GIZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | C24 | sing | 1.51Å | 1.55Å | |
| C24 | O25 | doub | 1.21Å | 1.19Å | |
| C24 | C23 | sing | 1.46Å | 1.55Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| C28 | C27 | sing | 1.51Å | 1.55Å | |
| C23 | C27 | sing | 1.47Å | 1.41Å | Aromatic |
| C23 | C21 | doub | 1.38Å | 1.42Å | Aromatic |
| C27 | C19 | doub | 1.36Å | 1.40Å | Aromatic |
| C19 | C16 | sing | 1.48Å | 1.53Å | |
| C19 | N20 | sing | 1.37Å | 1.36Å | Aromatic |
| C21 | C22 | sing | 1.51Å | 1.55Å | |
| C21 | N20 | sing | 1.35Å | 1.34Å | Aromatic |
| C16 | C17 | doub | 1.35Å | 1.44Å | Aromatic |
| C16 | N15 | sing | 1.33Å | 1.48Å | Aromatic |
| C17 | S18 | sing | 1.76Å | 1.61Å | Aromatic |
| N15 | C14 | doub | 1.30Å | 1.38Å | Aromatic |
| S18 | C14 | sing | 1.76Å | 1.66Å | Aromatic |
| C14 | N11 | sing | 1.39Å | 1.46Å | |
| C10 | C09 | sing | 1.53Å | 1.54Å | |
| C10 | N11 | sing | 1.47Å | 1.46Å | |
| C09 | N08 | sing | 1.47Å | 1.39Å | |
| N11 | C12 | sing | 1.47Å | 1.46Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C13 | N08 | sing | 1.47Å | 1.37Å | |
| N08 | C07 | sing | 1.47Å | 1.31Å | |
| C07 | C06 | sing | 1.53Å | 1.64Å | |
| C30 | C06 | sing | 1.53Å | 1.46Å | |
| C30 | C31 | sing | 1.53Å | 1.55Å | |
| C06 | C05 | sing | 1.53Å | 1.46Å | |
| C31 | N03 | sing | 1.47Å | 1.46Å | |
| C05 | C04 | sing | 1.53Å | 1.54Å | |
| N03 | C02 | sing | 1.47Å | 1.20Å | |
| N03 | C04 | sing | 1.47Å | 1.45Å | |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| N20 | H3 | sing | 0.97Å | 1.00Å | |
| C26 | H4 | sing | 1.09Å | 1.10Å | |
| C26 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C28 | H8 | sing | 1.09Å | 1.10Å | |
| C30 | H9 | sing | 1.09Å | 1.10Å | |
| C30 | H10 | sing | 1.09Å | 1.10Å | |
| C31 | H11 | sing | 1.09Å | 1.10Å | |
| C31 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C01 | H14 | sing | 1.09Å | 1.10Å | |
| C01 | H15 | sing | 1.09Å | 1.10Å | |
| C02 | H16 | sing | 1.09Å | 1.10Å | |
| C02 | H17 | sing | 1.09Å | 1.10Å | |
| C04 | H18 | sing | 1.09Å | 1.10Å | |
| C04 | H19 | sing | 1.09Å | 1.10Å | |
| C05 | H20 | sing | 1.09Å | 1.10Å | |
| C05 | H21 | sing | 1.09Å | 1.10Å | |
| C06 | H22 | sing | 1.09Å | 1.10Å | |
| C07 | H23 | sing | 1.09Å | 1.10Å | |
| C07 | H24 | sing | 1.09Å | 1.10Å | |
| C09 | H25 | sing | 1.09Å | 1.10Å | |
| C09 | H26 | sing | 1.09Å | 1.10Å | |
| C10 | H27 | sing | 1.09Å | 1.10Å | |
| C10 | H28 | sing | 1.09Å | 1.10Å | |
| C12 | H29 | sing | 1.09Å | 1.10Å | |
| C12 | H30 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.08Å | 1.08Å | |
| C22 | H32 | sing | 1.09Å | 1.10Å | |
| C22 | H33 | sing | 1.09Å | 1.10Å | |
| C22 | H34 | sing | 1.09Å | 1.10Å | |
| C29 | H35 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| C29 | H37 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | C24 | O25 | 118.6° | 120.0° |
| C26 | C24 | C23 | 121.5° | 120.0° |
| C24 | C26 | H4 | 109.5° | 109.5° |
| C24 | C26 | H5 | 109.4° | 109.5° |
| C24 | C26 | H6 | 109.5° | 109.4° |
| O25 | C24 | C23 | 119.9° | 120.0° |
| C24 | C23 | C27 | 129.5° | 126.9° |
| C24 | C23 | C21 | 123.5° | 126.9° |
| C29 | C28 | C27 | 112.4° | 109.5° |
| C29 | C28 | H7 | 108.7° | 109.5° |
| C29 | C28 | H8 | 108.7° | 109.4° |
| C28 | C29 | H35 | 109.5° | 109.5° |
| C28 | C29 | H36 | 109.5° | 109.5° |
| C28 | C29 | H37 | 109.5° | 109.5° |
| C28 | C27 | C23 | 130.8° | 126.9° |
| C28 | C27 | C19 | 122.9° | 126.9° |
| C27 | C28 | H7 | 108.8° | 109.5° |
| C27 | C28 | H8 | 108.7° | 109.4° |
| C27 | C23 | C21 | 107.0° | 106.1° |
| C23 | C27 | C19 | 106.2° | 106.3° |
| C23 | C21 | C22 | 129.6° | 125.8° |
| C23 | C21 | N20 | 107.5° | 108.4° |
| C27 | C19 | C16 | 130.7° | 125.6° |
| C27 | C19 | N20 | 108.7° | 108.8° |
| C16 | C19 | N20 | 120.6° | 125.6° |
| C19 | C16 | C17 | 129.0° | 122.3° |
| C19 | C16 | N15 | 119.3° | 122.4° |
| C19 | N20 | C21 | 110.6° | 110.3° |
| C19 | N20 | H3 | 124.7° | 124.8° |
| C22 | C21 | N20 | 122.9° | 125.8° |
| C21 | C22 | H32 | 109.5° | 109.5° |
| C21 | C22 | H33 | 109.5° | 109.5° |
| C21 | C22 | H34 | 109.5° | 109.5° |
| C21 | N20 | H3 | 124.7° | 124.8° |
| C17 | C16 | N15 | 111.6° | 115.3° |
| C16 | C17 | S18 | 108.4° | 108.3° |
| C16 | C17 | H31 | 125.8° | 125.9° |
| C16 | N15 | C14 | 110.5° | 116.9° |
| C17 | S18 | C14 | 99.3° | 90.1° |
| S18 | C17 | H31 | 125.8° | 125.8° |
| N15 | C14 | S18 | 110.2° | 109.5° |
| N15 | C14 | N11 | 120.6° | 125.2° |
| S18 | C14 | N11 | 129.2° | 125.3° |
| C14 | N11 | C10 | 121.3° | 111.0° |
| C14 | N11 | C12 | 123.0° | 111.0° |
| C09 | C10 | N11 | 117.3° | 109.3° |
| C10 | C09 | N08 | 115.0° | 109.4° |
| C10 | C09 | H25 | 108.1° | 109.5° |
| C10 | C09 | H26 | 108.1° | 109.5° |
| C09 | C10 | H27 | 107.5° | 109.5° |
| C09 | C10 | H28 | 107.5° | 109.5° |
| C10 | N11 | C12 | 115.6° | 110.9° |
| N11 | C10 | H27 | 107.5° | 109.5° |
| N11 | C10 | H28 | 107.5° | 109.4° |
| C09 | N08 | C13 | 110.4° | 110.8° |
| C09 | N08 | C07 | 110.1° | 111.0° |
| N08 | C09 | H25 | 108.1° | 109.5° |
| N08 | C09 | H26 | 108.1° | 109.5° |
| N11 | C12 | C13 | 112.8° | 109.3° |
| N11 | C12 | H29 | 108.6° | 109.5° |
| N11 | C12 | H30 | 108.6° | 109.5° |
| C12 | C13 | N08 | 109.5° | 109.4° |
| C12 | C13 | H1 | 109.5° | 109.4° |
| C12 | C13 | H2 | 109.5° | 109.5° |
| C13 | C12 | H29 | 108.6° | 109.5° |
| C13 | C12 | H30 | 108.6° | 109.5° |
| C13 | N08 | C07 | 111.9° | 111.0° |
| N08 | C13 | H1 | 109.5° | 109.5° |
| N08 | C13 | H2 | 109.5° | 109.5° |
| N08 | C07 | C06 | 113.3° | 109.5° |
| N08 | C07 | H23 | 108.5° | 109.4° |
| N08 | C07 | H24 | 108.5° | 109.5° |
| C07 | C06 | C30 | 110.8° | 109.5° |
| C07 | C06 | C05 | 109.6° | 109.6° |
| C07 | C06 | H22 | 106.1° | 109.5° |
| C06 | C07 | H23 | 108.5° | 109.5° |
| C06 | C07 | H24 | 108.5° | 109.5° |
| C06 | C30 | C31 | 114.8° | 109.3° |
| C30 | C06 | C05 | 113.9° | 109.1° |
| C06 | C30 | H9 | 108.1° | 109.5° |
| C06 | C30 | H10 | 108.1° | 109.5° |
| C30 | C06 | H22 | 108.0° | 109.5° |
| C30 | C31 | N03 | 113.0° | 109.5° |
| C31 | C30 | H9 | 108.1° | 109.5° |
| C31 | C30 | H10 | 108.1° | 109.5° |
| C30 | C31 | H11 | 108.6° | 109.5° |
| C30 | C31 | H12 | 108.6° | 109.5° |
| C06 | C05 | C04 | 114.4° | 109.3° |
| C06 | C05 | H20 | 108.2° | 109.5° |
| C06 | C05 | H21 | 108.2° | 109.5° |
| C05 | C06 | H22 | 108.1° | 109.5° |
| C31 | N03 | C02 | 112.4° | 111.0° |
| C31 | N03 | C04 | 115.1° | 111.2° |
| N03 | C31 | H11 | 108.6° | 109.4° |
| N03 | C31 | H12 | 108.6° | 109.4° |
| C05 | C04 | N03 | 114.7° | 109.5° |
| C05 | C04 | H18 | 108.2° | 109.5° |
| C05 | C04 | H19 | 108.2° | 109.5° |
| C04 | C05 | H20 | 108.2° | 109.5° |
| C04 | C05 | H21 | 108.2° | 109.5° |
| C02 | N03 | C04 | 110.1° | 111.0° |
| N03 | C02 | C01 | 110.5° | 109.5° |
| N03 | C02 | H16 | 109.2° | 109.5° |
| N03 | C02 | H17 | 109.2° | 109.5° |
| N03 | C04 | H18 | 108.2° | 109.4° |
| N03 | C04 | H19 | 108.1° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.4° |
| C02 | C01 | H14 | 109.5° | 109.5° |
| C02 | C01 | H15 | 109.5° | 109.5° |
| C01 | C02 | H16 | 109.2° | 109.5° |
| C01 | C02 | H17 | 109.2° | 109.4° |
| H1 | C13 | H2 | 109.4° | 109.5° |
| H4 | C26 | H5 | 109.5° | 109.4° |
| H4 | C26 | H6 | 109.4° | 109.4° |
| H5 | C26 | H6 | 109.5° | 109.5° |
| H7 | C28 | H8 | 109.4° | 109.5° |
| H9 | C30 | H10 | 109.5° | 109.6° |
| H11 | C31 | H12 | 109.4° | 109.5° |
| H13 | C01 | H14 | 109.5° | 109.5° |
| H13 | C01 | H15 | 109.5° | 109.4° |
| H14 | C01 | H15 | 109.5° | 109.5° |
| H16 | C02 | H17 | 109.4° | 109.4° |
| H18 | C04 | H19 | 109.5° | 109.4° |
| H20 | C05 | H21 | 109.5° | 109.5° |
| H23 | C07 | H24 | 109.5° | 109.5° |
| H25 | C09 | H26 | 109.5° | 109.5° |
| H27 | C10 | H28 | 109.4° | 109.6° |
| H29 | C12 | H30 | 109.5° | 109.6° |
| H32 | C22 | H33 | 109.5° | 109.5° |
| H32 | C22 | H34 | 109.5° | 109.5° |
| H33 | C22 | H34 | 109.4° | 109.5° |
| H35 | C29 | H36 | 109.5° | 109.5° |
| H35 | C29 | H37 | 109.5° | 109.5° |
| H36 | C29 | H37 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | C24 | O25 | C23 | 178.6° | 179.9° |
| C26 | C24 | C23 | C27 | 19.7° | 92.2° |
| C26 | C24 | C23 | C21 | 159.9° | 88.2° |
| C24 | C26 | H4 | H5 | 120.0° | 120.1° |
| C24 | C26 | H4 | H6 | 120.0° | 120.0° |
| C24 | C26 | H5 | H6 | 120.0° | 120.0° |
| O25 | C24 | C23 | C27 | 161.7° | 87.7° |
| O25 | C24 | C23 | C21 | 18.6° | 91.9° |
| O25 | C24 | C26 | H4 | 0.0° | 4.9° |
| O25 | C24 | C26 | H5 | 120.0° | 124.9° |
| O25 | C24 | C26 | H6 | 120.0° | 115.0° |
| C24 | C23 | C27 | C28 | 1.2° | 0.3° |
| C24 | C23 | C27 | C21 | 179.7° | 179.7° |
| C24 | C23 | C27 | C19 | 179.5° | 180.0° |
| C24 | C23 | C21 | C22 | 0.2° | 0.1° |
| C24 | C23 | C21 | N20 | 179.5° | 179.8° |
| C23 | C24 | C26 | H4 | 178.6° | 175.0° |
| C23 | C24 | C26 | H5 | 58.6° | 55.0° |
| C23 | C24 | C26 | H6 | 61.4° | 65.0° |
| C29 | C28 | C27 | H7 | 120.4° | 120.0° |
| C29 | C28 | C27 | H8 | 120.4° | 120.0° |
| C29 | C28 | C27 | C23 | 73.6° | 89.9° |
| C29 | C28 | C27 | C19 | 105.6° | 90.4° |
| C29 | C28 | H7 | H8 | 118.7° | 120.0° |
| C28 | C29 | H35 | H36 | 120.0° | 120.0° |
| C28 | C29 | H35 | H37 | 120.0° | 120.0° |
| C28 | C29 | H36 | H37 | 120.0° | 120.0° |
| C28 | C27 | C23 | C19 | 179.3° | 179.7° |
| C28 | C27 | C23 | C21 | 179.1° | 180.0° |
| C28 | C27 | C19 | C16 | 0.5° | 0.1° |
| C28 | C27 | C19 | N20 | 179.2° | 179.9° |
| C27 | C28 | H7 | H8 | 118.7° | 120.0° |
| C27 | C28 | C29 | H35 | 180.0° | 180.0° |
| C27 | C28 | C29 | H36 | 60.0° | 60.0° |
| C27 | C28 | C29 | H37 | 60.0° | 60.0° |
| C23 | C27 | C19 | C16 | 178.9° | 179.8° |
| C23 | C27 | C19 | N20 | 0.2° | 0.3° |
| C27 | C23 | C21 | C22 | 179.5° | 179.8° |
| C27 | C23 | C21 | N20 | 0.2° | 0.2° |
| C23 | C27 | C28 | H7 | 166.0° | 150.0° |
| C23 | C27 | C28 | H8 | 46.8° | 30.0° |
| C21 | C23 | C27 | C19 | 0.2° | 0.3° |
| C23 | C21 | N20 | C19 | 0.2° | 0.0° |
| C23 | C21 | C22 | N20 | 179.2° | 179.9° |
| C23 | C21 | N20 | H3 | 179.8° | 180.0° |
| C23 | C21 | C22 | H32 | 90.5° | 93.9° |
| C23 | C21 | C22 | H33 | 149.5° | 26.1° |
| C23 | C21 | C22 | H34 | 29.6° | 146.1° |
| C27 | C19 | C16 | N20 | 178.6° | 179.8° |
| C27 | C19 | N20 | C21 | 0.0° | 0.2° |
| C27 | C19 | C16 | C17 | 30.9° | 154.8° |
| C27 | C19 | C16 | N15 | 153.8° | 25.1° |
| C27 | C19 | N20 | H3 | 180.0° | 179.8° |
| C19 | C27 | C28 | H7 | 14.8° | 29.7° |
| C19 | C27 | C28 | H8 | 133.9° | 149.6° |
| C16 | C19 | N20 | C21 | 178.9° | 179.9° |
| C19 | C16 | C17 | N15 | 175.6° | 179.8° |
| C19 | C16 | C17 | S18 | 177.2° | 180.0° |
| C19 | C16 | N15 | C14 | 178.0° | 179.8° |
| C16 | C19 | N20 | H3 | 1.1° | 0.0° |
| C19 | C16 | C17 | H31 | 2.8° | 0.1° |
| C19 | N20 | C21 | C22 | 179.5° | 180.0° |
| C19 | N20 | C21 | H3 | 180.0° | 179.9° |
| N20 | C19 | C16 | C17 | 147.7° | 25.0° |
| N20 | C19 | C16 | N15 | 27.6° | 155.1° |
| C22 | C21 | N20 | H3 | 0.5° | 0.1° |
| C21 | C22 | H32 | H33 | 120.0° | 120.0° |
| C21 | C22 | H32 | H34 | 120.0° | 120.0° |
| C21 | C22 | H33 | H34 | 120.0° | 120.0° |
| N20 | C21 | C22 | H32 | 90.3° | 86.0° |
| N20 | C21 | C22 | H33 | 29.7° | 154.0° |
| N20 | C21 | C22 | H34 | 149.6° | 34.0° |
| C16 | C17 | S18 | H31 | 180.0° | 179.9° |
| C17 | C16 | N15 | C14 | 1.9° | 0.1° |
| C16 | C17 | S18 | C14 | 0.7° | 0.2° |
| N15 | C16 | C17 | S18 | 1.6° | 0.1° |
| C16 | N15 | C14 | S18 | 1.4° | 0.3° |
| C16 | N15 | C14 | N11 | 179.5° | 180.0° |
| N15 | C16 | C17 | H31 | 178.4° | 180.0° |
| C17 | S18 | C14 | N15 | 0.5° | 0.3° |
| C17 | S18 | C14 | N11 | 179.5° | 180.0° |
| N15 | C14 | S18 | N11 | 179.0° | 179.7° |
| N15 | C14 | N11 | C10 | 12.8° | 180.0° |
| N15 | C14 | N11 | C12 | 163.8° | 56.2° |
| S18 | C14 | N11 | C10 | 168.3° | 0.3° |
| S18 | C14 | N11 | C12 | 15.1° | 123.5° |
| C14 | S18 | C17 | H31 | 179.3° | 179.9° |
| C14 | N11 | C10 | C09 | 166.9° | 176.8° |
| C14 | N11 | C10 | C12 | 176.8° | 123.8° |
| C14 | N11 | C12 | C13 | 152.1° | 176.8° |
| C14 | N11 | C10 | H27 | 72.0° | 63.2° |
| C14 | N11 | C10 | H28 | 45.7° | 56.9° |
| C14 | N11 | C12 | H29 | 87.4° | 56.9° |
| C14 | N11 | C12 | H30 | 31.7° | 63.3° |
| C09 | C10 | N11 | H27 | 121.1° | 120.0° |
| C09 | C10 | N11 | H28 | 121.1° | 119.9° |
| C10 | C09 | N08 | H25 | 120.8° | 120.0° |
| C10 | C09 | N08 | H26 | 120.8° | 120.0° |
| C09 | C10 | N11 | C12 | 16.3° | 59.4° |
| C10 | C09 | N08 | C13 | 53.0° | 59.4° |
| C10 | C09 | N08 | C07 | 177.0° | 176.8° |
| C10 | C09 | H25 | H26 | 117.5° | 120.1° |
| C09 | C10 | H27 | H28 | 116.4° | 120.1° |
| N11 | C10 | C09 | N08 | 26.2° | 58.5° |
| C10 | N11 | C12 | C13 | 31.1° | 59.3° |
| N11 | C10 | C09 | H25 | 94.7° | 61.5° |
| N11 | C10 | C09 | H26 | 147.0° | 178.4° |
| N11 | C10 | H27 | H28 | 116.4° | 120.0° |
| C10 | N11 | C12 | H29 | 89.4° | 179.3° |
| C10 | N11 | C12 | H30 | 151.6° | 60.6° |
| C09 | N08 | C13 | C12 | 68.8° | 59.4° |
| C09 | N08 | C13 | C07 | 123.0° | 123.8° |
| C09 | N08 | C07 | C06 | 174.3° | 160.4° |
| C09 | N08 | C13 | H1 | 171.2° | 179.3° |
| C09 | N08 | C13 | H2 | 51.2° | 60.7° |
| C09 | N08 | C07 | H23 | 53.7° | 40.5° |
| C09 | N08 | C07 | H24 | 65.1° | 79.6° |
| N08 | C09 | H25 | H26 | 117.5° | 120.0° |
| N08 | C09 | C10 | H27 | 95.0° | 61.5° |
| N08 | C09 | C10 | H28 | 147.3° | 178.3° |
| N11 | C12 | C13 | H29 | 120.5° | 120.0° |
| N11 | C12 | C13 | H30 | 120.5° | 119.9° |
| N11 | C12 | C13 | N08 | 58.1° | 58.4° |
| N11 | C12 | C13 | H1 | 178.1° | 178.4° |
| N11 | C12 | C13 | H2 | 62.0° | 61.6° |
| C12 | N11 | C10 | H27 | 104.9° | 60.6° |
| C12 | N11 | C10 | H28 | 137.4° | 179.3° |
| N11 | C12 | H29 | H30 | 118.5° | 120.1° |
| C12 | C13 | N08 | H1 | 120.0° | 119.9° |
| C12 | C13 | N08 | H2 | 120.0° | 120.0° |
| C12 | C13 | N08 | C07 | 168.2° | 176.8° |
| C12 | C13 | H1 | H2 | 120.0° | 120.0° |
| C13 | C12 | H29 | H30 | 118.5° | 120.1° |
| C13 | N08 | C07 | C06 | 51.1° | 75.9° |
| N08 | C13 | H1 | H2 | 120.0° | 120.1° |
| C13 | N08 | C07 | H23 | 69.4° | 164.2° |
| C13 | N08 | C07 | H24 | 171.7° | 44.2° |
| C13 | N08 | C09 | H25 | 67.8° | 60.7° |
| C13 | N08 | C09 | H26 | 173.8° | 179.3° |
| N08 | C13 | C12 | H29 | 62.4° | 178.4° |
| N08 | C13 | C12 | H30 | 178.6° | 61.5° |
| N08 | C07 | C06 | H23 | 120.6° | 119.9° |
| N08 | C07 | C06 | H24 | 120.6° | 120.1° |
| N08 | C07 | C06 | C30 | 166.6° | 176.3° |
| N08 | C07 | C06 | C05 | 66.8° | 64.0° |
| C07 | N08 | C13 | H1 | 48.1° | 56.9° |
| C07 | N08 | C13 | H2 | 71.8° | 63.2° |
| N08 | C07 | C06 | H22 | 49.6° | 56.2° |
| N08 | C07 | H23 | H24 | 118.3° | 120.0° |
| C07 | N08 | C09 | H25 | 56.2° | 63.2° |
| C07 | N08 | C09 | H26 | 62.2° | 56.8° |
| C07 | C06 | C30 | C05 | 124.2° | 120.0° |
| C07 | C06 | C30 | H22 | 115.8° | 120.1° |
| C07 | C06 | C30 | C31 | 105.4° | 177.6° |
| C07 | C06 | C05 | H22 | 115.2° | 120.2° |
| C07 | C06 | C05 | C04 | 156.1° | 177.6° |
| C07 | C06 | C30 | H9 | 133.8° | 57.7° |
| C07 | C06 | C30 | H10 | 15.4° | 62.5° |
| C07 | C06 | C05 | H20 | 35.3° | 62.4° |
| C07 | C06 | C05 | H21 | 83.2° | 57.6° |
| C06 | C07 | H23 | H24 | 118.3° | 120.0° |
| C06 | C30 | C31 | H9 | 120.8° | 119.9° |
| C06 | C30 | C31 | H10 | 120.8° | 119.9° |
| C30 | C06 | C05 | H22 | 120.0° | 119.9° |
| C06 | C30 | C31 | N03 | 54.1° | 59.2° |
| C30 | C06 | C05 | C04 | 31.3° | 57.6° |
| C06 | C30 | H9 | H10 | 117.6° | 120.1° |
| C06 | C30 | C31 | H11 | 174.6° | 60.8° |
| C06 | C30 | C31 | H12 | 66.5° | 179.2° |
| C30 | C06 | C05 | H20 | 89.5° | 177.6° |
| C30 | C06 | C05 | H21 | 152.0° | 62.4° |
| C30 | C06 | C07 | H23 | 46.1° | 63.8° |
| C30 | C06 | C07 | H24 | 72.8° | 56.2° |
| C31 | C30 | C06 | C05 | 18.8° | 57.6° |
| C30 | C31 | N03 | H11 | 120.5° | 120.1° |
| C30 | C31 | N03 | H12 | 120.6° | 120.0° |
| C30 | C31 | N03 | C02 | 93.5° | 174.1° |
| C30 | C31 | N03 | C04 | 33.6° | 61.8° |
| C31 | C30 | H9 | H10 | 117.6° | 120.1° |
| C30 | C31 | H11 | H12 | 118.4° | 120.0° |
| C31 | C30 | C06 | H22 | 138.8° | 62.2° |
| C06 | C05 | C04 | H20 | 120.7° | 120.0° |
| C06 | C05 | C04 | H21 | 120.7° | 120.0° |
| C06 | C05 | C04 | N03 | 51.8° | 59.2° |
| C05 | C06 | C30 | H9 | 102.0° | 62.3° |
| C05 | C06 | C30 | H10 | 139.5° | 177.5° |
| C06 | C05 | C04 | H18 | 172.6° | 179.2° |
| C06 | C05 | C04 | H19 | 69.0° | 60.9° |
| C06 | C05 | H20 | H21 | 117.7° | 120.0° |
| C05 | C06 | C07 | H23 | 172.6° | 55.9° |
| C05 | C06 | C07 | H24 | 53.8° | 175.9° |
| C31 | N03 | C04 | C05 | 16.1° | 61.7° |
| C31 | N03 | C02 | C04 | 129.7° | 124.2° |
| C31 | N03 | C02 | C01 | 126.1° | 170.0° |
| N03 | C31 | C30 | H9 | 66.7° | 60.7° |
| N03 | C31 | C30 | H10 | 174.8° | 179.1° |
| N03 | C31 | H11 | H12 | 118.4° | 119.9° |
| C31 | N03 | C02 | H16 | 113.7° | 50.0° |
| C31 | N03 | C02 | H17 | 5.9° | 70.0° |
| C31 | N03 | C04 | H18 | 136.8° | 178.2° |
| C31 | N03 | C04 | H19 | 104.7° | 58.3° |
| C05 | C04 | N03 | C02 | 144.2° | 174.1° |
| C05 | C04 | N03 | H18 | 120.8° | 120.1° |
| C05 | C04 | N03 | H19 | 120.8° | 120.0° |
| C05 | C04 | H18 | H19 | 117.7° | 120.0° |
| C04 | C05 | H20 | H21 | 117.8° | 120.1° |
| C04 | C05 | C06 | H22 | 88.8° | 62.2° |
| N03 | C02 | C01 | H16 | 120.2° | 120.0° |
| N03 | C02 | C01 | H17 | 120.1° | 120.0° |
| C02 | N03 | C31 | H11 | 27.1° | 65.8° |
| C02 | N03 | C31 | H12 | 146.0° | 54.1° |
| N03 | C02 | C01 | H13 | 180.0° | 60.0° |
| N03 | C02 | C01 | H14 | 60.0° | 60.0° |
| N03 | C02 | C01 | H15 | 60.0° | 180.0° |
| N03 | C02 | H16 | H17 | 119.5° | 120.0° |
| C02 | N03 | C04 | H18 | 95.0° | 54.1° |
| C02 | N03 | C04 | H19 | 23.5° | 65.8° |
| C04 | N03 | C02 | C01 | 104.3° | 65.7° |
| C04 | N03 | C31 | H11 | 154.1° | 58.3° |
| C04 | N03 | C31 | H12 | 87.0° | 178.2° |
| C04 | N03 | C02 | H16 | 15.9° | 174.2° |
| C04 | N03 | C02 | H17 | 135.6° | 54.2° |
| N03 | C04 | H18 | H19 | 117.6° | 119.9° |
| N03 | C04 | C05 | H20 | 68.9° | 179.1° |
| N03 | C04 | C05 | H21 | 172.5° | 60.8° |
| C02 | C01 | H13 | H14 | 120.0° | 120.0° |
| C02 | C01 | H13 | H15 | 120.0° | 120.0° |
| C02 | C01 | H14 | H15 | 120.0° | 120.1° |
| C01 | C02 | H16 | H17 | 119.6° | 120.0° |
| H1 | C13 | C12 | H29 | 57.6° | 61.7° |
| H1 | C13 | C12 | H30 | 61.4° | 58.5° |
| H2 | C13 | C12 | H29 | 177.5° | 58.3° |
| H2 | C13 | C12 | H30 | 58.5° | 178.5° |
| H4 | C26 | H5 | H6 | 120.0° | 119.9° |
| H7 | C28 | C29 | H35 | 59.5° | 60.0° |
| H7 | C28 | C29 | H36 | 60.5° | NaN° |
| H7 | C28 | C29 | H37 | 179.6° | 60.1° |
| H8 | C28 | C29 | H35 | 59.6° | 60.0° |
| H8 | C28 | C29 | H36 | 179.6° | 60.0° |
| H8 | C28 | C29 | H37 | 60.5° | 180.0° |
| H9 | C30 | C31 | H11 | 53.8° | 179.2° |
| H9 | C30 | C31 | H12 | 172.8° | 59.2° |
| H9 | C30 | C06 | H22 | 18.0° | 177.8° |
| H10 | C30 | C31 | H11 | 64.6° | 59.1° |
| H10 | C30 | C31 | H12 | 54.3° | 60.9° |
| H10 | C30 | C06 | H22 | 100.4° | 57.7° |
| H13 | C01 | H14 | H15 | 120.0° | 120.0° |
| H13 | C01 | C02 | H16 | 59.9° | 60.0° |
| H13 | C01 | C02 | H17 | 59.8° | 180.0° |
| H14 | C01 | C02 | H16 | 179.8° | NaN° |
| H14 | C01 | C02 | H17 | 60.2° | 60.0° |
| H15 | C01 | C02 | H16 | 60.2° | 60.0° |
| H15 | C01 | C02 | H17 | 179.9° | 60.0° |
| H18 | C04 | C05 | H20 | 51.8° | 60.9° |
| H18 | C04 | C05 | H21 | 66.7° | 59.2° |
| H19 | C04 | C05 | H20 | 170.3° | 59.1° |
| H19 | C04 | C05 | H21 | 51.8° | 179.2° |
| H20 | C05 | C06 | H22 | 150.5° | 57.8° |
| H21 | C05 | C06 | H22 | 32.0° | 177.8° |
| H22 | C06 | C07 | H23 | 70.9° | 176.1° |
| H22 | C06 | C07 | H24 | 170.2° | 63.9° |
| H25 | C09 | C10 | H27 | 144.2° | 178.5° |
| H25 | C09 | C10 | H28 | 26.5° | 58.3° |
| H26 | C09 | C10 | H27 | 25.9° | 58.4° |
| H26 | C09 | C10 | H28 | 91.9° | 61.7° |
| H32 | C22 | H33 | H34 | 120.0° | 120.0° |
| H35 | C29 | H36 | H37 | 120.0° | 120.0° |
