EQS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | trip | 1.14Å | 1.19Å | |
| C33 | N03 | sing | 1.47Å | 1.57Å | |
| C33 | C32 | sing | 1.53Å | 1.61Å | |
| C02 | N03 | sing | 1.36Å | 1.49Å | |
| N03 | C04 | sing | 1.47Å | 1.62Å | |
| C32 | C06 | sing | 1.53Å | 1.54Å | |
| O26 | C22 | doub | 1.21Å | 1.22Å | |
| C06 | C31 | sing | 1.53Å | 1.56Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C06 | C07 | sing | 1.53Å | 1.60Å | |
| C31 | C08 | sing | 1.54Å | 1.58Å | |
| C04 | C05 | sing | 1.53Å | 1.59Å | |
| C22 | N23 | sing | 1.34Å | 1.41Å | |
| C22 | C21 | sing | 1.51Å | 1.56Å | |
| C08 | C07 | sing | 1.54Å | 1.61Å | |
| C08 | O09 | sing | 1.45Å | 1.46Å | |
| N23 | C24 | sing | 1.47Å | 1.56Å | |
| O30 | C10 | doub | 1.22Å | 1.23Å | |
| C10 | O09 | sing | 1.35Å | 1.46Å | |
| C10 | N11 | sing | 1.35Å | 1.46Å | |
| C21 | C20 | sing | 1.53Å | 1.58Å | |
| C21 | C25 | sing | 1.55Å | 1.50Å | |
| C16 | C14 | sing | 1.53Å | 1.57Å | |
| C24 | C25 | sing | 1.55Å | 1.59Å | |
| C20 | C19 | sing | 1.53Å | 1.55Å | |
| N11 | C12 | sing | 1.46Å | 1.51Å | |
| C12 | C17 | sing | 1.51Å | 1.60Å | |
| C12 | C13 | sing | 1.53Å | 1.61Å | |
| N18 | C17 | sing | 1.35Å | 1.47Å | |
| N18 | C19 | sing | 1.47Å | 1.49Å | |
| SG | C27 | sing | 1.81Å | 1.82Å | |
| C14 | C13 | sing | 1.53Å | 1.59Å | |
| C14 | C15 | sing | 1.53Å | 1.58Å | |
| C17 | O29 | doub | 1.21Å | 1.22Å | |
| C19 | C27 | sing | 1.53Å | 1.60Å | |
| C27 | O28 | sing | 1.43Å | 1.43Å | |
| SG | O1 | sing | 1.52Å | 1.81Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C20 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C25 | H9 | sing | 1.09Å | 1.10Å | |
| C27 | H10 | sing | 1.09Å | 1.10Å | |
| C31 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C04 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C05 | H18 | sing | 1.09Å | 1.10Å | |
| C05 | H19 | sing | 1.09Å | 1.10Å | |
| C07 | H20 | sing | 1.09Å | 1.10Å | |
| C07 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C13 | H23 | sing | 1.09Å | 1.10Å | |
| C14 | H24 | sing | 1.09Å | 1.10Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C08 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C33 | H29 | sing | 1.09Å | 1.10Å | |
| C33 | H30 | sing | 1.09Å | 1.10Å | |
| N11 | H31 | sing | 0.97Å | 1.00Å | |
| N18 | H32 | sing | 0.97Å | 1.00Å | |
| N23 | H33 | sing | 0.97Å | 1.00Å | |
| O28 | H34 | sing | 0.97Å | 0.95Å | |
| O1 | H35 | sing | 0.97Å | 0.95Å | |
| SG | O3 | doub | 1.42Å | 33.56Å | |
| SG | O2 | doub | 1.42Å | 33.56Å | |
| C24 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | N03 | 179.0° | 180.0° |
| N03 | C33 | C32 | 120.9° | 108.8° |
| C33 | N03 | C02 | 119.3° | 120.5° |
| C33 | N03 | C04 | 106.1° | 119.0° |
| N03 | C33 | H29 | 106.6° | 109.6° |
| N03 | C33 | H30 | 106.6° | 109.6° |
| C33 | C32 | C06 | 120.3° | 109.1° |
| C33 | C32 | H27 | 106.7° | 109.5° |
| C33 | C32 | H28 | 106.7° | 109.6° |
| C32 | C33 | H29 | 106.5° | 109.6° |
| C32 | C33 | H30 | 106.5° | 109.6° |
| C02 | N03 | C04 | 125.2° | 120.5° |
| N03 | C04 | C05 | 115.8° | 108.8° |
| N03 | C04 | H16 | 107.9° | 109.6° |
| N03 | C04 | H17 | 107.9° | 109.7° |
| C32 | C06 | C31 | 110.2° | 113.5° |
| C32 | C06 | C05 | 109.6° | 113.0° |
| C32 | C06 | C07 | 124.6° | 113.5° |
| C06 | C32 | H27 | 106.7° | 109.5° |
| C06 | C32 | H28 | 106.7° | 109.6° |
| O26 | C22 | N23 | 126.3° | 124.9° |
| O26 | C22 | C21 | 123.4° | 125.0° |
| C31 | C06 | C05 | 112.5° | 113.5° |
| C31 | C06 | C07 | 84.9° | 87.4° |
| C06 | C31 | C08 | 88.6° | 87.0° |
| C06 | C31 | H11 | 114.4° | 113.6° |
| C06 | C31 | H12 | 114.4° | 113.7° |
| C05 | C06 | C07 | 112.5° | 113.5° |
| C06 | C05 | C04 | 109.9° | 109.2° |
| C06 | C05 | H18 | 109.4° | 109.5° |
| C06 | C05 | H19 | 109.4° | 109.6° |
| C06 | C07 | C08 | 86.3° | 87.0° |
| C06 | C07 | H20 | 114.9° | 113.6° |
| C06 | C07 | H21 | 114.9° | 113.7° |
| C31 | C08 | C07 | 83.8° | 87.2° |
| C31 | C08 | O09 | 117.6° | 113.6° |
| C08 | C31 | H11 | 114.4° | 113.7° |
| C08 | C31 | H12 | 114.4° | 113.7° |
| C31 | C08 | H26 | 110.7° | 113.6° |
| C05 | C04 | H16 | 107.9° | 109.6° |
| C05 | C04 | H17 | 107.8° | 109.6° |
| C04 | C05 | H18 | 109.4° | 109.5° |
| C04 | C05 | H19 | 109.3° | 109.5° |
| N23 | C22 | C21 | 110.3° | 110.1° |
| C22 | N23 | C24 | 108.3° | 111.3° |
| C22 | N23 | H33 | 125.8° | 124.4° |
| C22 | C21 | C20 | 107.7° | 110.5° |
| C22 | C21 | C25 | 109.5° | 104.2° |
| C22 | C21 | H7 | 111.5° | 110.6° |
| C07 | C08 | O09 | 118.8° | 113.6° |
| C08 | C07 | H20 | 114.9° | 113.6° |
| C08 | C07 | H21 | 114.9° | 113.7° |
| C07 | C08 | H26 | 110.3° | 113.5° |
| C08 | O09 | C10 | 117.1° | 117.0° |
| O09 | C08 | H26 | 112.5° | 112.9° |
| N23 | C24 | C25 | 108.0° | 105.5° |
| N23 | C24 | H8 | 109.9° | 110.2° |
| C24 | N23 | H33 | 125.8° | 124.3° |
| N23 | C24 | H36 | 109.8° | 110.3° |
| O30 | C10 | O09 | 121.8° | 120.0° |
| O30 | C10 | N11 | 119.7° | 120.0° |
| O09 | C10 | N11 | 118.5° | 120.0° |
| C10 | N11 | C12 | 122.4° | 120.0° |
| C10 | N11 | H31 | 118.8° | 119.9° |
| C20 | C21 | C25 | 104.5° | 110.5° |
| C21 | C20 | C19 | 110.5° | 109.5° |
| C21 | C20 | H5 | 109.2° | 109.5° |
| C21 | C20 | H6 | 109.2° | 109.5° |
| C20 | C21 | H7 | 111.1° | 110.4° |
| C21 | C25 | C24 | 103.7° | 101.7° |
| C25 | C21 | H7 | 112.3° | 110.5° |
| C21 | C25 | H9 | 110.9° | 111.0° |
| C21 | C25 | H37 | 110.9° | 111.0° |
| C16 | C14 | C13 | 113.2° | 109.5° |
| C16 | C14 | C15 | 112.3° | 109.5° |
| C14 | C16 | H13 | 109.5° | 109.5° |
| C14 | C16 | H14 | 109.5° | 109.4° |
| C14 | C16 | H15 | 109.5° | 109.5° |
| C16 | C14 | H24 | 107.2° | 109.5° |
| C25 | C24 | H8 | 109.8° | 110.2° |
| C24 | C25 | H9 | 110.9° | 110.9° |
| C25 | C24 | H36 | 109.8° | 110.2° |
| C24 | C25 | H37 | 110.9° | 111.0° |
| C20 | C19 | N18 | 109.7° | 109.4° |
| C20 | C19 | C27 | 111.0° | 109.5° |
| C19 | C20 | H5 | 109.2° | 109.5° |
| C19 | C20 | H6 | 109.2° | 109.5° |
| C20 | C19 | H25 | 109.7° | 109.5° |
| N11 | C12 | C17 | 105.8° | 109.5° |
| N11 | C12 | C13 | 109.2° | 109.5° |
| N11 | C12 | H1 | 111.1° | 109.5° |
| C12 | N11 | H31 | 118.8° | 120.0° |
| C17 | C12 | C13 | 110.8° | 109.5° |
| C12 | C17 | N18 | 117.8° | 120.0° |
| C12 | C17 | O29 | 121.2° | 119.9° |
| C17 | C12 | H1 | 110.0° | 109.4° |
| C12 | C13 | C14 | 111.2° | 109.5° |
| C13 | C12 | H1 | 109.9° | 109.4° |
| C12 | C13 | H22 | 109.0° | 109.5° |
| C12 | C13 | H23 | 109.0° | 109.4° |
| C17 | N18 | C19 | 120.6° | 120.0° |
| N18 | C17 | O29 | 121.0° | 120.0° |
| C17 | N18 | H32 | 119.7° | 120.0° |
| N18 | C19 | C27 | 106.8° | 109.5° |
| N18 | C19 | H25 | 110.5° | 109.5° |
| C19 | N18 | H32 | 119.7° | 120.0° |
| SG | C27 | C19 | 108.9° | 109.5° |
| SG | C27 | O28 | 112.1° | 109.5° |
| C27 | SG | O1 | 101.7° | 104.5° |
| SG | C27 | H10 | 107.2° | 109.5° |
| C27 | SG | O3 | 133.3° | 110.6° |
| C27 | SG | O2 | 133.3° | 110.5° |
| C13 | C14 | C15 | 109.7° | 109.4° |
| C14 | C13 | H22 | 109.0° | 109.5° |
| C14 | C13 | H23 | 109.0° | 109.4° |
| C13 | C14 | H24 | 107.0° | 109.5° |
| C14 | C15 | H2 | 109.5° | 109.5° |
| C14 | C15 | H3 | 109.5° | 109.5° |
| C14 | C15 | H4 | 109.5° | 109.5° |
| C15 | C14 | H24 | 107.1° | 109.4° |
| C19 | C27 | O28 | 106.6° | 109.4° |
| C19 | C27 | H10 | 109.7° | 109.5° |
| C27 | C19 | H25 | 109.1° | 109.5° |
| O28 | C27 | H10 | 112.2° | 109.5° |
| C27 | O28 | H34 | 109.5° | 114.0° |
| SG | O1 | H35 | 109.5° | 114.0° |
| O1 | SG | O3 | 81.6° | 104.3° |
| O1 | SG | O2 | 81.6° | 104.3° |
| H2 | C15 | H3 | 109.5° | 109.4° |
| H2 | C15 | H4 | 109.4° | 109.5° |
| H3 | C15 | H4 | 109.5° | 109.5° |
| H5 | C20 | H6 | 109.4° | 109.4° |
| H8 | C24 | H36 | 109.5° | 110.2° |
| H9 | C25 | H37 | 109.5° | 110.9° |
| H11 | C31 | H12 | 109.5° | 112.8° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H13 | C16 | H15 | 109.5° | 109.5° |
| H14 | C16 | H15 | 109.4° | 109.4° |
| H16 | C04 | H17 | 109.5° | 109.6° |
| H18 | C05 | H19 | 109.5° | 109.5° |
| H20 | C07 | H21 | 109.5° | 112.8° |
| H22 | C13 | H23 | 109.5° | 109.5° |
| H27 | C32 | H28 | 109.5° | 109.5° |
| H29 | C33 | H30 | 109.5° | 109.7° |
| O3 | SG | O2 | NaN° | 121.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | N03 | C33 | 118.6° | 142.4° |
| N01 | C02 | N03 | C04 | 23.1° | 37.6° |
| N03 | C33 | C32 | H29 | 121.6° | 119.8° |
| N03 | C33 | C32 | H30 | 121.6° | 119.8° |
| C33 | N03 | C02 | C04 | 141.7° | 180.0° |
| N03 | C33 | C32 | C06 | 22.7° | 52.5° |
| C33 | N03 | C04 | C05 | 48.3° | 55.5° |
| C33 | N03 | C04 | H16 | 169.2° | 64.2° |
| C33 | N03 | C04 | H17 | 72.6° | 175.4° |
| N03 | C33 | C32 | H27 | 144.2° | 67.4° |
| N03 | C33 | C32 | H28 | 98.9° | 172.4° |
| N03 | C33 | H29 | H30 | 114.9° | 120.4° |
| C32 | C33 | N03 | C02 | 174.0° | 124.5° |
| C32 | C33 | N03 | C04 | 25.8° | 55.5° |
| C33 | C32 | C06 | H27 | 121.5° | 119.9° |
| C33 | C32 | C06 | H28 | 121.5° | 119.9° |
| C33 | C32 | C06 | C31 | 160.7° | 171.3° |
| C33 | C32 | C06 | C05 | 36.3° | 57.6° |
| C33 | C32 | C06 | C07 | 101.4° | 73.5° |
| C33 | C32 | H27 | H28 | 115.1° | 120.2° |
| C32 | C33 | H29 | H30 | 114.8° | 120.3° |
| C02 | N03 | C04 | C05 | 166.0° | 124.5° |
| C02 | N03 | C04 | H16 | 45.0° | 115.7° |
| C02 | N03 | C04 | H17 | 73.1° | 4.6° |
| C02 | N03 | C33 | H29 | 52.4° | 4.7° |
| C02 | N03 | C33 | H30 | 64.4° | 115.8° |
| N03 | C04 | C05 | C06 | 67.8° | 52.5° |
| N03 | C04 | C05 | H16 | 120.9° | 119.8° |
| N03 | C04 | C05 | H17 | 120.9° | 119.9° |
| N03 | C04 | H16 | H17 | 117.2° | 120.4° |
| N03 | C04 | C05 | H18 | 172.1° | 67.4° |
| N03 | C04 | C05 | H19 | 52.3° | 172.5° |
| C04 | N03 | C33 | H29 | 95.8° | 175.3° |
| C04 | N03 | C33 | H30 | 147.4° | 64.2° |
| C32 | C06 | C31 | C05 | 122.7° | 130.9° |
| C32 | C06 | C31 | C07 | 125.1° | 114.6° |
| C32 | C06 | C05 | C07 | 143.2° | 131.1° |
| C32 | C06 | C31 | C08 | 94.6° | 89.4° |
| C32 | C06 | C05 | C04 | 56.1° | 57.6° |
| C32 | C06 | C07 | C08 | 81.2° | 89.3° |
| C32 | C06 | C31 | H11 | 21.7° | 25.2° |
| C32 | C06 | C31 | H12 | 149.1° | 156.1° |
| C32 | C06 | C05 | H18 | 176.1° | 62.3° |
| C32 | C06 | C05 | H19 | 63.9° | 177.6° |
| C32 | C06 | C07 | H20 | 163.0° | 156.2° |
| C32 | C06 | C07 | H21 | 34.6° | 25.3° |
| C06 | C32 | H27 | H28 | 115.1° | 120.2° |
| C06 | C32 | C33 | H29 | 99.0° | 172.3° |
| C06 | C32 | C33 | H30 | 144.3° | 67.3° |
| O26 | C22 | N23 | C21 | 177.8° | 179.9° |
| O26 | C22 | N23 | C24 | 180.0° | 179.5° |
| O26 | C22 | C21 | C20 | 64.4° | 45.1° |
| O26 | C22 | C21 | C25 | 177.4° | 163.8° |
| O26 | C22 | C21 | H7 | 57.8° | 77.4° |
| O26 | C22 | N23 | H33 | 0.1° | 0.5° |
| C31 | C06 | C05 | C07 | 93.8° | 97.8° |
| C06 | C31 | C08 | H11 | 116.3° | 114.5° |
| C06 | C31 | C08 | H12 | 116.2° | 114.6° |
| C31 | C06 | C05 | C04 | 179.1° | 171.3° |
| C31 | C06 | C07 | C08 | 29.9° | 25.2° |
| C06 | C31 | C08 | O09 | 149.5° | 139.7° |
| C06 | C31 | H11 | H12 | 129.9° | 131.3° |
| C31 | C06 | C05 | H18 | 60.8° | 68.8° |
| C31 | C06 | C05 | H19 | 59.1° | 51.3° |
| C31 | C06 | C07 | H20 | 85.9° | 89.3° |
| C31 | C06 | C07 | H21 | 145.7° | 139.8° |
| C06 | C31 | C08 | H26 | 79.2° | 89.4° |
| C31 | C06 | C32 | H27 | 77.8° | 68.8° |
| C31 | C06 | C32 | H28 | 39.2° | 51.4° |
| C05 | C06 | C31 | C08 | 142.7° | 139.8° |
| C06 | C05 | C04 | H18 | 120.0° | 119.9° |
| C06 | C05 | C04 | H19 | 120.1° | 120.0° |
| C05 | C06 | C07 | C08 | 142.2° | 139.8° |
| C05 | C06 | C31 | H11 | 101.0° | 105.6° |
| C05 | C06 | C31 | H12 | 26.5° | 25.2° |
| C06 | C05 | C04 | H16 | 171.3° | 67.3° |
| C06 | C05 | C04 | H17 | 53.1° | 172.4° |
| C06 | C05 | H18 | H19 | 119.9° | 120.2° |
| C05 | C06 | C07 | H20 | 26.4° | 25.3° |
| C05 | C06 | C07 | H21 | 102.0° | 105.6° |
| C05 | C06 | C32 | H27 | 157.8° | 62.3° |
| C05 | C06 | C32 | H28 | 85.2° | 177.6° |
| C07 | C06 | C05 | C04 | 87.1° | 73.5° |
| C06 | C07 | C08 | H20 | 115.8° | 114.5° |
| C06 | C07 | C08 | H21 | 115.8° | 114.6° |
| C06 | C07 | C08 | O09 | 147.7° | 139.7° |
| C07 | C06 | C31 | H11 | 146.8° | 139.8° |
| C07 | C06 | C31 | H12 | 85.8° | 89.4° |
| C07 | C06 | C05 | H18 | 33.0° | 166.6° |
| C07 | C06 | C05 | H19 | 152.9° | 46.5° |
| C06 | C07 | H20 | H21 | 131.1° | 131.3° |
| C06 | C07 | C08 | H26 | 80.3° | 89.4° |
| C07 | C06 | C32 | H27 | 20.1° | 166.6° |
| C07 | C06 | C32 | H28 | 137.1° | 46.4° |
| C31 | C08 | C07 | O09 | 118.1° | 114.6° |
| C31 | C08 | C07 | H26 | 109.8° | 114.6° |
| C31 | C08 | O09 | H26 | 130.5° | 131.3° |
| C31 | C08 | O09 | C10 | 136.3° | 150.0° |
| C08 | C31 | H11 | H12 | 130.0° | 131.3° |
| C31 | C08 | C07 | H20 | 86.2° | 89.4° |
| C31 | C08 | C07 | H21 | 145.4° | 139.7° |
| C05 | C04 | H16 | H17 | 117.1° | 120.3° |
| C04 | C05 | H18 | H19 | 119.8° | 120.1° |
| C22 | N23 | C24 | H33 | 180.0° | 180.0° |
| N23 | C22 | C21 | C20 | 117.8° | 135.0° |
| N23 | C22 | C21 | C25 | 4.8° | 16.3° |
| C22 | N23 | C24 | C25 | 1.0° | 17.0° |
| N23 | C22 | C21 | H7 | 120.1° | 102.5° |
| C22 | N23 | C24 | H8 | 118.8° | 135.9° |
| C22 | N23 | C24 | H36 | 120.7° | 102.0° |
| C21 | C22 | N23 | C24 | 2.2° | 0.4° |
| C22 | C21 | C20 | C25 | 116.3° | 114.8° |
| C22 | C21 | C20 | H7 | 122.4° | 122.7° |
| C22 | C21 | C25 | H7 | 124.4° | 118.8° |
| C22 | C21 | C25 | C24 | 5.0° | 24.8° |
| C22 | C21 | C20 | C19 | 178.6° | 179.3° |
| C22 | C21 | C20 | H5 | 61.2° | 60.7° |
| C22 | C21 | C20 | H6 | 58.4° | 59.3° |
| C22 | C21 | C25 | H9 | 114.1° | 93.3° |
| C21 | C22 | N23 | H33 | 177.9° | 179.6° |
| C22 | C21 | C25 | H37 | 124.1° | 142.9° |
| C07 | C08 | O09 | H26 | 131.1° | 131.1° |
| C07 | C08 | O09 | C10 | 125.2° | 112.4° |
| C07 | C08 | C31 | H11 | 146.5° | 139.7° |
| C07 | C08 | C31 | H12 | 86.0° | 89.5° |
| C08 | C07 | H20 | H21 | 131.0° | 131.4° |
| C08 | O09 | C10 | O30 | 2.5° | 0.1° |
| C08 | O09 | C10 | N11 | 178.2° | 180.0° |
| O09 | C08 | C31 | H11 | 94.2° | 105.8° |
| O09 | C08 | C31 | H12 | 33.3° | 25.1° |
| O09 | C08 | C07 | H20 | 31.9° | 25.2° |
| O09 | C08 | C07 | H21 | 96.5° | 105.7° |
| N23 | C24 | C25 | C21 | 3.7° | 25.4° |
| N23 | C24 | C25 | H8 | 119.8° | 119.0° |
| N23 | C24 | C25 | H36 | 119.8° | 119.1° |
| N23 | C24 | H8 | H36 | 120.7° | 122.1° |
| N23 | C24 | C25 | H9 | 115.3° | 92.7° |
| N23 | C24 | C25 | H37 | 122.8° | 143.5° |
| O30 | C10 | O09 | N11 | 179.3° | 180.0° |
| O30 | C10 | N11 | C12 | 13.7° | 5.0° |
| O30 | C10 | N11 | H31 | 166.3° | 175.0° |
| O09 | C10 | N11 | C12 | 165.6° | 175.0° |
| C10 | O09 | C08 | H26 | 5.9° | 18.7° |
| O09 | C10 | N11 | H31 | 14.4° | 5.0° |
| C10 | N11 | C12 | H31 | 180.0° | 180.0° |
| C10 | N11 | C12 | C17 | 61.6° | 152.0° |
| C10 | N11 | C12 | C13 | 179.1° | 88.0° |
| C10 | N11 | C12 | H1 | 57.7° | 32.0° |
| C20 | C21 | C25 | H7 | 120.5° | 122.5° |
| C20 | C21 | C25 | C24 | 120.1° | 143.5° |
| C21 | C20 | C19 | H5 | 120.2° | 120.0° |
| C21 | C20 | C19 | H6 | 120.2° | 120.1° |
| C21 | C20 | C19 | N18 | 62.9° | 61.4° |
| C21 | C20 | C19 | C27 | 179.2° | 178.6° |
| C21 | C20 | H5 | H6 | 119.5° | 120.0° |
| C20 | C21 | C25 | H9 | 1.0° | 25.4° |
| C21 | C20 | C19 | H25 | 58.6° | 58.6° |
| C20 | C21 | C25 | H37 | 120.8° | 98.4° |
| C21 | C25 | C24 | H9 | 119.1° | 118.1° |
| C21 | C25 | C24 | H37 | 119.1° | 118.1° |
| C25 | C21 | C20 | C19 | 65.1° | 65.9° |
| C25 | C21 | C20 | H5 | 55.1° | 54.1° |
| C25 | C21 | C20 | H6 | 174.8° | 174.1° |
| C21 | C25 | C24 | H8 | 116.0° | 144.4° |
| C21 | C25 | H9 | H37 | 122.7° | 123.9° |
| C21 | C25 | C24 | H36 | 123.5° | 93.7° |
| C16 | C14 | C13 | C12 | 45.6° | 172.4° |
| C16 | C14 | C13 | C15 | 126.3° | 120.0° |
| C16 | C14 | C13 | H24 | 117.8° | 120.1° |
| C16 | C14 | C15 | H24 | 117.4° | 120.0° |
| C16 | C14 | C15 | H2 | 180.0° | 65.6° |
| C16 | C14 | C15 | H3 | 60.0° | 54.3° |
| C16 | C14 | C15 | H4 | 60.0° | 174.3° |
| C14 | C16 | H13 | H14 | 120.0° | 120.0° |
| C14 | C16 | H13 | H15 | 120.0° | 120.1° |
| C14 | C16 | H14 | H15 | 120.0° | 120.0° |
| C16 | C14 | C13 | H22 | 165.9° | 67.6° |
| C16 | C14 | C13 | H23 | 74.7° | 52.5° |
| C24 | C25 | C21 | H7 | 119.4° | 94.0° |
| C25 | C24 | H8 | H36 | 120.7° | 121.9° |
| C24 | C25 | H9 | H37 | 122.7° | 123.8° |
| C25 | C24 | N23 | H33 | 179.0° | 163.0° |
| C20 | C19 | N18 | C17 | 123.1° | 147.6° |
| C20 | C19 | N18 | C27 | 120.4° | 120.0° |
| C20 | C19 | N18 | H25 | 121.0° | 120.0° |
| C20 | C19 | C27 | SG | 67.5° | 65.7° |
| C20 | C19 | C27 | H25 | 121.0° | 120.1° |
| C20 | C19 | C27 | O28 | 53.6° | 174.3° |
| C19 | C20 | H5 | H6 | 119.5° | 120.0° |
| C19 | C20 | C21 | H7 | 56.2° | 56.7° |
| C20 | C19 | C27 | H10 | 175.4° | 54.3° |
| C20 | C19 | N18 | H32 | 56.9° | 32.3° |
| N11 | C12 | C17 | C13 | 118.3° | 120.0° |
| N11 | C12 | C17 | H1 | 120.1° | 120.1° |
| N11 | C12 | C13 | H1 | 122.1° | 120.0° |
| N11 | C12 | C17 | N18 | 133.9° | 159.9° |
| N11 | C12 | C13 | C14 | 58.4° | 173.9° |
| N11 | C12 | C17 | O29 | 44.3° | 20.0° |
| N11 | C12 | C13 | H22 | 61.8° | 53.8° |
| N11 | C12 | C13 | H23 | 178.7° | 66.2° |
| C17 | C12 | C13 | H1 | 121.7° | 119.9° |
| C12 | C17 | N18 | O29 | 178.2° | 180.0° |
| C12 | C17 | N18 | C19 | 179.5° | 175.1° |
| C17 | C12 | C13 | C14 | 174.6° | 66.1° |
| C17 | C12 | C13 | H22 | 54.3° | 173.9° |
| C17 | C12 | C13 | H23 | 65.2° | 53.9° |
| C17 | C12 | N11 | H31 | 118.4° | 28.0° |
| C12 | C17 | N18 | H32 | 0.5° | 4.8° |
| C13 | C12 | C17 | N18 | 107.8° | 80.1° |
| C12 | C13 | C14 | H22 | 120.3° | 120.0° |
| C12 | C13 | C14 | H23 | 120.3° | 119.9° |
| C12 | C13 | C14 | C15 | 171.9° | 67.6° |
| C13 | C12 | C17 | O29 | 74.0° | 100.0° |
| C12 | C13 | H22 | H23 | 119.2° | 120.0° |
| C12 | C13 | C14 | H24 | 72.3° | 52.3° |
| C13 | C12 | N11 | H31 | 0.9° | 92.0° |
| C17 | N18 | C19 | H32 | 180.0° | 179.9° |
| C17 | N18 | C19 | C27 | 116.5° | 92.5° |
| N18 | C17 | C12 | H1 | 13.8° | 39.9° |
| C17 | N18 | C19 | H25 | 2.0° | 27.6° |
| N18 | C19 | C27 | SG | 52.1° | 174.4° |
| C19 | N18 | C17 | O29 | 1.3° | 4.9° |
| N18 | C19 | C27 | H25 | 119.4° | 120.0° |
| N18 | C19 | C27 | O28 | 173.2° | 54.4° |
| N18 | C19 | C20 | H5 | 176.9° | 178.6° |
| N18 | C19 | C20 | H6 | 57.2° | 58.6° |
| N18 | C19 | C27 | H10 | 65.0° | 65.6° |
| SG | C27 | C19 | O28 | 121.1° | 120.0° |
| SG | C27 | C19 | H10 | 117.1° | 120.0° |
| SG | C27 | O28 | H10 | 120.8° | 120.0° |
| C27 | SG | O1 | O3 | 132.6° | 116.1° |
| C27 | SG | O1 | O2 | 132.6° | 116.1° |
| SG | C27 | C19 | H25 | 171.5° | 54.4° |
| SG | C27 | O28 | H34 | 180.0° | 180.0° |
| C27 | SG | O1 | H35 | 180.0° | 180.0° |
| C27 | SG | O3 | O2 | 90.0° | 131.5° |
| C13 | C14 | C15 | H24 | 115.8° | 120.0° |
| C14 | C13 | C12 | H1 | 63.7° | 53.9° |
| C13 | C14 | C15 | H2 | 53.3° | 54.3° |
| C13 | C14 | C15 | H3 | 66.8° | 174.3° |
| C13 | C14 | C15 | H4 | 173.2° | 65.7° |
| C13 | C14 | C16 | H13 | 180.0° | 60.1° |
| C13 | C14 | C16 | H14 | 60.0° | 179.9° |
| C13 | C14 | C16 | H15 | 60.0° | 60.0° |
| C14 | C13 | H22 | H23 | 119.2° | 120.0° |
| C14 | C15 | H2 | H3 | 120.0° | 120.0° |
| C14 | C15 | H2 | H4 | 120.0° | 120.0° |
| C14 | C15 | H3 | H4 | 120.0° | 120.0° |
| C15 | C14 | C16 | H13 | 55.1° | 180.0° |
| C15 | C14 | C16 | H14 | 64.9° | 60.0° |
| C15 | C14 | C16 | H15 | 175.1° | 59.9° |
| C15 | C14 | C13 | H22 | 67.8° | 52.4° |
| C15 | C14 | C13 | H23 | 51.6° | 172.4° |
| O29 | C17 | C12 | H1 | 164.4° | 140.1° |
| O29 | C17 | N18 | H32 | 178.7° | 175.2° |
| C19 | C27 | O28 | H10 | 120.2° | 120.0° |
| C19 | C27 | SG | O1 | 167.1° | 67.2° |
| C27 | C19 | C20 | H5 | 59.0° | 58.6° |
| C27 | C19 | C20 | H6 | 60.6° | 61.3° |
| C27 | C19 | N18 | H32 | 63.5° | 87.6° |
| C19 | C27 | O28 | H34 | 61.0° | 60.0° |
| C19 | C27 | SG | O3 | 77.7° | 178.9° |
| C19 | C27 | SG | O2 | 77.7° | 44.4° |
| O28 | C27 | SG | O1 | 49.3° | 172.8° |
| O28 | C27 | C19 | H25 | 67.4° | 65.6° |
| O28 | C27 | SG | O3 | 40.1° | 61.2° |
| O28 | C27 | SG | O2 | 40.1° | 75.6° |
| O1 | SG | C27 | H10 | 74.3° | 52.8° |
| O1 | SG | O3 | O2 | 90.0° | 116.7° |
| H1 | C12 | C13 | H22 | 176.0° | 66.2° |
| H1 | C12 | C13 | H23 | 56.5° | 173.8° |
| H1 | C12 | N11 | H31 | 122.3° | 148.0° |
| H2 | C15 | H3 | H4 | 120.0° | 120.0° |
| H2 | C15 | C14 | H24 | 62.5° | 174.4° |
| H3 | C15 | C14 | H24 | 177.4° | 65.7° |
| H4 | C15 | C14 | H24 | 57.4° | 54.3° |
| H5 | C20 | C21 | H7 | 176.4° | 176.7° |
| H5 | C20 | C19 | H25 | 61.6° | 61.4° |
| H6 | C20 | C21 | H7 | 64.0° | 63.4° |
| H6 | C20 | C19 | H25 | 178.8° | 178.6° |
| H7 | C21 | C25 | H9 | 121.6° | 147.9° |
| H7 | C21 | C25 | H37 | 0.3° | 24.1° |
| H8 | C24 | C25 | H9 | 124.9° | 26.3° |
| H8 | C24 | N23 | H33 | 61.3° | 44.0° |
| H8 | C24 | C25 | H37 | 3.0° | 97.5° |
| H9 | C25 | C24 | H36 | 4.4° | 148.2° |
| H10 | C27 | C19 | H25 | 54.4° | 174.4° |
| H10 | C27 | O28 | H34 | 59.2° | 60.0° |
| H10 | C27 | SG | O3 | 163.7° | 58.8° |
| H10 | C27 | SG | O2 | 163.7° | 164.5° |
| H11 | C31 | C08 | H26 | 37.1° | 25.2° |
| H12 | C31 | C08 | H26 | 164.6° | 156.0° |
| H13 | C16 | H14 | H15 | 120.0° | 120.0° |
| H13 | C16 | C14 | H24 | 62.3° | 60.0° |
| H14 | C16 | C14 | H24 | 177.7° | 60.0° |
| H15 | C16 | C14 | H24 | 57.7° | 179.9° |
| H16 | C04 | C05 | H18 | 51.2° | 172.8° |
| H16 | C04 | C05 | H19 | 68.7° | 52.8° |
| H17 | C04 | C05 | H18 | 66.9° | 52.5° |
| H17 | C04 | C05 | H19 | 173.2° | 67.6° |
| H20 | C07 | C08 | H26 | 163.9° | 156.1° |
| H21 | C07 | C08 | H26 | 35.6° | 25.2° |
| H22 | C13 | C14 | H24 | 48.0° | 172.4° |
| H23 | C13 | C14 | H24 | 167.5° | 67.6° |
| H25 | C19 | N18 | H32 | 178.0° | 152.3° |
| H27 | C32 | C33 | H29 | 22.6° | 52.4° |
| H27 | C32 | C33 | H30 | 94.2° | 172.8° |
| H28 | C32 | C33 | H29 | 139.5° | 67.7° |
| H28 | C32 | C33 | H30 | 22.8° | 52.7° |
| H33 | N23 | C24 | H36 | 59.2° | 78.0° |
| H35 | O1 | SG | O3 | 47.4° | 63.9° |
| H35 | O1 | SG | O2 | 47.4° | 63.9° |
| H36 | C24 | C25 | H37 | 117.4° | 24.4° |
