 1.53Å | 1.58Å | |
| C23 | C25 | sing | 1.51Å | 1.52Å | |
| C06 | N07 | sing | 1.34Å | 1.40Å | |
| C06 | C05 | sing | 1.51Å | 1.55Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C32 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.41Å | Aromatic |
| N07 | C08 | sing | 1.47Å | 1.47Å | |
| C21 | O20 | sing | 1.45Å | 1.44Å | |
| C25 | C26 | sing | 1.38Å | 1.42Å | Aromatic |
| O33 | C19 | doub | 1.22Å | 1.21Å | |
| C31 | C28 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | O20 | sing | 1.35Å | 1.39Å | |
| C19 | N18 | sing | 1.35Å | 1.37Å | |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| C05 | C09 | sing | 1.55Å | 1.55Å | |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | C09 | sing | 1.54Å | 1.55Å | |
| C28 | C27 | sing | 1.39Å | 1.41Å | Aromatic |
| C28 | O29 | sing | 1.36Å | 1.39Å | |
| C17 | C15 | sing | 1.53Å | 1.53Å | |
| C04 | C03 | sing | 1.53Å | 1.58Å | |
| N18 | C13 | sing | 1.46Å | 1.47Å | |
| C30 | O29 | sing | 1.43Å | 1.42Å | |
| C13 | C12 | sing | 1.51Å | 1.56Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| SG | C01 | sing | 1.81Å | 1.81Å | |
| N11 | C12 | sing | 1.35Å | 1.40Å | |
| N11 | C03 | sing | 1.47Å | 1.46Å | |
| C12 | O34 | doub | 1.21Å | 1.19Å | |
| C15 | C14 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.56Å | |
| C03 | C01 | sing | 1.53Å | 1.52Å | |
| C01 | O02 | sing | 1.43Å | 1.39Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C03 | H2 | sing | 1.09Å | 1.10Å | |
| C04 | H3 | sing | 1.09Å | 1.10Å | |
| C04 | H4 | sing | 1.09Å | 1.10Å | |
| C05 | H5 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C15 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| N07 | H33 | sing | 0.97Å | 1.00Å | |
| N11 | H34 | sing | 0.97Å | 1.00Å | |
| N18 | H35 | sing | 0.97Å | 1.00Å | |
| O02 | H36 | sing | 0.97Å | 0.95Å | |
| SG | O2 | sing | 1.52Å | 33.72Å | |
| SG | O1 | doub | 1.42Å | 1.80Å | |
| SG | O3 | doub | 1.42Å | 33.72Å | |
| O2 | H37 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C24 | C22 | 63.5° | 60.0° |
| C24 | C23 | C22 | 58.9° | 60.0° |
| C24 | C23 | C25 | 125.7° | 117.4° |
| C24 | C23 | H23 | 111.0° | 117.6° |
| C23 | C24 | H24 | 119.4° | 117.5° |
| C23 | C24 | H25 | 119.4° | 117.5° |
| C24 | C22 | C23 | 57.6° | 60.0° |
| C24 | C22 | C21 | 125.6° | 117.5° |
| C24 | C22 | H22 | 113.8° | 117.5° |
| C22 | C24 | H24 | 119.4° | 117.5° |
| C22 | C24 | H25 | 119.4° | 117.5° |
| O10 | C06 | N07 | 126.2° | 124.9° |
| O10 | C06 | C05 | 126.1° | 124.9° |
| C22 | C23 | C25 | 131.8° | 117.5° |
| C23 | C22 | C21 | 122.5° | 117.5° |
| C23 | C22 | H22 | 112.7° | 117.5° |
| C22 | C23 | H23 | 109.7° | 117.5° |
| C23 | C25 | C32 | 128.4° | 120.0° |
| C23 | C25 | C26 | 117.8° | 119.9° |
| C25 | C23 | H23 | 110.5° | 115.6° |
| N07 | C06 | C05 | 107.7° | 110.2° |
| C06 | N07 | C08 | 115.0° | 111.3° |
| C06 | N07 | H33 | 122.5° | 124.4° |
| C06 | C05 | C04 | 113.7° | 110.5° |
| C06 | C05 | C09 | 104.0° | 104.2° |
| C06 | C05 | H5 | 107.8° | 110.6° |
| C22 | C21 | O20 | 115.9° | 109.5° |
| C22 | C21 | H20 | 107.8° | 109.4° |
| C22 | C21 | H21 | 107.8° | 109.5° |
| C21 | C22 | H22 | 113.4° | 115.5° |
| C25 | C32 | C31 | 123.6° | 120.1° |
| C32 | C25 | C26 | 113.8° | 120.1° |
| C25 | C32 | H32 | 118.2° | 119.9° |
| C32 | C31 | C28 | 121.4° | 119.9° |
| C32 | C31 | H31 | 119.3° | 120.1° |
| C31 | C32 | H32 | 118.2° | 120.0° |
| N07 | C08 | C09 | 103.6° | 105.5° |
| N07 | C08 | H6 | 110.9° | 110.3° |
| N07 | C08 | H7 | 110.9° | 110.3° |
| C08 | N07 | H33 | 122.5° | 124.4° |
| C21 | O20 | C19 | 116.7° | 117.0° |
| O20 | C21 | H20 | 107.8° | 109.5° |
| O20 | C21 | H21 | 107.9° | 109.5° |
| C25 | C26 | C27 | 123.9° | 120.1° |
| C25 | C26 | H26 | 118.0° | 120.0° |
| O33 | C19 | O20 | 120.7° | 120.0° |
| O33 | C19 | N18 | 120.6° | 120.0° |
| C31 | C28 | C27 | 116.0° | 119.9° |
| C31 | C28 | O29 | 122.7° | 120.1° |
| C28 | C31 | H31 | 119.3° | 120.0° |
| O20 | C19 | N18 | 118.7° | 120.0° |
| C19 | N18 | C13 | 121.4° | 120.0° |
| C19 | N18 | H35 | 119.3° | 120.0° |
| C04 | C05 | C09 | 114.9° | 110.5° |
| C05 | C04 | C03 | 115.5° | 109.5° |
| C05 | C04 | H3 | 107.9° | 109.5° |
| C05 | C04 | H4 | 108.0° | 109.4° |
| C04 | C05 | H5 | 108.2° | 110.5° |
| C05 | C09 | C08 | 107.3° | 101.8° |
| C09 | C05 | H5 | 107.8° | 110.5° |
| C05 | C09 | H8 | 110.0° | 111.0° |
| C05 | C09 | H9 | 110.0° | 111.0° |
| C26 | C27 | C28 | 121.2° | 119.9° |
| C27 | C26 | H26 | 118.1° | 120.0° |
| C26 | C27 | H27 | 119.4° | 120.0° |
| C09 | C08 | H6 | 110.9° | 110.3° |
| C09 | C08 | H7 | 110.9° | 110.2° |
| C08 | C09 | H8 | 110.0° | 110.9° |
| C08 | C09 | H9 | 110.0° | 111.0° |
| C27 | C28 | O29 | 121.3° | 120.0° |
| C28 | C27 | H27 | 119.4° | 120.0° |
| C28 | O29 | C30 | 121.1° | 117.0° |
| C17 | C15 | C14 | 113.7° | 109.4° |
| C17 | C15 | C16 | 110.0° | 109.5° |
| C17 | C15 | H13 | 107.1° | 109.5° |
| C15 | C17 | H17 | 109.5° | 109.5° |
| C15 | C17 | H18 | 109.5° | 109.5° |
| C15 | C17 | H19 | 109.5° | 109.5° |
| C04 | C03 | N11 | 110.6° | 109.4° |
| C04 | C03 | C01 | 110.0° | 109.5° |
| C04 | C03 | H2 | 108.1° | 109.5° |
| C03 | C04 | H3 | 107.9° | 109.5° |
| C03 | C04 | H4 | 108.0° | 109.5° |
| N18 | C13 | C12 | 106.7° | 109.5° |
| N18 | C13 | C14 | 111.2° | 109.5° |
| N18 | C13 | H10 | 110.7° | 109.5° |
| C13 | N18 | H35 | 119.3° | 120.0° |
| O29 | C30 | H28 | 109.5° | 109.5° |
| O29 | C30 | H29 | 109.5° | 109.5° |
| O29 | C30 | H30 | 109.5° | 109.5° |
| C12 | C13 | C14 | 109.3° | 109.5° |
| C13 | C12 | N11 | 116.9° | 120.0° |
| C13 | C12 | O34 | 119.6° | 120.0° |
| C12 | C13 | H10 | 109.3° | 109.4° |
| C13 | C14 | C15 | 113.0° | 109.5° |
| C14 | C13 | H10 | 109.6° | 109.4° |
| C13 | C14 | H11 | 108.6° | 109.4° |
| C13 | C14 | H12 | 108.6° | 109.5° |
| SG | C01 | C03 | 109.0° | 109.5° |
| SG | C01 | O02 | 112.5° | 109.5° |
| SG | C01 | H1 | 105.8° | 109.5° |
| C01 | SG | O2 | 135.0° | 104.4° |
| C01 | SG | O1 | 102.4° | 110.5° |
| C01 | SG | O3 | 135.0° | 110.5° |
| C12 | N11 | C03 | 122.8° | 120.0° |
| N11 | C12 | O34 | 123.5° | 120.0° |
| C12 | N11 | H34 | 118.6° | 120.1° |
| N11 | C03 | C01 | 109.4° | 109.5° |
| N11 | C03 | H2 | 109.8° | 109.5° |
| C03 | N11 | H34 | 118.6° | 119.9° |
| C14 | C15 | C16 | 112.0° | 109.4° |
| C15 | C14 | H11 | 108.6° | 109.5° |
| C15 | C14 | H12 | 108.6° | 109.5° |
| C14 | C15 | H13 | 107.1° | 109.4° |
| C16 | C15 | H13 | 106.7° | 109.5° |
| C15 | C16 | H14 | 109.5° | 109.4° |
| C15 | C16 | H15 | 109.5° | 109.4° |
| C15 | C16 | H16 | 109.4° | 109.4° |
| C03 | C01 | O02 | 109.5° | 109.4° |
| C03 | C01 | H1 | 109.0° | 109.5° |
| C01 | C03 | H2 | 108.9° | 109.4° |
| O02 | C01 | H1 | 110.8° | 109.5° |
| C01 | O02 | H36 | 109.5° | 114.0° |
| H3 | C04 | H4 | 109.5° | 109.4° |
| H6 | C08 | H7 | 109.5° | 110.1° |
| H8 | C09 | H9 | 109.5° | 110.9° |
| H11 | C14 | H12 | 109.5° | 109.4° |
| H14 | C16 | H15 | 109.5° | 109.5° |
| H14 | C16 | H16 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.5° |
| H17 | C17 | H18 | 109.4° | 109.5° |
| H17 | C17 | H19 | 109.4° | 109.4° |
| H18 | C17 | H19 | 109.5° | 109.4° |
| H20 | C21 | H21 | 109.5° | 109.5° |
| H24 | C24 | H25 | 109.5° | 115.6° |
| H28 | C30 | H29 | 109.5° | 109.4° |
| H28 | C30 | H30 | 109.5° | 109.5° |
| H29 | C30 | H30 | 109.5° | 109.5° |
| O2 | SG | O1 | 83.1° | 104.3° |
| O2 | SG | O3 | NaN° | 104.3° |
| SG | O2 | H37 | 90.0° | 114.0° |
| O1 | SG | O3 | 83.1° | 121.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C24 | C22 | H24 | 110.4° | 107.4° |
| C23 | C24 | C22 | H25 | 110.4° | 107.5° |
| C24 | C23 | C22 | C25 | 112.0° | 107.4° |
| C24 | C23 | C22 | H23 | 103.2° | 107.6° |
| C24 | C23 | C25 | H23 | 137.5° | 145.8° |
| C23 | C24 | C22 | C21 | 109.1° | 107.5° |
| C24 | C23 | C25 | C32 | 7.5° | 8.3° |
| C24 | C23 | C25 | C26 | 175.2° | 171.4° |
| C23 | C24 | C22 | H22 | 102.7° | 107.6° |
| C23 | C24 | H24 | H25 | 142.8° | 145.7° |
| C24 | C22 | C21 | H22 | 148.3° | 145.6° |
| C24 | C22 | C21 | O20 | 123.9° | 116.2° |
| C24 | C22 | C21 | H20 | 115.2° | 3.8° |
| C24 | C22 | C21 | H21 | 2.9° | 123.8° |
| C22 | C24 | H24 | H25 | 142.8° | 145.7° |
| O10 | C06 | N07 | C05 | 178.5° | 180.0° |
| O10 | C06 | N07 | C08 | 179.3° | 179.6° |
| O10 | C06 | C05 | C04 | 45.8° | 45.1° |
| O10 | C06 | C05 | C09 | 171.4° | 163.8° |
| O10 | C06 | C05 | H5 | 74.2° | 77.5° |
| O10 | C06 | N07 | H33 | 0.7° | 0.5° |
| C22 | C23 | C25 | H23 | 144.6° | 145.7° |
| C23 | C22 | C21 | H22 | 140.8° | 145.7° |
| C22 | C23 | C25 | C32 | 70.3° | 60.2° |
| C23 | C22 | C21 | O20 | 52.9° | 175.1° |
| C22 | C23 | C25 | C26 | 107.0° | 120.0° |
| C23 | C22 | C21 | H20 | 173.8° | 64.9° |
| C23 | C22 | C21 | H21 | 68.0° | 55.1° |
| C25 | C23 | C22 | C21 | 133.7° | 145.0° |
| C23 | C25 | C32 | C26 | 177.3° | 179.8° |
| C23 | C25 | C32 | C31 | 178.8° | 179.7° |
| C23 | C25 | C26 | C27 | 178.7° | 180.0° |
| C25 | C23 | C22 | H22 | 7.4° | 0.0° |
| C25 | C23 | C24 | H24 | 11.2° | 145.0° |
| C25 | C23 | C24 | H25 | 127.9° | 0.0° |
| C23 | C25 | C26 | H26 | 1.3° | 0.0° |
| C23 | C25 | C32 | H32 | 1.2° | 0.1° |
| C06 | N07 | C08 | H33 | 180.0° | 179.9° |
| N07 | C06 | C05 | C04 | 135.8° | 134.9° |
| N07 | C06 | C05 | C09 | 10.1° | 16.3° |
| C06 | N07 | C08 | C09 | 8.8° | 17.0° |
| N07 | C06 | C05 | H5 | 104.2° | 102.4° |
| C06 | N07 | C08 | H6 | 110.3° | 136.0° |
| C06 | N07 | C08 | H7 | 127.9° | 102.1° |
| C05 | C06 | N07 | C08 | 0.8° | 0.4° |
| C06 | C05 | C04 | C09 | 119.7° | 114.8° |
| C06 | C05 | C04 | H5 | 119.8° | 122.7° |
| C06 | C05 | C09 | H5 | 114.3° | 118.8° |
| C06 | C05 | C09 | C08 | 15.3° | 24.8° |
| C06 | C05 | C04 | C03 | 176.9° | 179.1° |
| C06 | C05 | C04 | H3 | 62.3° | 59.1° |
| C06 | C05 | C04 | H4 | 56.0° | 60.9° |
| C06 | C05 | C09 | H8 | 104.4° | 93.3° |
| C06 | C05 | C09 | H9 | 134.9° | 142.9° |
| C05 | C06 | N07 | H33 | 179.2° | 179.6° |
| C22 | C21 | O20 | H20 | 120.9° | 120.0° |
| C22 | C21 | O20 | H21 | 120.9° | 120.0° |
| C22 | C21 | O20 | C19 | 162.7° | 180.0° |
| C22 | C21 | H20 | H21 | 117.1° | 120.0° |
| C21 | C22 | C23 | H23 | 11.2° | 0.0° |
| C21 | C22 | C24 | H24 | 140.5° | 0.1° |
| C21 | C22 | C24 | H25 | 1.3° | 145.0° |
| C25 | C32 | C31 | H32 | 180.0° | 179.8° |
| C25 | C32 | C31 | C28 | 0.8° | 0.5° |
| C32 | C25 | C26 | C27 | 1.1° | 0.2° |
| C32 | C25 | C23 | H23 | 145.1° | 154.1° |
| C32 | C25 | C26 | H26 | 178.9° | 179.8° |
| C25 | C32 | C31 | H31 | 179.2° | 179.8° |
| C31 | C32 | C25 | C26 | 1.5° | 0.5° |
| C32 | C31 | C28 | H31 | 180.0° | 179.7° |
| C32 | C31 | C28 | C27 | 0.3° | 0.2° |
| C32 | C31 | C28 | O29 | 179.1° | 179.7° |
| N07 | C08 | C09 | C05 | 14.7° | 25.4° |
| N07 | C08 | C09 | H6 | 119.1° | 119.1° |
| N07 | C08 | C09 | H7 | 119.1° | 119.1° |
| N07 | C08 | H6 | H7 | 122.7° | 122.0° |
| N07 | C08 | C09 | H8 | 104.9° | 92.7° |
| N07 | C08 | C09 | H9 | 134.4° | 143.6° |
| C21 | O20 | C19 | O33 | 13.1° | 0.0° |
| C21 | O20 | C19 | N18 | 167.3° | 180.0° |
| O20 | C21 | H20 | H21 | 117.1° | 120.0° |
| O20 | C21 | C22 | H22 | 87.9° | 29.4° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.1° | 0.0° |
| C26 | C25 | C23 | H23 | 37.7° | 25.7° |
| C25 | C26 | C27 | H27 | 179.9° | 180.0° |
| C26 | C25 | C32 | H32 | 178.5° | 179.7° |
| O33 | C19 | O20 | N18 | 179.5° | 180.0° |
| O33 | C19 | N18 | C13 | 18.3° | 0.0° |
| O33 | C19 | N18 | H35 | 161.7° | 180.0° |
| C31 | C28 | C27 | C26 | 0.7° | 0.0° |
| C31 | C28 | C27 | O29 | 178.8° | 180.0° |
| C31 | C28 | O29 | C30 | 120.7° | 0.0° |
| C31 | C28 | C27 | H27 | 179.3° | 180.0° |
| C28 | C31 | C32 | H32 | 179.2° | 179.7° |
| O20 | C19 | N18 | C13 | 161.2° | 180.0° |
| C19 | O20 | C21 | H20 | 76.4° | 60.0° |
| C19 | O20 | C21 | H21 | 41.7° | 60.0° |
| O20 | C19 | N18 | H35 | 18.8° | 0.0° |
| C19 | N18 | C13 | H35 | 180.0° | 180.0° |
| C19 | N18 | C13 | C12 | 50.2° | 155.0° |
| C19 | N18 | C13 | C14 | 169.2° | 85.0° |
| C19 | N18 | C13 | H10 | 68.7° | 35.0° |
| C04 | C05 | C09 | H5 | 120.7° | 122.6° |
| C04 | C05 | C09 | C08 | 140.2° | 143.4° |
| C05 | C04 | C03 | H3 | 120.8° | 120.0° |
| C05 | C04 | C03 | H4 | 120.9° | 120.0° |
| C05 | C04 | C03 | N11 | 66.1° | 65.1° |
| C05 | C04 | C03 | C01 | 172.9° | 174.9° |
| C05 | C04 | C03 | H2 | 54.1° | 54.9° |
| C05 | C04 | H3 | H4 | 117.3° | 119.9° |
| C04 | C05 | C09 | H8 | 20.5° | 25.4° |
| C04 | C05 | C09 | H9 | 100.1° | 98.4° |
| C05 | C09 | C08 | H8 | 119.7° | 118.1° |
| C05 | C09 | C08 | H9 | 119.6° | 118.2° |
| C09 | C05 | C04 | C03 | 63.4° | 66.1° |
| C09 | C05 | C04 | H3 | 57.4° | 173.8° |
| C09 | C05 | C04 | H4 | 175.7° | 53.9° |
| C05 | C09 | C08 | H6 | 104.3° | 144.4° |
| C05 | C09 | C08 | H7 | 133.8° | 93.7° |
| C05 | C09 | H8 | H9 | 121.0° | 123.9° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | O29 | 179.5° | 180.0° |
| C08 | C09 | C05 | H5 | 99.0° | 94.0° |
| C09 | C08 | H6 | H7 | 122.7° | 121.9° |
| C08 | C09 | H8 | H9 | 121.0° | 123.8° |
| C09 | C08 | N07 | H33 | 171.2° | 163.0° |
| C27 | C28 | O29 | C30 | 60.6° | 180.0° |
| C28 | C27 | C26 | H26 | 179.9° | 179.9° |
| C27 | C28 | C31 | H31 | 179.7° | 180.0° |
| O29 | C28 | C27 | H27 | 0.5° | 0.0° |
| C28 | O29 | C30 | H28 | 180.0° | 60.0° |
| C28 | O29 | C30 | H29 | 60.0° | 60.0° |
| C28 | O29 | C30 | H30 | 60.0° | 180.0° |
| O29 | C28 | C31 | H31 | 0.9° | 0.0° |
| C17 | C15 | C14 | C13 | 64.2° | 65.0° |
| C17 | C15 | C14 | C16 | 125.4° | 120.0° |
| C17 | C15 | C14 | H13 | 118.0° | 120.0° |
| C17 | C15 | C16 | H13 | 115.8° | 120.1° |
| C17 | C15 | C14 | H11 | 175.3° | 175.0° |
| C17 | C15 | C14 | H12 | 56.4° | 55.0° |
| C17 | C15 | C16 | H14 | 180.0° | 60.0° |
| C17 | C15 | C16 | H15 | 60.0° | 60.1° |
| C17 | C15 | C16 | H16 | 60.0° | 180.0° |
| C15 | C17 | H17 | H18 | 120.0° | 120.0° |
| C15 | C17 | H17 | H19 | 120.0° | 120.1° |
| C15 | C17 | H18 | H19 | 120.0° | 120.0° |
| C04 | C03 | C01 | SG | 66.1° | 65.0° |
| C04 | C03 | N11 | C12 | 105.5° | 152.8° |
| C04 | C03 | N11 | C01 | 121.3° | 120.0° |
| C04 | C03 | N11 | H2 | 119.2° | 120.0° |
| C04 | C03 | C01 | H2 | 118.3° | 120.1° |
| C04 | C03 | C01 | O02 | 57.4° | 55.0° |
| C04 | C03 | C01 | H1 | 178.8° | 175.0° |
| C03 | C04 | H3 | H4 | 117.3° | 120.0° |
| C03 | C04 | C05 | H5 | 57.1° | 56.5° |
| C04 | C03 | N11 | H34 | 74.5° | 27.2° |
| N18 | C13 | C12 | C14 | 120.3° | 120.0° |
| N18 | C13 | C12 | H10 | 119.8° | 120.0° |
| N18 | C13 | C14 | H10 | 122.7° | 120.0° |
| N18 | C13 | C12 | N11 | 145.6° | 180.0° |
| N18 | C13 | C12 | O34 | 32.8° | 0.0° |
| N18 | C13 | C14 | C15 | 64.1° | 65.0° |
| N18 | C13 | C14 | H11 | 56.4° | 55.1° |
| N18 | C13 | C14 | H12 | 175.4° | 175.0° |
| O29 | C30 | H28 | H29 | 120.0° | 120.0° |
| O29 | C30 | H28 | H30 | 120.0° | 120.0° |
| O29 | C30 | H29 | H30 | 120.0° | 120.0° |
| C12 | C13 | C14 | H10 | 119.8° | 119.9° |
| C13 | C12 | N11 | O34 | 178.3° | 180.0° |
| C13 | C12 | N11 | C03 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 178.4° | 175.0° |
| C12 | C13 | C14 | H11 | 61.1° | 65.0° |
| C12 | C13 | C14 | H12 | 57.9° | 54.9° |
| C13 | C12 | N11 | H34 | 0.0° | 0.0° |
| C12 | C13 | N18 | H35 | 129.8° | 25.0° |
| C14 | C13 | C12 | N11 | 94.1° | 60.0° |
| C14 | C13 | C12 | O34 | 87.5° | 120.0° |
| C13 | C14 | C15 | H11 | 120.5° | 120.0° |
| C13 | C14 | C15 | H12 | 120.5° | 120.0° |
| C13 | C14 | C15 | C16 | 170.4° | 175.0° |
| C13 | C14 | H11 | H12 | 118.4° | 119.9° |
| C13 | C14 | C15 | H13 | 53.9° | 55.0° |
| C14 | C13 | N18 | H35 | 10.8° | 95.0° |
| SG | C01 | C03 | N11 | 55.6° | 55.0° |
| SG | C01 | C03 | O02 | 123.5° | 120.0° |
| SG | C01 | C03 | H1 | 115.1° | 120.0° |
| SG | C01 | O02 | H1 | 118.2° | 120.0° |
| SG | C01 | C03 | H2 | 175.6° | 175.0° |
| SG | C01 | O02 | H36 | 180.0° | 60.0° |
| C01 | SG | O2 | O1 | 100.6° | 116.0° |
| C01 | SG | O2 | O3 | 90.0° | 116.1° |
| C01 | SG | O1 | O3 | 134.6° | 131.5° |
| C01 | SG | O2 | H37 | 90.0° | 180.0° |
| C12 | N11 | C03 | H34 | 180.0° | 180.0° |
| C12 | N11 | C03 | C01 | 133.2° | 87.2° |
| C12 | N11 | C03 | H2 | 13.7° | 32.8° |
| N11 | C12 | C13 | H10 | 25.8° | 60.0° |
| C03 | N11 | C12 | O34 | 1.7° | 0.0° |
| N11 | C03 | C01 | H2 | 120.0° | 120.0° |
| N11 | C03 | C01 | O02 | 179.0° | 175.0° |
| N11 | C03 | C01 | H1 | 59.5° | 65.0° |
| N11 | C03 | C04 | H3 | 173.0° | 54.9° |
| N11 | C03 | C04 | H4 | 54.8° | 174.9° |
| O34 | C12 | C13 | H10 | 152.5° | 120.1° |
| O34 | C12 | N11 | H34 | 178.3° | 180.0° |
| C14 | C15 | C16 | H13 | 116.9° | 120.0° |
| C15 | C14 | C13 | H10 | 58.6° | 55.0° |
| C15 | C14 | H11 | H12 | 118.4° | 120.1° |
| C14 | C15 | C16 | H14 | 52.6° | 60.0° |
| C14 | C15 | C16 | H15 | 67.4° | 180.0° |
| C14 | C15 | C16 | H16 | 172.6° | 60.0° |
| C14 | C15 | C17 | H17 | 180.0° | 60.0° |
| C14 | C15 | C17 | H18 | 60.0° | 180.0° |
| C14 | C15 | C17 | H19 | 60.0° | 60.0° |
| C16 | C15 | C14 | H11 | 49.9° | 55.0° |
| C16 | C15 | C14 | H12 | 69.0° | 65.0° |
| C15 | C16 | H14 | H15 | 120.0° | 120.0° |
| C15 | C16 | H14 | H16 | 120.0° | 120.0° |
| C15 | C16 | H15 | H16 | 120.0° | 120.0° |
| C16 | C15 | C17 | H17 | 53.6° | 180.0° |
| C16 | C15 | C17 | H18 | 66.4° | 60.0° |
| C16 | C15 | C17 | H19 | 173.5° | 60.0° |
| C03 | C01 | O02 | H1 | 120.3° | 120.0° |
| C01 | C03 | C04 | H3 | 52.1° | 65.1° |
| C01 | C03 | C04 | H4 | 66.2° | 54.9° |
| C01 | C03 | N11 | H34 | 46.8° | 92.8° |
| C03 | C01 | O02 | H36 | 58.6° | 60.0° |
| C03 | C01 | SG | O2 | 79.7° | 175.0° |
| C03 | C01 | SG | O1 | 172.3° | 63.4° |
| C03 | C01 | SG | O3 | 79.7° | 73.4° |
| O02 | C01 | C03 | H2 | 61.0° | 65.0° |
| O02 | C01 | SG | O2 | 42.0° | 55.0° |
| O02 | C01 | SG | O1 | 50.6° | 56.6° |
| O02 | C01 | SG | O3 | 42.0° | 166.7° |
| H1 | C01 | C03 | H2 | 60.5° | 55.0° |
| H1 | C01 | O02 | H36 | 61.8° | 180.0° |
| H1 | C01 | SG | O2 | 163.2° | 65.0° |
| H1 | C01 | SG | O1 | 70.5° | 176.6° |
| H1 | C01 | SG | O3 | 163.2° | 46.6° |
| H2 | C03 | C04 | H3 | 66.7° | 174.9° |
| H2 | C03 | C04 | H4 | 175.0° | 65.1° |
| H2 | C03 | N11 | H34 | 166.3° | 147.3° |
| H3 | C04 | C05 | H5 | 178.0° | 63.6° |
| H4 | C04 | C05 | H5 | 63.8° | 176.4° |
| H5 | C05 | C09 | H8 | 141.3° | 148.0° |
| H5 | C05 | C09 | H9 | 20.6° | 24.2° |
| H6 | C08 | C09 | H8 | 136.0° | 26.3° |
| H6 | C08 | C09 | H9 | 15.3° | 97.4° |
| H6 | C08 | N07 | H33 | 69.7° | 43.9° |
| H7 | C08 | C09 | H8 | 14.1° | 148.2° |
| H7 | C08 | C09 | H9 | 106.6° | 24.5° |
| H7 | C08 | N07 | H33 | 52.1° | 78.0° |
| H10 | C13 | C14 | H11 | 179.1° | 175.1° |
| H10 | C13 | C14 | H12 | 61.9° | 65.0° |
| H10 | C13 | N18 | H35 | 111.4° | 145.0° |
| H11 | C14 | C15 | H13 | 66.7° | 65.0° |
| H12 | C14 | C15 | H13 | 174.4° | 175.0° |
| H13 | C15 | C16 | H14 | 64.2° | 180.0° |
| H13 | C15 | C16 | H15 | 175.8° | 60.0° |
| H13 | C15 | C16 | H16 | 55.8° | 60.0° |
| H13 | C15 | C17 | H17 | 61.9° | 59.9° |
| H13 | C15 | C17 | H18 | 178.1° | 60.1° |
| H13 | C15 | C17 | H19 | 58.0° | 179.9° |
| H14 | C16 | H15 | H16 | 120.0° | 120.1° |
| H17 | C17 | H18 | H19 | 120.0° | 119.9° |
| H20 | C21 | C22 | H22 | 33.0° | 149.4° |
| H21 | C21 | C22 | H22 | 151.2° | 90.6° |
| H22 | C22 | C23 | H23 | 152.2° | 145.0° |
| H22 | C22 | C24 | H24 | 7.7° | 145.0° |
| H22 | C22 | C24 | H25 | 146.9° | 0.1° |
| H23 | C23 | C24 | H24 | 148.6° | 0.1° |
| H23 | C23 | C24 | H25 | 9.5° | 145.1° |
| H26 | C26 | C27 | H27 | 0.0° | 0.0° |
| H28 | C30 | H29 | H30 | 120.0° | 120.0° |
| H31 | C31 | C32 | H32 | 0.8° | 0.0° |
| O2 | SG | O1 | O3 | NaN° | 116.8° |
| O1 | SG | O2 | H37 | 90.0° | 63.9° |
| O3 | SG | O2 | H37 | 90.0° | 64.0° |
