5LG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | C19 | sing | 1.43Å | 1.39Å | |
| C19 | C11 | sing | 1.53Å | 1.52Å | |
| O18 | C14 | doub | 1.21Å | 1.20Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | N10 | sing | 1.48Å | 1.45Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C14 | N15 | sing | 1.35Å | 1.44Å | |
| N10 | C09 | sing | 1.37Å | 1.43Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | N26 | sing | 1.47Å | 1.45Å | |
| C16 | N15 | sing | 1.46Å | 1.45Å | |
| O21 | C09 | doub | 1.21Å | 1.19Å | |
| C09 | C04 | sing | 1.52Å | 1.52Å | |
| N26 | C25 | sing | 1.35Å | 1.35Å | Aromatic |
| N26 | N27 | sing | 1.29Å | 1.31Å | Aromatic |
| C05 | C04 | sing | 1.53Å | 1.52Å | |
| C05 | C06 | sing | 1.53Å | 1.52Å | |
| C25 | C24 | doub | 1.35Å | 1.43Å | Aromatic |
| C04 | N03 | sing | 1.48Å | 1.44Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| N27 | N28 | doub | 1.29Å | 1.33Å | Aromatic |
| C06 | C08 | sing | 1.53Å | 1.53Å | |
| N03 | C02 | sing | 1.36Å | 1.43Å | |
| O01 | C02 | doub | 1.21Å | 1.19Å | |
| C24 | N28 | sing | 1.34Å | 1.32Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.52Å | |
| C02 | C22 | sing | 1.51Å | 1.52Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | N29 | sing | 1.47Å | 1.44Å | |
| N29 | C30 | sing | 1.35Å | 1.44Å | |
| C30 | O39 | doub | 1.21Å | 1.19Å | |
| C30 | O31 | sing | 1.35Å | 1.39Å | |
| N15 | H1 | sing | 0.97Å | 1.00Å | |
| C16 | H2 | sing | 1.09Å | 1.10Å | |
| C16 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C22 | H6 | sing | 1.09Å | 1.10Å | |
| C23 | H7 | sing | 1.09Å | 1.10Å | |
| C23 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.08Å | 1.08Å | |
| N29 | H10 | sing | 0.97Å | 1.00Å | |
| N03 | H12 | sing | 0.97Å | 1.00Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C05 | H14 | sing | 1.09Å | 1.10Å | |
| C05 | H15 | sing | 1.09Å | 1.10Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| C07 | H17 | sing | 1.09Å | 1.10Å | |
| C07 | H18 | sing | 1.09Å | 1.10Å | |
| C07 | H19 | sing | 1.09Å | 1.10Å | |
| C08 | H20 | sing | 1.09Å | 1.10Å | |
| C08 | H21 | sing | 1.09Å | 1.10Å | |
| C08 | H22 | sing | 1.09Å | 1.10Å | |
| N10 | H23 | sing | 0.97Å | 1.00Å | |
| C11 | H24 | sing | 1.09Å | 1.10Å | |
| C12 | H25 | sing | 1.09Å | 1.10Å | |
| C12 | H26 | sing | 1.09Å | 1.10Å | |
| C13 | H27 | sing | 1.09Å | 1.10Å | |
| C13 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| O20 | H31 | sing | 0.97Å | 0.95Å | |
| O31 | C1 | sing | 1.45Å | 151.99Å | |
| C1 | C2 | sing | 1.51Å | 0.00Å | |
| C2 | C3 | doub | 1.38Å | 0.00Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 0.00Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 0.00Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 0.00Å | Aromatic |
| C6 | C7 | doub | 1.38Å | 0.00Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 0.00Å | Aromatic |
| C1 | H11 | sing | 1.09Å | 0.00Å | |
| C1 | H32 | sing | 1.09Å | 0.00Å | |
| C3 | H33 | sing | 1.08Å | 0.00Å | |
| C4 | H34 | sing | 1.08Å | 0.00Å | |
| C5 | H35 | sing | 1.08Å | 0.00Å | |
| C6 | H36 | sing | 1.08Å | 0.00Å | |
| C7 | H37 | sing | 1.08Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | C19 | C11 | 112.2° | 109.5° |
| O20 | C19 | H29 | 108.8° | 109.5° |
| O20 | C19 | H30 | 108.8° | 109.5° |
| C19 | O20 | H31 | 109.5° | 114.0° |
| C19 | C11 | C12 | 111.7° | 109.6° |
| C19 | C11 | N10 | 108.7° | 109.6° |
| C19 | C11 | H24 | 109.1° | 109.8° |
| C11 | C19 | H29 | 108.8° | 109.5° |
| C11 | C19 | H30 | 108.8° | 109.5° |
| O18 | C14 | C13 | 124.9° | 120.0° |
| O18 | C14 | N15 | 120.0° | 120.1° |
| C12 | C11 | N10 | 108.0° | 108.5° |
| C11 | C12 | C13 | 112.6° | 109.5° |
| C12 | C11 | H24 | 109.1° | 109.6° |
| C11 | C12 | H25 | 108.7° | 109.5° |
| C11 | C12 | H26 | 108.7° | 109.5° |
| C11 | N10 | C09 | 120.7° | 114.6° |
| C11 | N10 | H23 | 119.7° | 122.7° |
| N10 | C11 | H24 | 110.2° | 109.6° |
| C12 | C13 | C14 | 115.2° | 109.4° |
| C13 | C12 | H25 | 108.7° | 109.5° |
| C13 | C12 | H26 | 108.7° | 109.5° |
| C12 | C13 | H27 | 108.0° | 109.4° |
| C12 | C13 | H28 | 108.0° | 109.5° |
| C13 | C14 | N15 | 115.2° | 120.0° |
| C14 | C13 | H27 | 108.0° | 109.5° |
| C14 | C13 | H28 | 108.0° | 109.5° |
| C14 | N15 | C16 | 120.2° | 120.0° |
| C14 | N15 | H1 | 119.9° | 120.0° |
| N10 | C09 | O21 | 122.7° | 120.7° |
| N10 | C09 | C04 | 113.8° | 119.1° |
| C09 | N10 | H23 | 119.6° | 122.7° |
| C16 | C17 | N26 | 109.6° | 109.3° |
| C17 | C16 | N15 | 112.4° | 109.3° |
| C17 | C16 | H2 | 108.7° | 109.6° |
| C17 | C16 | H3 | 108.7° | 109.5° |
| C16 | C17 | H4 | 109.4° | 109.5° |
| C16 | C17 | H5 | 109.4° | 109.5° |
| C17 | N26 | C25 | 127.9° | 125.9° |
| C17 | N26 | N27 | 128.0° | 125.8° |
| N26 | C17 | H4 | 109.4° | 109.5° |
| N26 | C17 | H5 | 109.4° | 109.5° |
| C16 | N15 | H1 | 119.9° | 120.0° |
| N15 | C16 | H2 | 108.7° | 109.4° |
| N15 | C16 | H3 | 108.7° | 109.5° |
| O21 | C09 | C04 | 123.5° | 120.2° |
| C09 | C04 | C05 | 108.8° | 109.4° |
| C09 | C04 | N03 | 111.0° | 109.2° |
| C09 | C04 | H13 | 108.0° | 109.3° |
| C25 | N26 | N27 | 104.0° | 108.3° |
| N26 | C25 | C24 | 111.8° | 106.2° |
| N26 | C25 | H9 | 124.1° | 126.9° |
| N26 | N27 | N28 | 111.3° | 110.2° |
| C04 | C05 | C06 | 112.7° | 109.4° |
| C05 | C04 | N03 | 111.9° | 109.6° |
| C05 | C04 | H13 | 108.0° | 109.6° |
| C04 | C05 | H14 | 108.6° | 109.4° |
| C04 | C05 | H15 | 108.6° | 109.5° |
| C05 | C06 | C07 | 109.0° | 109.5° |
| C05 | C06 | C08 | 112.7° | 109.4° |
| C06 | C05 | H14 | 108.7° | 109.5° |
| C06 | C05 | H15 | 108.7° | 109.5° |
| C05 | C06 | H16 | 107.9° | 109.5° |
| C25 | C24 | N28 | 100.8° | 106.5° |
| C25 | C24 | C23 | 130.8° | 126.8° |
| C24 | C25 | H9 | 124.1° | 126.9° |
| C04 | N03 | C02 | 119.5° | 116.1° |
| C04 | N03 | H12 | 120.3° | 122.0° |
| N03 | C04 | H13 | 109.0° | 109.6° |
| C07 | C06 | C08 | 111.6° | 109.5° |
| C07 | C06 | H16 | 107.8° | 109.5° |
| C06 | C07 | H17 | 109.5° | 109.4° |
| C06 | C07 | H18 | 109.4° | 109.4° |
| C06 | C07 | H19 | 109.5° | 109.4° |
| N27 | N28 | C24 | 112.0° | 108.8° |
| C08 | C06 | H16 | 107.8° | 109.5° |
| C06 | C08 | H20 | 109.5° | 109.5° |
| C06 | C08 | H21 | 109.4° | 109.5° |
| C06 | C08 | H22 | 109.4° | 109.5° |
| N03 | C02 | O01 | 121.6° | 120.5° |
| N03 | C02 | C22 | 115.1° | 118.9° |
| C02 | N03 | H12 | 120.2° | 121.9° |
| O01 | C02 | C22 | 123.3° | 120.5° |
| N28 | C24 | C23 | 128.4° | 126.7° |
| C24 | C23 | C22 | 112.9° | 109.6° |
| C24 | C23 | H7 | 108.6° | 109.5° |
| C24 | C23 | H8 | 108.6° | 109.5° |
| C02 | C22 | C23 | 112.7° | 109.5° |
| C02 | C22 | N29 | 109.1° | 109.5° |
| C02 | C22 | H6 | 108.0° | 109.5° |
| C23 | C22 | N29 | 109.9° | 109.5° |
| C23 | C22 | H6 | 108.0° | 109.4° |
| C22 | C23 | H7 | 108.6° | 109.4° |
| C22 | C23 | H8 | 108.6° | 109.4° |
| C22 | N29 | C30 | 116.7° | 120.0° |
| N29 | C22 | H6 | 109.1° | 109.4° |
| C22 | N29 | H10 | 121.7° | 120.0° |
| N29 | C30 | O39 | 120.3° | 120.0° |
| N29 | C30 | O31 | 117.4° | 120.0° |
| C30 | N29 | H10 | 121.6° | 120.0° |
| O39 | C30 | O31 | 122.3° | 120.1° |
| C30 | O31 | C1 | 83.0° | 117.0° |
| H2 | C16 | H3 | 109.5° | 109.5° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H7 | C23 | H8 | 109.5° | 109.4° |
| H14 | C05 | H15 | 109.5° | 109.5° |
| H17 | C07 | H18 | 109.5° | 109.5° |
| H17 | C07 | H19 | 109.5° | 109.5° |
| H18 | C07 | H19 | 109.5° | 109.5° |
| H20 | C08 | H21 | 109.5° | 109.5° |
| H20 | C08 | H22 | 109.5° | 109.5° |
| H21 | C08 | H22 | 109.5° | 109.4° |
| H25 | C12 | H26 | 109.5° | 109.5° |
| H27 | C13 | H28 | 109.5° | 109.5° |
| H29 | C19 | H30 | 109.5° | 109.4° |
| O31 | C1 | C2 | 90.0° | 109.5° |
| O31 | C1 | H11 | 90.0° | 109.5° |
| O31 | C1 | H32 | 90.0° | 109.5° |
| C1 | C2 | C3 | 90.0° | 120.1° |
| C1 | C2 | C7 | 90.0° | 120.0° |
| C2 | C1 | H11 | 90.0° | 109.5° |
| C2 | C1 | H32 | 90.0° | 109.5° |
| C2 | C3 | C4 | 90.0° | 120.1° |
| C3 | C2 | C7 | 90.0° | 119.9° |
| C2 | C3 | H33 | 90.0° | 119.9° |
| C3 | C4 | C5 | 90.0° | 120.0° |
| C4 | C3 | H33 | 90.0° | 120.0° |
| C3 | C4 | H34 | 90.0° | 120.0° |
| C4 | C5 | C6 | 90.0° | 120.0° |
| C5 | C4 | H34 | 90.0° | 120.0° |
| C4 | C5 | H35 | 90.0° | 120.0° |
| C5 | C6 | C7 | 90.0° | 120.0° |
| C6 | C5 | H35 | 90.0° | 120.0° |
| C5 | C6 | H36 | 90.0° | 119.9° |
| C6 | C7 | C2 | 90.0° | 120.0° |
| C7 | C6 | H36 | 90.0° | 120.1° |
| C6 | C7 | H37 | 90.0° | 120.0° |
| C2 | C7 | H37 | 90.0° | 120.0° |
| H11 | C1 | H32 | 90.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | C19 | C11 | H29 | 120.4° | 120.0° |
| O20 | C19 | C11 | H30 | 120.4° | 120.0° |
| O20 | C19 | C11 | C12 | 176.9° | 175.0° |
| O20 | C19 | C11 | N10 | 64.1° | 66.0° |
| O20 | C19 | C11 | H24 | 56.2° | 54.5° |
| O20 | C19 | H29 | H30 | 118.7° | 120.0° |
| C19 | C11 | C12 | N10 | 119.5° | 119.7° |
| C19 | C11 | C12 | H24 | 120.7° | 120.6° |
| C19 | C11 | N10 | H24 | 119.6° | 120.6° |
| C19 | C11 | C12 | C13 | 178.0° | 175.1° |
| C19 | C11 | N10 | C09 | 129.2° | 104.9° |
| C19 | C11 | N10 | H23 | 50.8° | 75.1° |
| C19 | C11 | C12 | H25 | 61.5° | 64.9° |
| C19 | C11 | C12 | H26 | 57.5° | 55.1° |
| C11 | C19 | H29 | H30 | 118.8° | 120.0° |
| C11 | C19 | O20 | H31 | 180.0° | 180.0° |
| O18 | C14 | C13 | C12 | 2.6° | 12.0° |
| O18 | C14 | C13 | N15 | 180.0° | 180.0° |
| O18 | C14 | N15 | C16 | 1.1° | 135.9° |
| O18 | C14 | N15 | H1 | 178.9° | 43.8° |
| O18 | C14 | C13 | H27 | 118.3° | 107.9° |
| O18 | C14 | C13 | H28 | 123.4° | 132.0° |
| C12 | C11 | N10 | H24 | 119.1° | 119.7° |
| C11 | C12 | C13 | H25 | 120.5° | 120.0° |
| C11 | C12 | C13 | H26 | 120.5° | 120.0° |
| C11 | C12 | C13 | C14 | 80.0° | 169.8° |
| C12 | C11 | N10 | C09 | 109.4° | 135.4° |
| C12 | C11 | N10 | H23 | 70.6° | 44.6° |
| C11 | C12 | H25 | H26 | 118.6° | 120.0° |
| C11 | C12 | C13 | H27 | 40.9° | 70.2° |
| C11 | C12 | C13 | H28 | 159.2° | 49.8° |
| C12 | C11 | C19 | H29 | 62.7° | 55.0° |
| C12 | C11 | C19 | H30 | 56.5° | 65.0° |
| N10 | C11 | C12 | C13 | 62.5° | 65.2° |
| C11 | N10 | C09 | H23 | 180.0° | 180.0° |
| C11 | N10 | C09 | O21 | 0.4° | 1.6° |
| C11 | N10 | C09 | C04 | 179.6° | 177.6° |
| N10 | C11 | C12 | H25 | 57.9° | 54.8° |
| N10 | C11 | C12 | H26 | 177.0° | 174.8° |
| N10 | C11 | C19 | H29 | 56.3° | 174.0° |
| N10 | C11 | C19 | H30 | 175.5° | 54.0° |
| C12 | C13 | C14 | H27 | 120.9° | 120.0° |
| C12 | C13 | C14 | H28 | 120.8° | 120.0° |
| C12 | C13 | C14 | N15 | 177.4° | 168.0° |
| C13 | C12 | C11 | H24 | 57.3° | 54.5° |
| C13 | C12 | H25 | H26 | 118.6° | 120.0° |
| C12 | C13 | H27 | H28 | 117.4° | 120.0° |
| C13 | C14 | N15 | C16 | 178.9° | 44.0° |
| C13 | C14 | N15 | H1 | 1.1° | 136.2° |
| C14 | C13 | C12 | H25 | 159.6° | 49.8° |
| C14 | C13 | C12 | H26 | 40.5° | 70.2° |
| C14 | C13 | H27 | H28 | 117.4° | 120.1° |
| C14 | N15 | C16 | C17 | 85.4° | 164.1° |
| C14 | N15 | C16 | H1 | 180.0° | 179.8° |
| C14 | N15 | C16 | H2 | 35.0° | 75.9° |
| C14 | N15 | C16 | H3 | 154.1° | 44.1° |
| N15 | C14 | C13 | H27 | 61.8° | 72.0° |
| N15 | C14 | C13 | H28 | 56.6° | 48.0° |
| N10 | C09 | O21 | C04 | 180.0° | 179.2° |
| N10 | C09 | C04 | C05 | 92.7° | 108.1° |
| N10 | C09 | C04 | N03 | 143.7° | 131.9° |
| N10 | C09 | C04 | H13 | 24.3° | 12.0° |
| C09 | N10 | C11 | H24 | 9.7° | 15.7° |
| C16 | C17 | N26 | H4 | 120.0° | 120.0° |
| C16 | C17 | N26 | H5 | 120.0° | 120.0° |
| C17 | C16 | N15 | H2 | 120.4° | 120.0° |
| C17 | C16 | N15 | H3 | 120.4° | 120.0° |
| C16 | C17 | N26 | C25 | 93.4° | 57.2° |
| C16 | C17 | N26 | N27 | 86.8° | 122.6° |
| C17 | C16 | N15 | H1 | 94.6° | 16.1° |
| C17 | C16 | H2 | H3 | 118.6° | 120.1° |
| C16 | C17 | H4 | H5 | 119.9° | 120.1° |
| N26 | C17 | C16 | N15 | 53.1° | 112.7° |
| C17 | N26 | C25 | N27 | 179.8° | 179.9° |
| C17 | N26 | C25 | C24 | 179.7° | 179.9° |
| C17 | N26 | N27 | N28 | 179.5° | 179.8° |
| N26 | C17 | C16 | H2 | 173.5° | 127.4° |
| N26 | C17 | C16 | H3 | 67.4° | 7.3° |
| N26 | C17 | H4 | H5 | 119.9° | 120.0° |
| C17 | N26 | C25 | H9 | 0.4° | 0.1° |
| N15 | C16 | H2 | H3 | 118.7° | 120.0° |
| N15 | C16 | C17 | H4 | 173.1° | 127.4° |
| N15 | C16 | C17 | H5 | 67.0° | 7.3° |
| O21 | C09 | C04 | C05 | 87.3° | 72.6° |
| O21 | C09 | C04 | N03 | 36.3° | 47.4° |
| O21 | C09 | C04 | H13 | 155.7° | 167.3° |
| O21 | C09 | N10 | H23 | 179.6° | 178.4° |
| C09 | C04 | C05 | N03 | 123.1° | 119.8° |
| C09 | C04 | C05 | H13 | 117.0° | 119.8° |
| C09 | C04 | C05 | C06 | 177.4° | 175.2° |
| C09 | C04 | N03 | H13 | 118.8° | 119.7° |
| C09 | C04 | N03 | C02 | 61.3° | 84.5° |
| C09 | C04 | N03 | H12 | 118.7° | 95.6° |
| C09 | C04 | C05 | H14 | 62.1° | 64.8° |
| C09 | C04 | C05 | H15 | 56.9° | 55.2° |
| C04 | C09 | N10 | H23 | 0.4° | 2.3° |
| N26 | C25 | C24 | H9 | 180.0° | 179.9° |
| C25 | N26 | N27 | N28 | 0.3° | 0.1° |
| N26 | C25 | C24 | N28 | 0.1° | 0.1° |
| N26 | C25 | C24 | C23 | 179.9° | 179.8° |
| C25 | N26 | C17 | H4 | 146.6° | 177.2° |
| C25 | N26 | C17 | H5 | 26.6° | 62.7° |
| N27 | N26 | C25 | C24 | 0.1° | 0.1° |
| N26 | N27 | N28 | C24 | 0.3° | 0.1° |
| N27 | N26 | C17 | H4 | 33.2° | 2.6° |
| N27 | N26 | C17 | H5 | 153.1° | 117.4° |
| N27 | N26 | C25 | H9 | 179.9° | 180.0° |
| C04 | C05 | C06 | H14 | 120.5° | 119.9° |
| C04 | C05 | C06 | H15 | 120.5° | 120.0° |
| C05 | C04 | N03 | H13 | 119.4° | 120.4° |
| C04 | C05 | C06 | C07 | 176.3° | 175.0° |
| C04 | C05 | C06 | C08 | 59.3° | 65.0° |
| C05 | C04 | N03 | C02 | 176.9° | 155.6° |
| C05 | C04 | N03 | H12 | 3.1° | 24.3° |
| C04 | C05 | H14 | H15 | 118.5° | 120.0° |
| C04 | C05 | C06 | H16 | 59.6° | 55.0° |
| C06 | C05 | C04 | N03 | 59.5° | 65.0° |
| C05 | C06 | C07 | C08 | 125.1° | 119.9° |
| C05 | C06 | C07 | H16 | 116.8° | 120.0° |
| C05 | C06 | C08 | H16 | 118.9° | 120.0° |
| C06 | C05 | C04 | H13 | 60.4° | 55.4° |
| C06 | C05 | H14 | H15 | 118.5° | 120.0° |
| C05 | C06 | C07 | H17 | 180.0° | 59.9° |
| C05 | C06 | C07 | H18 | 60.0° | 180.0° |
| C05 | C06 | C07 | H19 | 60.0° | 60.0° |
| C05 | C06 | C08 | H20 | 180.0° | 60.0° |
| C05 | C06 | C08 | H21 | 60.0° | 179.9° |
| C05 | C06 | C08 | H22 | 60.0° | 60.0° |
| C25 | C24 | N28 | N27 | 0.2° | 0.2° |
| C25 | C24 | N28 | C23 | 180.0° | 179.9° |
| C25 | C24 | C23 | C22 | 78.1° | 76.4° |
| C25 | C24 | C23 | H7 | 161.4° | 163.5° |
| C25 | C24 | C23 | H8 | 42.4° | 43.6° |
| C04 | N03 | C02 | H12 | 180.0° | 179.9° |
| C04 | N03 | C02 | O01 | 0.1° | 2.8° |
| C04 | N03 | C02 | C22 | 178.2° | 177.2° |
| N03 | C04 | C05 | H14 | 61.0° | 54.9° |
| N03 | C04 | C05 | H15 | 180.0° | 175.0° |
| C07 | C06 | C08 | H16 | 118.1° | 120.0° |
| C07 | C06 | C05 | H14 | 55.8° | 55.1° |
| C07 | C06 | C05 | H15 | 63.2° | 65.0° |
| C06 | C07 | H17 | H18 | 120.0° | 120.0° |
| C06 | C07 | H17 | H19 | 120.0° | 119.9° |
| C06 | C07 | H18 | H19 | 120.0° | 120.0° |
| C07 | C06 | C08 | H20 | 57.0° | 180.0° |
| C07 | C06 | C08 | H21 | 63.0° | 60.0° |
| C07 | C06 | C08 | H22 | 177.0° | 59.9° |
| N27 | N28 | C24 | C23 | 179.7° | 179.8° |
| C08 | C06 | C05 | H14 | 179.7° | 175.0° |
| C08 | C06 | C05 | H15 | 61.2° | 55.0° |
| C08 | C06 | C07 | H17 | 54.9° | 60.0° |
| C08 | C06 | C07 | H18 | 174.9° | 60.0° |
| C08 | C06 | C07 | H19 | 65.1° | 180.0° |
| C06 | C08 | H20 | H21 | 120.0° | 120.0° |
| C06 | C08 | H20 | H22 | 120.0° | 120.0° |
| C06 | C08 | H21 | H22 | 120.0° | 120.0° |
| N03 | C02 | O01 | C22 | 177.9° | 180.0° |
| N03 | C02 | C22 | C23 | 71.4° | 157.3° |
| N03 | C02 | C22 | N29 | 166.3° | 37.3° |
| N03 | C02 | C22 | H6 | 47.8° | 82.7° |
| C02 | N03 | C04 | H13 | 57.5° | 35.2° |
| O01 | C02 | C22 | C23 | 110.6° | 22.7° |
| O01 | C02 | C22 | N29 | 11.8° | 142.7° |
| O01 | C02 | C22 | H6 | 130.2° | 97.3° |
| O01 | C02 | N03 | H12 | 179.9° | 177.1° |
| N28 | C24 | C23 | C22 | 101.8° | 103.6° |
| N28 | C24 | C23 | H7 | 18.7° | 16.4° |
| N28 | C24 | C23 | H8 | 137.7° | 136.4° |
| N28 | C24 | C25 | H9 | 179.9° | 179.9° |
| C24 | C23 | C22 | C02 | 70.4° | 88.1° |
| C24 | C23 | C22 | H7 | 120.5° | 120.1° |
| C24 | C23 | C22 | H8 | 120.5° | 120.0° |
| C24 | C23 | C22 | N29 | 51.5° | 151.9° |
| C24 | C23 | C22 | H6 | 170.4° | 31.9° |
| C24 | C23 | H7 | H8 | 118.5° | 120.0° |
| C23 | C24 | C25 | H9 | 0.1° | 0.1° |
| C02 | C22 | C23 | N29 | 121.9° | 120.0° |
| C02 | C22 | C23 | H6 | 119.2° | 120.0° |
| C02 | C22 | N29 | H6 | 117.8° | 120.0° |
| C02 | C22 | N29 | C30 | 135.2° | 85.0° |
| C02 | C22 | C23 | H7 | 169.1° | 151.8° |
| C02 | C22 | C23 | H8 | 50.1° | 32.0° |
| C02 | C22 | N29 | H10 | 44.8° | 95.0° |
| C22 | C02 | N03 | H12 | 1.8° | 2.8° |
| C23 | C22 | N29 | H6 | 118.2° | 120.0° |
| C23 | C22 | N29 | C30 | 100.8° | 155.0° |
| C22 | C23 | H7 | H8 | 118.4° | 119.9° |
| C23 | C22 | N29 | H10 | 79.2° | 25.0° |
| C22 | N29 | C30 | H10 | 180.0° | 180.0° |
| C22 | N29 | C30 | O39 | 7.6° | 0.0° |
| C22 | N29 | C30 | O31 | 172.0° | 179.7° |
| N29 | C22 | C23 | H7 | 69.0° | 31.8° |
| N29 | C22 | C23 | H8 | 172.0° | 88.1° |
| N29 | C30 | O39 | O31 | 179.5° | 179.8° |
| C30 | N29 | C22 | H6 | 17.4° | 35.0° |
| N29 | C30 | O31 | C1 | 2.1° | 179.7° |
| O39 | C30 | N29 | H10 | 172.4° | 180.0° |
| O39 | C30 | O31 | C1 | 177.5° | 0.0° |
| O31 | C30 | N29 | H10 | 8.1° | 0.3° |
| C30 | O31 | C1 | C2 | 90.0° | 180.0° |
| C30 | O31 | C1 | H11 | 90.0° | 60.0° |
| C30 | O31 | C1 | H32 | 90.0° | 60.0° |
| H1 | N15 | C16 | H2 | 145.0° | 103.9° |
| H1 | N15 | C16 | H3 | 25.8° | 136.1° |
| H2 | C16 | C17 | H4 | 66.5° | 7.4° |
| H2 | C16 | C17 | H5 | 53.5° | 112.7° |
| H3 | C16 | C17 | H4 | 52.6° | 112.7° |
| H3 | C16 | C17 | H5 | 172.6° | 127.2° |
| H6 | C22 | C23 | H7 | 49.9° | 88.2° |
| H6 | C22 | C23 | H8 | 69.1° | 152.0° |
| H6 | C22 | N29 | H10 | 162.6° | 145.0° |
| H12 | N03 | C04 | H13 | 122.5° | 144.7° |
| H13 | C04 | C05 | H14 | 179.1° | 175.3° |
| H13 | C04 | C05 | H15 | 60.1° | 64.6° |
| H14 | C05 | C06 | H16 | 60.9° | 64.9° |
| H15 | C05 | C06 | H16 | 180.0° | 175.0° |
| H16 | C06 | C07 | H17 | 63.2° | 179.9° |
| H16 | C06 | C07 | H18 | 56.8° | 60.0° |
| H16 | C06 | C07 | H19 | 176.8° | 60.0° |
| H16 | C06 | C08 | H20 | 61.1° | 60.0° |
| H16 | C06 | C08 | H21 | 178.9° | 60.1° |
| H16 | C06 | C08 | H22 | 58.9° | 180.0° |
| H17 | C07 | H18 | H19 | 120.0° | 120.1° |
| H20 | C08 | H21 | H22 | 120.0° | 120.0° |
| H23 | N10 | C11 | H24 | 170.3° | 164.3° |
| H24 | C11 | C12 | H25 | 177.7° | 174.5° |
| H24 | C11 | C12 | H26 | 63.2° | 65.5° |
| H24 | C11 | C19 | H29 | 176.5° | 65.5° |
| H24 | C11 | C19 | H30 | 64.3° | 174.5° |
| H25 | C12 | C13 | H27 | 79.6° | 169.8° |
| H25 | C12 | C13 | H28 | 38.8° | 70.2° |
| H26 | C12 | C13 | H27 | 161.4° | 49.8° |
| H26 | C12 | C13 | H28 | 80.3° | 169.8° |
| H29 | C19 | O20 | H31 | 59.6° | 60.0° |
| H30 | C19 | O20 | H31 | 59.6° | 60.0° |
| O31 | C1 | C2 | H11 | 90.0° | 120.0° |
| O31 | C1 | C2 | H32 | 90.0° | 120.0° |
| O31 | C1 | C2 | C3 | 90.0° | 90.0° |
| O31 | C1 | C2 | C7 | 90.0° | 90.3° |
| O31 | C1 | H11 | H32 | 90.0° | 120.0° |
| C1 | C2 | C3 | C7 | 90.0° | 179.7° |
| C1 | C2 | C3 | C4 | 90.0° | 180.0° |
| C1 | C2 | C7 | C6 | 90.0° | 179.8° |
| C2 | C1 | H11 | H32 | 90.0° | 120.0° |
| C1 | C2 | C3 | H33 | 90.0° | 0.0° |
| C1 | C2 | C7 | H37 | 90.0° | 0.2° |
| C2 | C3 | C4 | H33 | 90.0° | 180.0° |
| C2 | C3 | C4 | C5 | 90.0° | 0.0° |
| C3 | C2 | C7 | C6 | 90.0° | 0.5° |
| C3 | C2 | C1 | H11 | 90.0° | 30.0° |
| C3 | C2 | C1 | H32 | 90.0° | 150.0° |
| C2 | C3 | C4 | H34 | 90.0° | 179.9° |
| C3 | C2 | C7 | H37 | 90.0° | 179.9° |
| C3 | C4 | C5 | H34 | 90.0° | 179.9° |
| C3 | C4 | C5 | C6 | 90.0° | 0.1° |
| C4 | C3 | C2 | C7 | 90.0° | 0.3° |
| C3 | C4 | C5 | H35 | 90.0° | 180.0° |
| C4 | C5 | C6 | H35 | 90.0° | 180.0° |
| C4 | C5 | C6 | C7 | 90.0° | 0.1° |
| C5 | C4 | C3 | H33 | 90.0° | 179.9° |
| C4 | C5 | C6 | H36 | 90.0° | 180.0° |
| C5 | C6 | C7 | H36 | 90.0° | 179.9° |
| C5 | C6 | C7 | C2 | 90.0° | 0.4° |
| C6 | C5 | C4 | H34 | 90.0° | 180.0° |
| C5 | C6 | C7 | H37 | 90.0° | 180.0° |
| C6 | C7 | C2 | H37 | 90.0° | 179.6° |
| C7 | C6 | C5 | H35 | 90.0° | 179.8° |
| C7 | C2 | C1 | H11 | 90.0° | 149.7° |
| C7 | C2 | C1 | H32 | 90.0° | 29.8° |
| C7 | C2 | C3 | H33 | 90.0° | 179.8° |
| C2 | C7 | C6 | H36 | 90.0° | 179.7° |
| H33 | C3 | C4 | H34 | 90.0° | 0.0° |
| H34 | C4 | C5 | H35 | 90.0° | 0.0° |
| H35 | C5 | C6 | H36 | 90.0° | 0.1° |
| H36 | C6 | C7 | H37 | 90.0° | 0.1° |
