T7K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C4 | C3 | sing | 1.55Å | 1.55Å | |
| C4 | N3 | sing | 1.50Å | 1.50Å | |
| C2 | C1 | sing | 1.55Å | 1.55Å | |
| C2 | N2 | sing | 1.50Å | 1.48Å | |
| C3 | N2 | sing | 1.50Å | 1.49Å | |
| C1 | N1 | sing | 1.50Å | 1.48Å | |
| C7 | C8 | sing | 1.55Å | 1.56Å | |
| C7 | N4 | sing | 1.50Å | 1.48Å | |
| C6 | C5 | sing | 1.55Å | 1.57Å | |
| C6 | N4 | sing | 1.50Å | 1.48Å | |
| C8 | N1 | sing | 1.50Å | 1.47Å | |
| C12 | C11 | sing | 1.52Å | 1.55Å | |
| C12 | N2 | sing | 1.48Å | 1.47Å | |
| C16 | C01 | sing | 1.52Å | 1.56Å | |
| C16 | N4 | sing | 1.50Å | 1.49Å | |
| C13 | C14 | sing | 1.52Å | 1.54Å | |
| C13 | O6 | sing | 1.25Å | 1.26Å | |
| C13 | O5 | doub | 1.25Å | 1.26Å | |
| C9 | O2 | sing | 1.24Å | 1.26Å | |
| C9 | O1 | doub | 1.25Å | 1.26Å | |
| C9 | C10 | sing | 1.52Å | 1.55Å | |
| C5 | N3 | sing | 1.50Å | 1.47Å | |
| C11 | O3 | doub | 1.25Å | 1.27Å | |
| C11 | O4 | sing | 1.24Å | 1.26Å | |
| N1 | C10 | sing | 1.48Å | 1.48Å | |
| YB | N2 | sing | 2.07Å | 2.33Å | |
| C01 | C02 | doub | 1.39Å | 1.55Å | Aromatic |
| C01 | C06 | sing | 1.39Å | 1.31Å | Aromatic |
| C02 | C03 | sing | 1.39Å | 1.32Å | Aromatic |
| C03 | C04 | doub | 1.38Å | 1.53Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.33Å | Aromatic |
| C04 | O01 | sing | 1.37Å | 1.42Å | |
| C05 | C06 | doub | 1.38Å | 1.55Å | Aromatic |
| C14 | N3 | sing | 1.48Å | 1.47Å | |
| N1 | YB | sing | 2.31Å | 3.06Å | |
| YB | N3 | sing | 2.11Å | 2.45Å | |
| N4 | YB | sing | 2.30Å | 2.53Å | |
| YB | O2 | sing | 3.03Å | 2.90Å | |
| YB | O4 | sing | 3.17Å | 2.84Å | |
| YB | O6 | sing | 3.07Å | 2.86Å | |
| C4 | H1 | sing | 0.98Å | 1.10Å | |
| C4 | H2 | sing | 0.98Å | 1.10Å | |
| C2 | H3 | sing | 0.98Å | 1.10Å | |
| C2 | H4 | sing | 0.98Å | 1.10Å | |
| C3 | H5 | sing | 0.98Å | 1.10Å | |
| C3 | H6 | sing | 0.98Å | 1.10Å | |
| C1 | H7 | sing | 0.98Å | 1.10Å | |
| C1 | H8 | sing | 0.98Å | 1.10Å | |
| C7 | H9 | sing | 0.98Å | 1.10Å | |
| C7 | H10 | sing | 0.98Å | 1.10Å | |
| C6 | H11 | sing | 0.98Å | 1.10Å | |
| C6 | H12 | sing | 0.98Å | 1.10Å | |
| C8 | H13 | sing | 0.98Å | 1.10Å | |
| C8 | H14 | sing | 0.98Å | 1.10Å | |
| C12 | H15 | sing | 0.98Å | 1.10Å | |
| C12 | H16 | sing | 0.98Å | 1.10Å | |
| C16 | H17 | sing | 0.99Å | 1.10Å | |
| C16 | H18 | sing | 0.99Å | 1.10Å | |
| C5 | H19 | sing | 0.98Å | 1.10Å | |
| C5 | H20 | sing | 0.98Å | 1.10Å | |
| C02 | H21 | sing | 0.94Å | 1.08Å | |
| C03 | H22 | sing | 0.94Å | 1.08Å | |
| C05 | H23 | sing | 0.94Å | 1.08Å | |
| C06 | H24 | sing | 0.94Å | 1.08Å | |
| C10 | H25 | sing | 0.98Å | 1.10Å | |
| C10 | H26 | sing | 0.98Å | 1.10Å | |
| C14 | H27 | sing | 0.98Å | 1.10Å | |
| C14 | H28 | sing | 0.98Å | 1.10Å | |
| O01 | H29 | sing | 0.86Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | N3 | 109.9° | 116.9° |
| C4 | C3 | N2 | 109.8° | 117.7° |
| C3 | C4 | H1 | 109.4° | 107.8° |
| C3 | C4 | H2 | 109.4° | 107.4° |
| C4 | C3 | H5 | 109.4° | 107.3° |
| C4 | C3 | H6 | 109.4° | 107.4° |
| C4 | N3 | C5 | 109.4° | 118.5° |
| C4 | N3 | C14 | 109.3° | 113.9° |
| C4 | N3 | YB | 107.5° | 96.8° |
| N3 | C4 | H1 | 109.4° | 109.4° |
| N3 | C4 | H2 | 109.4° | 108.9° |
| C1 | C2 | N2 | 109.3° | 118.7° |
| C2 | C1 | N1 | 110.3° | 115.8° |
| C1 | C2 | H3 | 109.5° | 107.5° |
| C1 | C2 | H4 | 109.5° | 106.8° |
| C2 | C1 | H7 | 109.3° | 107.6° |
| C2 | C1 | H8 | 109.3° | 108.1° |
| C2 | N2 | C3 | 109.6° | 116.8° |
| C2 | N2 | C12 | 109.6° | 112.8° |
| C2 | N2 | YB | 107.0° | 89.7° |
| N2 | C2 | H3 | 109.5° | 108.3° |
| N2 | C2 | H4 | 109.5° | 108.6° |
| C3 | N2 | C12 | 109.3° | 113.9° |
| C3 | N2 | YB | 114.0° | 96.3° |
| N2 | C3 | H5 | 109.4° | 109.2° |
| N2 | C3 | H6 | 109.4° | 108.6° |
| C1 | N1 | C8 | 109.4° | 118.3° |
| C1 | N1 | C10 | 111.9° | 114.6° |
| C1 | N1 | YB | 84.2° | 90.8° |
| N1 | C1 | H7 | 109.3° | 109.1° |
| N1 | C1 | H8 | 109.3° | 109.4° |
| C8 | C7 | N4 | 109.4° | 114.3° |
| C7 | C8 | N1 | 110.2° | 115.9° |
| C8 | C7 | H9 | 109.5° | 107.9° |
| C8 | C7 | H10 | 109.5° | 108.5° |
| C7 | C8 | H13 | 109.3° | 107.6° |
| C7 | C8 | H14 | 109.3° | 108.1° |
| C7 | N4 | C6 | 110.1° | 116.7° |
| C7 | N4 | C16 | 110.5° | 114.0° |
| C7 | N4 | YB | 104.0° | 94.5° |
| N4 | C7 | H9 | 109.5° | 109.6° |
| N4 | C7 | H10 | 109.5° | 109.6° |
| C5 | C6 | N4 | 109.6° | 116.6° |
| C6 | C5 | N3 | 109.6° | 116.0° |
| C5 | C6 | H11 | 109.4° | 107.9° |
| C5 | C6 | H12 | 109.5° | 107.2° |
| C6 | C5 | H19 | 109.5° | 107.8° |
| C6 | C5 | H20 | 109.4° | 107.7° |
| C6 | N4 | C16 | 110.1° | 111.9° |
| C6 | N4 | YB | 101.2° | 83.1° |
| N4 | C6 | H11 | 109.4° | 109.2° |
| N4 | C6 | H12 | 109.4° | 109.0° |
| C8 | N1 | C10 | 109.4° | 112.6° |
| C8 | N1 | YB | 78.0° | 93.8° |
| N1 | C8 | H13 | 109.3° | 109.1° |
| N1 | C8 | H14 | 109.3° | 109.1° |
| C11 | C12 | N2 | 109.4° | 115.5° |
| C12 | C11 | O3 | 120.1° | 118.0° |
| C12 | C11 | O4 | 119.9° | 116.2° |
| C11 | C12 | H15 | 109.5° | 108.3° |
| C11 | C12 | H16 | 109.5° | 107.5° |
| C12 | N2 | YB | 107.2° | 125.0° |
| N2 | C12 | H15 | 109.5° | 108.7° |
| N2 | C12 | H16 | 109.5° | 109.6° |
| C01 | C16 | N4 | 110.4° | 121.7° |
| C16 | C01 | C02 | 120.1° | 121.4° |
| C16 | C01 | C06 | 120.1° | 121.0° |
| C01 | C16 | H17 | 109.2° | 106.8° |
| C01 | C16 | H18 | 109.2° | 106.7° |
| C16 | N4 | YB | 120.4° | 133.7° |
| N4 | C16 | H17 | 109.2° | 107.3° |
| N4 | C16 | H18 | 109.2° | 107.5° |
| C14 | C13 | O6 | 120.2° | 115.9° |
| C14 | C13 | O5 | 119.9° | 118.2° |
| C13 | C14 | N3 | 110.0° | 115.1° |
| C13 | C14 | H27 | 109.3° | 108.5° |
| C13 | C14 | H28 | 109.3° | 107.6° |
| O6 | C13 | O5 | 119.9° | 125.9° |
| C13 | O6 | YB | 111.8° | 104.4° |
| O2 | C9 | O1 | 119.3° | 125.8° |
| O2 | C9 | C10 | 117.6° | 116.1° |
| C9 | O2 | YB | 70.9° | 108.7° |
| O1 | C9 | C10 | 123.1° | 118.0° |
| C9 | C10 | N1 | 117.1° | 114.6° |
| C9 | C10 | H25 | 107.5° | 107.6° |
| C9 | C10 | H26 | 107.5° | 108.7° |
| C5 | N3 | C14 | 109.3° | 112.2° |
| C5 | N3 | YB | 104.3° | 90.4° |
| N3 | C5 | H19 | 109.4° | 108.9° |
| N3 | C5 | H20 | 109.5° | 109.4° |
| O3 | C11 | O4 | 120.0° | 125.9° |
| C11 | O4 | YB | 102.0° | 102.6° |
| C10 | N1 | YB | 53.1° | 124.3° |
| N1 | C10 | H25 | 107.5° | 109.6° |
| N1 | C10 | H26 | 107.5° | 109.2° |
| N2 | YB | N1 | 73.1° | 96.5° |
| N2 | YB | N3 | 74.1° | 97.1° |
| N2 | YB | N4 | 113.4° | 132.4° |
| N2 | YB | O2 | 109.9° | 104.0° |
| N2 | YB | O4 | 69.3° | 61.4° |
| N2 | YB | O6 | 122.0° | 89.5° |
| C02 | C01 | C06 | 119.9° | 117.5° |
| C01 | C02 | C03 | 120.1° | 121.5° |
| C01 | C02 | H21 | 120.0° | 119.5° |
| C01 | C06 | C05 | 120.0° | 121.6° |
| C01 | C06 | H24 | 120.0° | 119.4° |
| C02 | C03 | C04 | 120.0° | 120.0° |
| C03 | C02 | H21 | 119.9° | 119.0° |
| C02 | C03 | H22 | 120.0° | 120.0° |
| C03 | C04 | C05 | 120.0° | 119.4° |
| C03 | C04 | O01 | 119.8° | 117.9° |
| C04 | C03 | H22 | 120.0° | 119.9° |
| C05 | C04 | O01 | 120.1° | 122.6° |
| C04 | C05 | C06 | 120.0° | 119.9° |
| C04 | C05 | H23 | 120.0° | 120.0° |
| C04 | O01 | H29 | 109.5° | 113.5° |
| C06 | C05 | H23 | 120.0° | 120.1° |
| C05 | C06 | H24 | 120.0° | 119.0° |
| C14 | N3 | YB | 116.9° | 122.8° |
| N3 | C14 | H27 | 109.3° | 108.9° |
| N3 | C14 | H28 | 109.3° | 109.5° |
| N1 | YB | N3 | 119.5° | 152.8° |
| N1 | YB | N4 | 72.7° | 89.3° |
| N1 | YB | O2 | 76.4° | 62.5° |
| N1 | YB | O4 | 122.1° | 124.6° |
| N1 | YB | O6 | 161.8° | 93.6° |
| N3 | YB | N4 | 76.0° | 98.6° |
| N3 | YB | O2 | 163.7° | 91.3° |
| N3 | YB | O4 | 90.2° | 82.7° |
| N3 | YB | O6 | 61.5° | 63.1° |
| N4 | YB | O2 | 114.9° | 120.1° |
| N4 | YB | O4 | 164.0° | 76.5° |
| N4 | YB | O6 | 90.9° | 137.4° |
| O2 | YB | O4 | 77.1° | 163.2° |
| O2 | YB | O6 | 104.8° | 33.4° |
| O4 | YB | O6 | 75.2° | 132.3° |
| H1 | C4 | H2 | 109.5° | 106.1° |
| H3 | C2 | H4 | 109.5° | 106.3° |
| H5 | C3 | H6 | 109.5° | 106.1° |
| H7 | C1 | H8 | 109.4° | 106.4° |
| H9 | C7 | H10 | 109.5° | 106.7° |
| H11 | C6 | H12 | 109.5° | 106.5° |
| H13 | C8 | H14 | 109.4° | 106.7° |
| H15 | C12 | H16 | 109.4° | 106.9° |
| H17 | C16 | H18 | 109.5° | 106.0° |
| H19 | C5 | H20 | 109.5° | 106.5° |
| H25 | C10 | H26 | 109.5° | 106.9° |
| H27 | C14 | H28 | 109.5° | 107.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | N3 | H1 | 120.1° | 122.7° |
| C3 | C4 | N3 | H2 | 120.1° | 121.8° |
| C4 | C3 | N2 | C2 | 83.1° | 127.3° |
| C4 | C3 | N2 | H5 | 120.0° | 122.6° |
| C4 | C3 | N2 | H6 | 120.1° | 122.2° |
| C4 | C3 | N2 | C12 | 156.8° | 98.3° |
| C3 | C4 | N3 | C5 | 158.7° | 122.6° |
| C4 | C3 | N2 | YB | 36.8° | 34.4° |
| C3 | C4 | N3 | C14 | 81.8° | 102.1° |
| C3 | C4 | N3 | YB | 46.0° | 28.4° |
| C3 | C4 | H1 | H2 | 119.8° | 114.7° |
| C4 | C3 | H5 | H6 | 119.9° | 114.5° |
| N3 | C4 | C3 | N2 | 56.3° | 49.2° |
| C4 | N3 | C5 | C6 | 65.4° | 137.9° |
| C4 | N3 | C14 | C13 | 171.8° | 60.7° |
| C4 | N3 | C5 | C14 | 119.5° | 136.0° |
| C4 | N3 | C5 | YB | 114.7° | 98.0° |
| C4 | N3 | YB | N2 | 20.0° | 7.1° |
| C4 | N3 | C14 | YB | 122.3° | 116.0° |
| C4 | N3 | YB | N1 | 39.4° | 126.5° |
| C4 | N3 | YB | N4 | 99.7° | 127.8° |
| C4 | N3 | YB | O2 | 126.6° | 111.4° |
| C4 | N3 | YB | O4 | 88.4° | 52.8° |
| C4 | N3 | YB | O6 | 161.4° | 92.9° |
| N3 | C4 | H1 | H2 | 119.8° | 117.3° |
| N3 | C4 | C3 | H5 | 176.4° | 74.4° |
| N3 | C4 | C3 | H6 | 63.8° | 172.0° |
| C4 | N3 | C5 | H19 | 54.6° | 100.2° |
| C4 | N3 | C5 | H20 | 174.6° | 15.9° |
| C4 | N3 | C14 | H27 | 68.1° | 61.3° |
| C4 | N3 | C14 | H28 | 51.8° | 178.0° |
| C1 | C2 | N2 | H3 | 120.0° | 122.9° |
| C1 | C2 | N2 | H4 | 120.0° | 122.1° |
| C1 | C2 | N2 | C3 | 179.4° | 149.4° |
| C2 | C1 | N1 | H7 | 120.1° | 121.5° |
| C2 | C1 | N1 | H8 | 120.1° | 122.5° |
| C2 | C1 | N1 | C8 | 16.8° | 123.3° |
| C1 | C2 | N2 | C12 | 59.4° | 75.8° |
| C2 | C1 | N1 | C10 | 104.5° | 100.2° |
| C1 | C2 | N2 | YB | 56.5° | 52.5° |
| C2 | C1 | N1 | YB | 58.3° | 28.6° |
| C1 | C2 | H3 | H4 | 120.1° | 114.1° |
| C2 | C1 | H7 | H8 | 119.6° | 115.7° |
| C2 | N2 | C3 | C12 | 120.1° | 134.3° |
| C2 | N2 | C3 | YB | 119.9° | 92.9° |
| N2 | C2 | C1 | N1 | 94.9° | 66.7° |
| C2 | N2 | C12 | C11 | 176.8° | 164.8° |
| C2 | N2 | C12 | YB | 115.8° | 106.7° |
| C2 | N2 | YB | N1 | 16.4° | 25.3° |
| C2 | N2 | YB | N3 | 112.1° | 131.0° |
| C2 | N2 | YB | N4 | 45.5° | 120.4° |
| C2 | N2 | YB | O2 | 84.5° | 37.9° |
| C2 | N2 | YB | O4 | 151.5° | 151.3° |
| C2 | N2 | YB | O6 | 152.4° | 68.3° |
| N2 | C2 | H3 | H4 | 120.1° | 116.5° |
| C2 | N2 | C3 | H5 | 36.9° | 4.7° |
| C2 | N2 | C3 | H6 | 156.8° | 110.5° |
| N2 | C2 | C1 | H7 | 145.0° | 171.1° |
| N2 | C2 | C1 | H8 | 25.3° | 56.5° |
| C2 | N2 | C12 | H15 | 63.2° | 73.3° |
| C2 | N2 | C12 | H16 | 56.8° | 43.3° |
| C3 | N2 | C12 | C11 | 63.1° | 59.0° |
| C3 | N2 | C12 | YB | 124.1° | 117.1° |
| C3 | N2 | YB | N1 | 137.7° | 142.3° |
| C3 | N2 | YB | N3 | 9.2° | 14.1° |
| C3 | N2 | YB | N4 | 75.8° | 122.7° |
| C3 | N2 | YB | O2 | 154.2° | 79.1° |
| C3 | N2 | YB | O4 | 87.2° | 91.7° |
| C3 | N2 | YB | O6 | 31.0° | 48.7° |
| N2 | C3 | C4 | H1 | 176.4° | 74.3° |
| N2 | C3 | C4 | H2 | 63.7° | 171.8° |
| C3 | N2 | C2 | H3 | 59.4° | 87.8° |
| C3 | N2 | C2 | H4 | 60.6° | 27.3° |
| N2 | C3 | H5 | H6 | 119.8° | 116.8° |
| C3 | N2 | C12 | H15 | 56.9° | 62.9° |
| C3 | N2 | C12 | H16 | 176.9° | 179.5° |
| C1 | N1 | C8 | C7 | 152.0° | 137.0° |
| C1 | N1 | C8 | C10 | 122.8° | 137.3° |
| C1 | N1 | C8 | YB | 79.4° | 92.9° |
| C1 | N1 | C10 | C9 | 22.6° | 69.9° |
| C1 | N1 | C10 | YB | 64.0° | 109.3° |
| C1 | N1 | YB | N2 | 22.7° | 0.7° |
| C1 | N1 | YB | N3 | 82.6° | 120.3° |
| C1 | N1 | YB | N4 | 144.6° | 131.9° |
| C1 | N1 | YB | O2 | 93.4° | 103.2° |
| C1 | N1 | YB | O4 | 28.5° | 58.9° |
| C1 | N1 | YB | O6 | 170.5° | 90.6° |
| N1 | C1 | C2 | H3 | 145.2° | 170.1° |
| N1 | C1 | C2 | H4 | 25.1° | 56.3° |
| N1 | C1 | H7 | H8 | 119.6° | 117.9° |
| C1 | N1 | C8 | H13 | 87.9° | 15.4° |
| C1 | N1 | C8 | H14 | 31.8° | 100.7° |
| C1 | N1 | C10 | H25 | 143.7° | 169.0° |
| C1 | N1 | C10 | H26 | 98.5° | 52.3° |
| C8 | C7 | N4 | H9 | 120.0° | 121.2° |
| C8 | C7 | N4 | H10 | 120.0° | 122.0° |
| C8 | C7 | N4 | C6 | 64.8° | 130.0° |
| C7 | C8 | N1 | H13 | 120.1° | 121.6° |
| C7 | C8 | N1 | H14 | 120.1° | 122.3° |
| C8 | C7 | N4 | C16 | 173.4° | 97.1° |
| C7 | C8 | N1 | C10 | 29.1° | 85.7° |
| C7 | C8 | N1 | YB | 72.6° | 44.1° |
| C8 | C7 | N4 | YB | 42.9° | 45.5° |
| C8 | C7 | H9 | H10 | 120.0° | 116.4° |
| C7 | C8 | H13 | H14 | 119.6° | 115.8° |
| C7 | N4 | C6 | C5 | 160.7° | 141.4° |
| C7 | N4 | C6 | C16 | 122.1° | 133.9° |
| C7 | N4 | C6 | YB | 109.6° | 91.6° |
| N4 | C7 | C8 | N1 | 102.2° | 72.7° |
| C7 | N4 | C16 | C01 | 62.0° | 40.9° |
| C7 | N4 | C16 | YB | 121.2° | 123.0° |
| C7 | N4 | YB | N2 | 67.5° | 114.4° |
| C7 | N4 | YB | N1 | 5.4° | 16.2° |
| C7 | N4 | YB | N3 | 133.0° | 137.7° |
| C7 | N4 | YB | O2 | 60.0° | 41.1° |
| C7 | N4 | YB | O4 | 163.7° | 142.1° |
| C7 | N4 | YB | O6 | 166.8° | 78.5° |
| N4 | C7 | H9 | H10 | 120.1° | 118.6° |
| C7 | N4 | C6 | H11 | 79.3° | 96.1° |
| C7 | N4 | C6 | H12 | 40.7° | 19.9° |
| N4 | C7 | C8 | H13 | 137.6° | 49.6° |
| N4 | C7 | C8 | H14 | 17.9° | 164.5° |
| C7 | N4 | C16 | H17 | 177.8° | 82.2° |
| C7 | N4 | C16 | H18 | 58.1° | 164.2° |
| C5 | C6 | N4 | H11 | 120.0° | 122.5° |
| C5 | C6 | N4 | H12 | 120.0° | 121.5° |
| C5 | C6 | N4 | C16 | 77.2° | 84.7° |
| C6 | C5 | N3 | H19 | 120.0° | 121.9° |
| C6 | C5 | N3 | H20 | 120.0° | 122.1° |
| C6 | C5 | N3 | C14 | 175.1° | 86.1° |
| C6 | C5 | N3 | YB | 49.4° | 40.0° |
| C5 | C6 | N4 | YB | 51.2° | 49.8° |
| C5 | C6 | H11 | H12 | 120.0° | 114.9° |
| C6 | C5 | H19 | H20 | 120.0° | 115.4° |
| C6 | N4 | C16 | C01 | 59.8° | 176.0° |
| C6 | N4 | C16 | YB | 117.0° | 101.8° |
| N4 | C6 | C5 | N3 | 75.2° | 78.0° |
| C6 | N4 | YB | N2 | 46.7° | 129.2° |
| C6 | N4 | YB | N1 | 108.8° | 132.6° |
| C6 | N4 | YB | N3 | 18.7° | 21.3° |
| C6 | N4 | YB | O2 | 174.2° | 75.3° |
| C6 | N4 | YB | O4 | 49.5° | 101.5° |
| C6 | N4 | YB | O6 | 79.0° | 37.9° |
| C6 | N4 | C7 | H9 | 55.2° | 8.8° |
| C6 | N4 | C7 | H10 | 175.3° | 108.0° |
| N4 | C6 | H11 | H12 | 119.9° | 117.5° |
| C6 | N4 | C16 | H17 | 60.4° | 52.9° |
| C6 | N4 | C16 | H18 | 179.9° | 60.7° |
| N4 | C6 | C5 | H19 | 164.8° | 159.6° |
| N4 | C6 | C5 | H20 | 44.8° | 44.9° |
| C8 | N1 | C10 | C9 | 143.9° | 151.1° |
| C8 | N1 | C10 | YB | 57.3° | 111.7° |
| C8 | N1 | YB | N2 | 88.6° | 119.1° |
| C8 | N1 | YB | N3 | 28.7° | 121.3° |
| C8 | N1 | YB | N4 | 33.4° | 13.6° |
| C8 | N1 | YB | O2 | 155.3° | 138.4° |
| C8 | N1 | YB | O4 | 139.7° | 59.5° |
| C8 | N1 | YB | O6 | 59.3° | 151.0° |
| C8 | N1 | C1 | H7 | 103.3° | 115.2° |
| C8 | N1 | C1 | H8 | 136.9° | 0.8° |
| N1 | C8 | C7 | H9 | 137.8° | 49.4° |
| N1 | C8 | C7 | H10 | 17.7° | 164.6° |
| N1 | C8 | H13 | H14 | 119.7° | 117.6° |
| C8 | N1 | C10 | H25 | 95.0° | 30.0° |
| C8 | N1 | C10 | H26 | 22.9° | 86.7° |
| C11 | C12 | N2 | H15 | 120.0° | 121.9° |
| C11 | C12 | N2 | H16 | 120.0° | 121.5° |
| C12 | C11 | O3 | O4 | 179.8° | 179.8° |
| C11 | C12 | N2 | YB | 61.0° | 58.1° |
| C12 | C11 | O4 | YB | 25.2° | 12.1° |
| C11 | C12 | H15 | H16 | 120.0° | 115.5° |
| N2 | C12 | C11 | O3 | 118.5° | 140.9° |
| N2 | C12 | C11 | O4 | 61.6° | 39.2° |
| C12 | N2 | YB | N1 | 101.1° | 92.7° |
| C12 | N2 | YB | N3 | 130.4° | 110.9° |
| C12 | N2 | YB | N4 | 163.0° | 2.3° |
| C12 | N2 | YB | O2 | 33.0° | 155.9° |
| C12 | N2 | YB | O4 | 34.0° | 33.3° |
| C12 | N2 | YB | O6 | 90.1° | 173.7° |
| C12 | N2 | C2 | H3 | 60.5° | 47.1° |
| C12 | N2 | C2 | H4 | 179.4° | 162.1° |
| C12 | N2 | C3 | H5 | 83.2° | 139.0° |
| C12 | N2 | C3 | H6 | 36.7° | 23.8° |
| N2 | C12 | H15 | H16 | 120.0° | 118.2° |
| C01 | C16 | N4 | H17 | 120.1° | 123.1° |
| C01 | C16 | N4 | H18 | 120.2° | 123.3° |
| C16 | C01 | C02 | C06 | 178.9° | 178.1° |
| C16 | C01 | C02 | C03 | 179.8° | 179.7° |
| C16 | C01 | C06 | C05 | 179.7° | 179.5° |
| C01 | C16 | N4 | YB | 176.8° | 82.1° |
| C01 | C16 | H17 | H18 | 119.5° | 113.5° |
| C16 | C01 | C02 | H21 | 0.2° | 1.8° |
| C16 | C01 | C06 | H24 | 0.3° | 1.4° |
| C16 | N4 | YB | N2 | 168.1° | 15.5° |
| N4 | C16 | C01 | C02 | 83.8° | 76.4° |
| N4 | C16 | C01 | C06 | 97.4° | 105.5° |
| C16 | N4 | YB | N1 | 129.7° | 113.6° |
| C16 | N4 | YB | N3 | 102.7° | 92.5° |
| C16 | N4 | YB | O2 | 64.4° | 170.9° |
| C16 | N4 | YB | O4 | 71.9° | 12.2° |
| C16 | N4 | YB | O6 | 42.4° | 151.7° |
| C16 | N4 | C7 | H9 | 66.6° | 141.7° |
| C16 | N4 | C7 | H10 | 53.5° | 24.9° |
| C16 | N4 | C6 | H11 | 42.8° | 37.8° |
| C16 | N4 | C6 | H12 | 162.8° | 153.8° |
| N4 | C16 | H17 | H18 | 119.6° | 114.6° |
| C14 | C13 | O6 | O5 | 180.0° | 179.9° |
| C13 | C14 | N3 | C5 | 68.5° | 161.2° |
| C13 | C14 | N3 | H27 | 120.1° | 122.0° |
| C13 | C14 | N3 | H28 | 120.1° | 121.3° |
| C13 | C14 | N3 | YB | 49.6° | 55.3° |
| C14 | C13 | O6 | YB | 9.8° | 14.0° |
| C13 | C14 | H27 | H28 | 119.7° | 115.8° |
| C13 | O6 | YB | N2 | 19.7° | 106.5° |
| O6 | C13 | C14 | N3 | 22.0° | 40.7° |
| C13 | O6 | YB | N1 | 123.4° | 157.0° |
| C13 | O6 | YB | N3 | 25.3° | 8.3° |
| C13 | O6 | YB | N4 | 98.8° | 64.1° |
| C13 | O6 | YB | O2 | 145.2° | 136.6° |
| C13 | O6 | YB | O4 | 73.1° | 57.3° |
| O6 | C13 | C14 | H27 | 142.1° | 163.0° |
| O6 | C13 | C14 | H28 | 98.0° | 81.6° |
| O5 | C13 | C14 | N3 | 157.9° | 139.3° |
| O5 | C13 | O6 | YB | 170.3° | 166.0° |
| O5 | C13 | C14 | H27 | 37.9° | 17.1° |
| O5 | C13 | C14 | H28 | 82.0° | 98.4° |
| O2 | C9 | O1 | C10 | 179.2° | 180.0° |
| O2 | C9 | C10 | N1 | 162.0° | 43.2° |
| C9 | O2 | YB | N2 | 48.3° | 84.1° |
| C9 | O2 | YB | N1 | 17.7° | 5.9° |
| C9 | O2 | YB | N3 | 149.8° | 178.2° |
| C9 | O2 | YB | N4 | 80.9° | 77.4° |
| C9 | O2 | YB | O4 | 110.4° | 113.2° |
| C9 | O2 | YB | O6 | 179.0° | 150.9° |
| O2 | C9 | C10 | H25 | 76.9° | 79.0° |
| O2 | C9 | C10 | H26 | 40.9° | 165.6° |
| O1 | C9 | C10 | N1 | 18.8° | 136.8° |
| O1 | C9 | O2 | YB | 125.8° | 153.8° |
| O1 | C9 | C10 | H25 | 102.3° | 101.0° |
| O1 | C9 | C10 | H26 | 139.9° | 14.4° |
| C9 | C10 | N1 | H25 | 121.1° | 121.1° |
| C9 | C10 | N1 | H26 | 121.1° | 122.2° |
| C9 | C10 | N1 | YB | 86.6° | 39.4° |
| C10 | C9 | O2 | YB | 54.9° | 26.2° |
| C9 | C10 | H25 | H26 | 116.6° | 116.6° |
| C5 | N3 | YB | N2 | 136.1° | 125.9° |
| C5 | N3 | C14 | YB | 118.1° | 105.9° |
| C5 | N3 | YB | N1 | 76.7° | 114.7° |
| C5 | N3 | YB | N4 | 16.3° | 9.0° |
| C5 | N3 | YB | O2 | 117.3° | 129.8° |
| C5 | N3 | YB | O4 | 155.6° | 66.0° |
| C5 | N3 | YB | O6 | 82.5° | 148.3° |
| C5 | N3 | C4 | H1 | 81.3° | 0.1° |
| C5 | N3 | C4 | H2 | 38.6° | 115.6° |
| N3 | C5 | C6 | H11 | 164.8° | 158.8° |
| N3 | C5 | C6 | H12 | 44.8° | 44.4° |
| N3 | C5 | H19 | H20 | 120.0° | 117.9° |
| C5 | N3 | C14 | H27 | 51.5° | 76.8° |
| C5 | N3 | C14 | H28 | 171.4° | 39.9° |
| O3 | C11 | O4 | YB | 154.9° | 168.0° |
| O3 | C11 | C12 | H15 | 1.5° | 18.8° |
| O3 | C11 | C12 | H16 | 121.4° | 96.4° |
| C11 | O4 | YB | N2 | 5.5° | 10.2° |
| C11 | O4 | YB | N1 | 47.3° | 67.2° |
| C11 | O4 | YB | N3 | 78.4° | 112.4° |
| C11 | O4 | YB | N4 | 108.1° | 146.8° |
| C11 | O4 | YB | O2 | 111.9° | 42.6° |
| C11 | O4 | YB | O6 | 138.7° | 69.7° |
| O4 | C11 | C12 | H15 | 178.4° | 161.4° |
| O4 | C11 | C12 | H16 | 58.4° | 83.4° |
| C10 | N1 | YB | N2 | 145.7° | 120.2° |
| C10 | N1 | YB | N3 | 154.4° | 0.6° |
| C10 | N1 | YB | N4 | 92.4° | 107.2° |
| C10 | N1 | YB | O2 | 29.6° | 17.7° |
| C10 | N1 | YB | O4 | 94.5° | 179.8° |
| C10 | N1 | YB | O6 | 66.5° | 30.2° |
| C10 | N1 | C1 | H7 | 135.3° | 21.3° |
| C10 | N1 | C1 | H8 | 15.6° | 137.3° |
| C10 | N1 | C8 | H13 | 149.3° | 152.7° |
| C10 | N1 | C8 | H14 | 91.0° | 36.6° |
| N1 | C10 | H25 | H26 | 116.5° | 118.2° |
| N2 | YB | N3 | C14 | 103.2° | 117.0° |
| N2 | YB | N1 | N3 | 59.9° | 119.5° |
| N2 | YB | N1 | N4 | 121.9° | 132.7° |
| N2 | YB | N1 | O2 | 116.1° | 102.5° |
| N2 | YB | N1 | O4 | 51.1° | 59.6° |
| N2 | YB | N1 | O6 | 147.9° | 89.9° |
| N2 | YB | N3 | N4 | 119.8° | 135.0° |
| N2 | YB | N3 | O2 | 106.6° | 104.3° |
| N2 | YB | N3 | O4 | 68.4° | 59.9° |
| N2 | YB | N3 | O6 | 141.4° | 85.8° |
| N2 | YB | N4 | O2 | 127.5° | 155.4° |
| N2 | YB | N4 | O4 | 96.2° | 27.7° |
| N2 | YB | N4 | O6 | 125.7° | 167.2° |
| N2 | YB | O2 | O4 | 62.0° | 29.0° |
| N2 | YB | O2 | O6 | 132.7° | 66.8° |
| N2 | YB | O4 | O6 | 133.2° | 59.5° |
| YB | N2 | C2 | H3 | 176.5° | 175.3° |
| YB | N2 | C2 | H4 | 63.5° | 69.6° |
| YB | N2 | C3 | H5 | 156.8° | 88.2° |
| YB | N2 | C3 | H6 | 83.3° | 156.6° |
| YB | N2 | C12 | H15 | 179.0° | 180.0° |
| YB | N2 | C12 | H16 | 59.0° | 63.5° |
| C01 | C02 | C03 | H21 | 180.0° | 178.6° |
| C01 | C02 | C03 | C04 | 0.6° | 1.0° |
| C02 | C01 | C06 | C05 | 0.8° | 1.4° |
| C02 | C01 | C16 | H17 | 36.4° | 160.2° |
| C02 | C01 | C16 | H18 | 156.1° | 47.2° |
| C01 | C02 | C03 | H22 | 179.4° | 179.3° |
| C02 | C01 | C06 | H24 | 179.2° | 179.6° |
| C06 | C01 | C02 | C03 | 0.9° | 1.5° |
| C01 | C06 | C05 | C04 | 0.4° | 0.7° |
| C01 | C06 | C05 | H24 | 180.0° | 179.0° |
| C06 | C01 | C16 | H17 | 142.5° | 17.9° |
| C06 | C01 | C16 | H18 | 22.8° | 130.8° |
| C06 | C01 | C02 | H21 | 179.0° | 179.9° |
| C01 | C06 | C05 | H23 | 179.6° | 179.4° |
| C02 | C03 | C04 | H22 | 180.0° | 179.8° |
| C02 | C03 | C04 | C05 | 0.2° | 0.2° |
| C02 | C03 | C04 | O01 | 179.9° | 179.8° |
| C03 | C04 | C05 | O01 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.0° | 0.1° |
| C04 | C03 | C02 | H21 | 179.4° | 179.5° |
| C03 | C04 | C05 | H23 | 180.0° | 180.0° |
| C03 | C04 | O01 | H29 | 180.0° | 180.0° |
| C04 | C05 | C06 | H23 | 180.0° | 179.9° |
| C05 | C04 | C03 | H22 | 179.9° | 180.0° |
| C04 | C05 | C06 | H24 | 179.6° | 179.7° |
| C05 | C04 | O01 | H29 | 0.0° | 0.0° |
| O01 | C04 | C05 | C06 | 180.0° | 179.9° |
| O01 | C04 | C03 | H22 | 0.1° | 0.0° |
| O01 | C04 | C05 | H23 | 0.0° | 0.1° |
| C14 | N3 | YB | N1 | 162.5° | 2.4° |
| C14 | N3 | YB | N4 | 137.1° | 108.0° |
| C14 | N3 | YB | O2 | 3.4° | 12.7° |
| C14 | N3 | YB | O4 | 34.8° | 176.9° |
| C14 | N3 | YB | O6 | 38.2° | 31.2° |
| C14 | N3 | C4 | H1 | 38.3° | 135.2° |
| C14 | N3 | C4 | H2 | 158.2° | 19.7° |
| C14 | N3 | C5 | H19 | 64.9° | 35.8° |
| C14 | N3 | C5 | H20 | 55.1° | 151.8° |
| N3 | C14 | H27 | H28 | 119.8° | 118.2° |
| N1 | YB | N3 | N4 | 60.4° | 105.6° |
| N1 | YB | N3 | O2 | 166.0° | 15.1° |
| N1 | YB | N3 | O4 | 127.8° | 179.3° |
| N1 | YB | N3 | O6 | 159.2° | 33.6° |
| N1 | YB | N4 | O2 | 65.4° | 57.2° |
| N1 | YB | N4 | O4 | 158.3° | 125.9° |
| N1 | YB | N4 | O6 | 172.2° | 94.6° |
| N1 | YB | O2 | O4 | 128.1° | 119.1° |
| N1 | YB | O2 | O6 | 161.3° | 156.8° |
| N1 | YB | O4 | O6 | 174.0° | 136.9° |
| YB | N1 | C1 | H7 | 178.4° | 150.1° |
| YB | N1 | C1 | H8 | 61.8° | 93.9° |
| YB | N1 | C8 | H13 | 167.3° | 77.5° |
| YB | N1 | C8 | H14 | 47.5° | 166.3° |
| YB | N1 | C10 | H25 | 152.3° | 81.7° |
| YB | N1 | C10 | H26 | 34.5° | 161.6° |
| N3 | YB | N4 | O2 | 167.1° | 96.6° |
| N3 | YB | N4 | O4 | 30.8° | 80.3° |
| N3 | YB | N4 | O6 | 60.3° | 59.2° |
| N3 | YB | O2 | O4 | 39.4° | 68.7° |
| N3 | YB | O2 | O6 | 31.2° | 30.9° |
| N3 | YB | O4 | O6 | 60.4° | 42.7° |
| YB | N3 | C4 | H1 | 166.1° | 94.3° |
| YB | N3 | C4 | H2 | 74.1° | 150.2° |
| YB | N3 | C5 | H19 | 169.4° | 161.8° |
| YB | N3 | C5 | H20 | 70.7° | 82.1° |
| YB | N3 | C14 | H27 | 169.6° | 177.3° |
| YB | N3 | C14 | H28 | 70.5° | 66.0° |
| N4 | YB | O2 | O4 | 168.7° | 169.4° |
| N4 | YB | O2 | O6 | 98.1° | 131.7° |
| N4 | YB | O4 | O6 | 30.6° | 143.5° |
| YB | N4 | C7 | H9 | 162.9° | 75.8° |
| YB | N4 | C7 | H10 | 77.0° | 167.5° |
| YB | N4 | C6 | H11 | 171.2° | 172.4° |
| YB | N4 | C6 | H12 | 68.9° | 71.7° |
| YB | N4 | C16 | H17 | 56.6° | 154.7° |
| YB | N4 | C16 | H18 | 63.1° | 41.1° |
| O2 | YB | O4 | O6 | 109.4° | 27.1° |
| H1 | C4 | C3 | H5 | 63.6° | 162.1° |
| H1 | C4 | C3 | H6 | 56.3° | 48.4° |
| H2 | C4 | C3 | H5 | 56.3° | 48.3° |
| H2 | C4 | C3 | H6 | 176.2° | 65.4° |
| H3 | C2 | C1 | H7 | 25.1° | 47.8° |
| H3 | C2 | C1 | H8 | 94.7° | 66.8° |
| H4 | C2 | C1 | H7 | 95.0° | 66.0° |
| H4 | C2 | C1 | H8 | 145.3° | 179.4° |
| H9 | C7 | C8 | H13 | 17.6° | 171.8° |
| H9 | C7 | C8 | H14 | 102.1° | 73.4° |
| H10 | C7 | C8 | H13 | 102.4° | 73.0° |
| H10 | C7 | C8 | H14 | 137.9° | 41.8° |
| H11 | C6 | C5 | H19 | 44.8° | 36.4° |
| H11 | C6 | C5 | H20 | 75.2° | 78.3° |
| H12 | C6 | C5 | H19 | 75.2° | 78.0° |
| H12 | C6 | C5 | H20 | 164.8° | 167.3° |
| H21 | C02 | C03 | H22 | 0.6° | 0.7° |
| H23 | C05 | C06 | H24 | 0.4° | 0.3° |
