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 | 1.48Å | 1.48Å | |
| C3 | N2 | sing | 1.49Å | 1.49Å | |
| C1 | N1 | sing | 1.48Å | 1.48Å | |
| C7 | C8 | sing | 1.56Å | 1.56Å | |
| C7 | N4 | sing | 1.48Å | 1.48Å | |
| C6 | C5 | sing | 1.57Å | 1.57Å | |
| C6 | N4 | sing | 1.48Å | 1.48Å | |
| C8 | N1 | sing | 1.47Å | 1.47Å | |
| C12 | C11 | sing | 1.55Å | 1.55Å | |
| C12 | N2 | sing | 1.47Å | 1.47Å | |
| C16 | C01 | sing | 1.56Å | 1.56Å | |
| C16 | N4 | sing | 1.49Å | 1.49Å | |
| C13 | C14 | sing | 1.54Å | 1.54Å | |
| C13 | O6 | sing | 1.26Å | 1.26Å | |
| C13 | O5 | doub | 1.26Å | 1.26Å | |
| C9 | O2 | sing | 1.26Å | 1.26Å | |
| C9 | O1 | doub | 1.26Å | 1.26Å | |
| C9 | C10 | sing | 1.55Å | 1.55Å | |
| C5 | N3 | sing | 1.47Å | 1.47Å | |
| C11 | O3 | doub | 1.27Å | 1.27Å | |
| C11 | O4 | sing | 1.26Å | 1.26Å | |
| N1 | C10 | sing | 1.48Å | 1.48Å | |
| YB | N2 | sing | 2.33Å | 2.33Å | |
| C01 | C02 | doub | 1.55Å | 1.55Å | Aromatic |
| C01 | C06 | sing | 1.31Å | 1.31Å | Aromatic |
| C02 | C03 | sing | 1.32Å | 1.32Å | Aromatic |
| C03 | C04 | doub | 1.53Å | 1.53Å | Aromatic |
| C04 | C05 | sing | 1.33Å | 1.33Å | Aromatic |
| C04 | O01 | sing | 1.42Å | 1.42Å | |
| C05 | C06 | doub | 1.55Å | 1.55Å | Aromatic |
| C14 | N3 | sing | 1.47Å | 1.47Å | |
| N1 | YB | sing | 3.06Å | 3.06Å | |
| YB | N3 | sing | 2.45Å | 2.45Å | |
| N4 | YB | sing | 2.53Å | 2.53Å | |
| YB | O2 | sing | 2.90Å | 2.90Å | |
| YB | O4 | sing | 2.84Å | 2.84Å | |
| YB | O6 | sing | 2.86Å | 2.86Å | |
| C4 | H1 | sing | 1.10Å | 1.10Å | |
| C4 | H2 | sing | 1.10Å | 1.10Å | |
| C2 | H3 | sing | 1.10Å | 1.10Å | |
| C2 | H4 | sing | 1.10Å | 1.10Å | |
| C3 | H5 | sing | 1.10Å | 1.10Å | |
| C3 | H6 | sing | 1.10Å | 1.10Å | |
| C1 | H7 | sing | 1.10Å | 1.10Å | |
| C1 | H8 | sing | 1.10Å | 1.10Å | |
| C7 | H9 | sing | 1.10Å | 1.10Å | |
| C7 | H10 | sing | 1.10Å | 1.10Å | |
| C6 | H11 | sing | 1.10Å | 1.10Å | |
| C6 | H12 | sing | 1.10Å | 1.10Å | |
| C8 | H13 | sing | 1.10Å | 1.10Å | |
| C8 | H14 | sing | 1.10Å | 1.10Å | |
| C12 | H15 | sing | 1.10Å | 1.10Å | |
| C12 | H16 | sing | 1.10Å | 1.10Å | |
| C16 | H17 | sing | 1.10Å | 1.10Å | |
| C16 | H18 | sing | 1.10Å | 1.10Å | |
| C5 | H19 | sing | 1.10Å | 1.10Å | |
| C5 | H20 | sing | 1.10Å | 1.10Å | |
| C02 | H21 | sing | 1.08Å | 1.08Å | |
| C03 | H22 | sing | 1.08Å | 1.08Å | |
| C05 | H23 | sing | 1.08Å | 1.08Å | |
| C06 | H24 | sing | 1.08Å | 1.08Å | |
| C10 | H25 | sing | 1.10Å | 1.10Å | |
| C10 | H26 | sing | 1.10Å | 1.10Å | |
| C14 | H27 | sing | 1.10Å | 1.10Å | |
| C14 | H28 | sing | 1.10Å | 1.10Å | |
| O01 | H29 | sing | 0.95Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C4 | N3 | 109.9° | 109.9° |
| C4 | C3 | N2 | 109.8° | 109.8° |
| C3 | C4 | H1 | 109.4° | 109.4° |
| C3 | C4 | H2 | 109.4° | 109.4° |
| C4 | C3 | H5 | 109.4° | 109.4° |
| C4 | C3 | H6 | 109.4° | 109.4° |
| C4 | N3 | C5 | 109.4° | 109.4° |
| C4 | N3 | C14 | 109.3° | 109.3° |
| C4 | N3 | YB | 107.5° | 107.5° |
| N3 | C4 | H1 | 109.4° | 109.4° |
| N3 | C4 | H2 | 109.4° | 109.4° |
| C1 | C2 | N2 | 109.3° | 109.3° |
| C2 | C1 | N1 | 110.3° | 110.3° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 109.5° | 109.5° |
| C2 | C1 | H7 | 109.3° | 109.3° |
| C2 | C1 | H8 | 109.3° | 109.3° |
| C2 | N2 | C3 | 109.6° | 109.6° |
| C2 | N2 | C12 | 109.6° | 109.6° |
| C2 | N2 | YB | 107.0° | 107.0° |
| N2 | C2 | H3 | 109.5° | 109.5° |
| N2 | C2 | H4 | 109.5° | 109.5° |
| C3 | N2 | C12 | 109.3° | 109.3° |
| C3 | N2 | YB | 114.0° | 114.0° |
| N2 | C3 | H5 | 109.4° | 109.4° |
| N2 | C3 | H6 | 109.4° | 109.4° |
| C1 | N1 | C8 | 109.4° | 109.4° |
| C1 | N1 | C10 | 111.9° | 111.9° |
| C1 | N1 | YB | 84.2° | 84.2° |
| N1 | C1 | H7 | 109.3° | 109.3° |
| N1 | C1 | H8 | 109.3° | 109.3° |
| C8 | C7 | N4 | 109.4° | 109.4° |
| C7 | C8 | N1 | 110.2° | 110.2° |
| C8 | C7 | H9 | 109.5° | 109.5° |
| C8 | C7 | H10 | 109.5° | 109.5° |
| C7 | C8 | H13 | 109.3° | 109.3° |
| C7 | C8 | H14 | 109.3° | 109.3° |
| C7 | N4 | C6 | 110.1° | 110.1° |
| C7 | N4 | C16 | 110.5° | 110.5° |
| C7 | N4 | YB | 104.0° | 104.0° |
| N4 | C7 | H9 | 109.5° | 109.5° |
| N4 | C7 | H10 | 109.5° | 109.5° |
| C5 | C6 | N4 | 109.6° | 109.6° |
| C6 | C5 | N3 | 109.6° | 109.6° |
| C5 | C6 | H11 | 109.4° | 109.4° |
| C5 | C6 | H12 | 109.5° | 109.4° |
| C6 | C5 | H19 | 109.5° | 109.4° |
| C6 | C5 | H20 | 109.4° | 109.4° |
| C6 | N4 | C16 | 110.1° | 110.1° |
| C6 | N4 | YB | 101.2° | 101.2° |
| N4 | C6 | H11 | 109.4° | 109.4° |
| N4 | C6 | H12 | 109.4° | 109.4° |
| C8 | N1 | C10 | 109.4° | 109.4° |
| C8 | N1 | YB | 78.0° | 78.0° |
| N1 | C8 | H13 | 109.3° | 109.3° |
| N1 | C8 | H14 | 109.3° | 109.3° |
| C11 | C12 | N2 | 109.4° | 109.4° |
| C12 | C11 | O3 | 120.1° | 120.1° |
| C12 | C11 | O4 | 119.9° | 119.9° |
| C11 | C12 | H15 | 109.5° | 109.5° |
| C11 | C12 | H16 | 109.5° | 109.5° |
| C12 | N2 | YB | 107.2° | 107.2° |
| N2 | C12 | H15 | 109.5° | 109.5° |
| N2 | C12 | H16 | 109.5° | 109.5° |
| C01 | C16 | N4 | 110.4° | 110.4° |
| C16 | C01 | C02 | 120.1° | 120.1° |
| C16 | C01 | C06 | 120.1° | 120.1° |
| C01 | C16 | H17 | 109.2° | 109.2° |
| C01 | C16 | H18 | 109.2° | 109.2° |
| C16 | N4 | YB | 120.4° | 120.4° |
| N4 | C16 | H17 | 109.2° | 109.2° |
| N4 | C16 | H18 | 109.2° | 109.2° |
| C14 | C13 | O6 | 120.2° | 120.2° |
| C14 | C13 | O5 | 119.9° | 119.9° |
| C13 | C14 | N3 | 110.0° | 110.0° |
| C13 | C14 | H27 | 109.3° | 109.3° |
| C13 | C14 | H28 | 109.3° | 109.3° |
| O6 | C13 | O5 | 119.9° | 119.9° |
| C13 | O6 | YB | 111.8° | 111.8° |
| O2 | C9 | O1 | 119.3° | 119.3° |
| O2 | C9 | C10 | 117.6° | 117.6° |
| C9 | O2 | YB | 70.9° | 70.9° |
| O1 | C9 | C10 | 123.1° | 123.1° |
| C9 | C10 | N1 | 117.1° | 117.1° |
| C9 | C10 | H25 | 107.5° | 107.5° |
| C9 | C10 | H26 | 107.5° | 107.5° |
| C5 | N3 | C14 | 109.3° | 109.3° |
| C5 | N3 | YB | 104.3° | 104.3° |
| N3 | C5 | H19 | 109.4° | 109.5° |
| N3 | C5 | H20 | 109.5° | 109.5° |
| O3 | C11 | O4 | 120.0° | 120.0° |
| C11 | O4 | YB | 102.0° | 102.0° |
| C10 | N1 | YB | 53.1° | 53.1° |
| N1 | C10 | H25 | 107.5° | 107.5° |
| N1 | C10 | H26 | 107.5° | 107.5° |
| N2 | YB | N1 | 73.1° | 73.1° |
| N2 | YB | N3 | 74.1° | 74.1° |
| N2 | YB | N4 | 113.4° | 113.4° |
| N2 | YB | O2 | 109.9° | 109.9° |
| N2 | YB | O4 | 69.3° | 69.3° |
| N2 | YB | O6 | 122.0° | 122.0° |
| C02 | C01 | C06 | 119.9° | 119.9° |
| C01 | C02 | C03 | 120.1° | 120.1° |
| C01 | C02 | H21 | 120.0° | 120.0° |
| C01 | C06 | C05 | 120.0° | 120.0° |
| C01 | C06 | H24 | 120.0° | 120.0° |
| C02 | C03 | C04 | 120.0° | 120.0° |
| C03 | C02 | H21 | 119.9° | 119.9° |
| C02 | C03 | H22 | 120.0° | 120.0° |
| C03 | C04 | C05 | 120.0° | 120.0° |
| C03 | C04 | O01 | 119.8° | 119.8° |
| C04 | C03 | H22 | 120.0° | 120.0° |
| C05 | C04 | O01 | 120.1° | 120.1° |
| C04 | C05 | C06 | 120.0° | 120.0° |
| C04 | C05 | H23 | 120.0° | 120.0° |
| C04 | O01 | H29 | 109.5° | 109.5° |
| C06 | C05 | H23 | 120.0° | 120.0° |
| C05 | C06 | H24 | 120.0° | 120.0° |
| C14 | N3 | YB | 116.9° | 116.9° |
| N3 | C14 | H27 | 109.3° | 109.3° |
| N3 | C14 | H28 | 109.3° | 109.3° |
| N1 | YB | N3 | 119.5° | 119.5° |
| N1 | YB | N4 | 72.7° | 72.7° |
| N1 | YB | O2 | 76.4° | 76.4° |
| N1 | YB | O4 | 122.1° | 122.1° |
| N1 | YB | O6 | 161.8° | 161.8° |
| N3 | YB | N4 | 76.0° | 76.0° |
| N3 | YB | O2 | 163.7° | 163.7° |
| N3 | YB | O4 | 90.2° | 90.2° |
| N3 | YB | O6 | 61.5° | 61.5° |
| N4 | YB | O2 | 114.9° | 114.9° |
| N4 | YB | O4 | 164.0° | 164.0° |
| N4 | YB | O6 | 90.9° | 90.9° |
| O2 | YB | O4 | 77.1° | 77.1° |
| O2 | YB | O6 | 104.8° | 104.8° |
| O4 | YB | O6 | 75.2° | 75.2° |
| H1 | C4 | H2 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.5° |
| H5 | C3 | H6 | 109.5° | 109.5° |
| H7 | C1 | H8 | 109.4° | 109.4° |
| H9 | C7 | H10 | 109.5° | 109.5° |
| H11 | C6 | H12 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.4° | 109.4° |
| H15 | C12 | H16 | 109.4° | 109.5° |
| H17 | C16 | H18 | 109.5° | 109.5° |
| H19 | C5 | H20 | 109.5° | 109.5° |
| H25 | C10 | H26 | 109.5° | 109.5° |
| H27 | C14 | H28 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C4 | N3 | H1 | 120.1° | 120.1° |
| C3 | C4 | N3 | H2 | 120.1° | 120.1° |
| C4 | C3 | N2 | C2 | 83.1° | 83.1° |
| C4 | C3 | N2 | H5 | 120.0° | 120.0° |
| C4 | C3 | N2 | H6 | 120.1° | 120.1° |
| C4 | C3 | N2 | C12 | 156.8° | 156.8° |
| C3 | C4 | N3 | C5 | 158.7° | 158.7° |
| C4 | C3 | N2 | YB | 36.8° | 36.8° |
| C3 | C4 | N3 | C14 | 81.8° | 81.8° |
| C3 | C4 | N3 | YB | 46.0° | 46.0° |
| C3 | C4 | H1 | H2 | 119.8° | 119.8° |
| C4 | C3 | H5 | H6 | 119.9° | 119.9° |
| N3 | C4 | C3 | N2 | 56.3° | 56.3° |
| C4 | N3 | C5 | C6 | 65.4° | 65.4° |
| C4 | N3 | C14 | C13 | 171.8° | 171.8° |
| C4 | N3 | C5 | C14 | 119.5° | 119.5° |
| C4 | N3 | C5 | YB | 114.7° | 114.7° |
| C4 | N3 | YB | N2 | 20.0° | 20.0° |
| C4 | N3 | C14 | YB | 122.3° | 122.3° |
| C4 | N3 | YB | N1 | 39.4° | 39.4° |
| C4 | N3 | YB | N4 | 99.7° | 99.7° |
| C4 | N3 | YB | O2 | 126.6° | 126.6° |
| C4 | N3 | YB | O4 | 88.4° | 88.4° |
| C4 | N3 | YB | O6 | 161.4° | 161.4° |
| N3 | C4 | H1 | H2 | 119.8° | 119.8° |
| N3 | C4 | C3 | H5 | 176.4° | 176.4° |
| N3 | C4 | C3 | H6 | 63.8° | 63.8° |
| C4 | N3 | C5 | H19 | 54.6° | 54.6° |
| C4 | N3 | C5 | H20 | 174.6° | 174.6° |
| C4 | N3 | C14 | H27 | 68.1° | 68.1° |
| C4 | N3 | C14 | H28 | 51.8° | 51.8° |
| C1 | C2 | N2 | H3 | 120.0° | 120.0° |
| C1 | C2 | N2 | H4 | 120.0° | 120.0° |
| C1 | C2 | N2 | C3 | 179.4° | 179.4° |
| C2 | C1 | N1 | H7 | 120.1° | 120.1° |
| C2 | C1 | N1 | H8 | 120.1° | 120.1° |
| C2 | C1 | N1 | C8 | 16.8° | 16.8° |
| C1 | C2 | N2 | C12 | 59.4° | 59.4° |
| C2 | C1 | N1 | C10 | 104.5° | 104.5° |
| C1 | C2 | N2 | YB | 56.5° | 56.5° |
| C2 | C1 | N1 | YB | 58.3° | 58.3° |
| C1 | C2 | H3 | H4 | 120.1° | 120.0° |
| C2 | C1 | H7 | H8 | 119.6° | 119.6° |
| C2 | N2 | C3 | C12 | 120.1° | 120.1° |
| C2 | N2 | C3 | YB | 119.9° | 119.9° |
| N2 | C2 | C1 | N1 | 94.9° | 94.9° |
| C2 | N2 | C12 | C11 | 176.8° | 176.8° |
| C2 | N2 | C12 | YB | 115.8° | 115.8° |
| C2 | N2 | YB | N1 | 16.4° | 16.4° |
| C2 | N2 | YB | N3 | 112.1° | 112.1° |
| C2 | N2 | YB | N4 | 45.5° | 45.5° |
| C2 | N2 | YB | O2 | 84.5° | 84.5° |
| C2 | N2 | YB | O4 | 151.5° | 151.5° |
| C2 | N2 | YB | O6 | 152.4° | 152.4° |
| N2 | C2 | H3 | H4 | 120.1° | 120.1° |
| C2 | N2 | C3 | H5 | 36.9° | 36.9° |
| C2 | N2 | C3 | H6 | 156.8° | 156.8° |
| N2 | C2 | C1 | H7 | 145.0° | 145.0° |
| N2 | C2 | C1 | H8 | 25.3° | 25.3° |
| C2 | N2 | C12 | H15 | 63.2° | 63.2° |
| C2 | N2 | C12 | H16 | 56.8° | 56.8° |
| C3 | N2 | C12 | C11 | 63.1° | 63.1° |
| C3 | N2 | C12 | YB | 124.1° | 124.1° |
| C3 | N2 | YB | N1 | 137.7° | 137.7° |
| C3 | N2 | YB | N3 | 9.2° | 9.2° |
| C3 | N2 | YB | N4 | 75.8° | 75.8° |
| C3 | N2 | YB | O2 | 154.2° | 154.2° |
| C3 | N2 | YB | O4 | 87.2° | 87.2° |
| C3 | N2 | YB | O6 | 31.0° | 31.0° |
| N2 | C3 | C4 | H1 | 176.4° | 176.4° |
| N2 | C3 | C4 | H2 | 63.7° | 63.7° |
| C3 | N2 | C2 | H3 | 59.4° | 59.5° |
| C3 | N2 | C2 | H4 | 60.6° | 60.6° |
| N2 | C3 | H5 | H6 | 119.8° | 119.8° |
| C3 | N2 | C12 | H15 | 56.9° | 56.9° |
| C3 | N2 | C12 | H16 | 176.9° | 176.9° |
| C1 | N1 | C8 | C7 | 152.0° | 152.0° |
| C1 | N1 | C8 | C10 | 122.8° | 122.8° |
| C1 | N1 | C8 | YB | 79.4° | 79.4° |
| C1 | N1 | C10 | C9 | 22.6° | 22.6° |
| C1 | N1 | C10 | YB | 64.0° | 64.0° |
| C1 | N1 | YB | N2 | 22.7° | 22.7° |
| C1 | N1 | YB | N3 | 82.6° | 82.6° |
| C1 | N1 | YB | N4 | 144.6° | 144.6° |
| C1 | N1 | YB | O2 | 93.4° | 93.4° |
| C1 | N1 | YB | O4 | 28.5° | 28.5° |
| C1 | N1 | YB | O6 | 170.5° | 170.5° |
| N1 | C1 | C2 | H3 | 145.2° | 145.2° |
| N1 | C1 | C2 | H4 | 25.1° | 25.1° |
| N1 | C1 | H7 | H8 | 119.6° | 119.6° |
| C1 | N1 | C8 | H13 | 87.9° | 87.9° |
| C1 | N1 | C8 | H14 | 31.8° | 31.8° |
| C1 | N1 | C10 | H25 | 143.7° | 143.7° |
| C1 | N1 | C10 | H26 | 98.5° | 98.4° |
| C8 | C7 | N4 | H9 | 120.0° | 120.0° |
| C8 | C7 | N4 | H10 | 120.0° | 120.0° |
| C8 | C7 | N4 | C6 | 64.8° | 64.8° |
| C7 | C8 | N1 | H13 | 120.1° | 120.1° |
| C7 | C8 | N1 | H14 | 120.1° | 120.1° |
| C8 | C7 | N4 | C16 | 173.4° | 173.4° |
| C7 | C8 | N1 | C10 | 29.1° | 29.1° |
| C7 | C8 | N1 | YB | 72.6° | 72.6° |
| C8 | C7 | N4 | YB | 42.9° | 42.9° |
| C8 | C7 | H9 | H10 | 120.0° | 120.0° |
| C7 | C8 | H13 | H14 | 119.6° | 119.6° |
| C7 | N4 | C6 | C5 | 160.7° | 160.7° |
| C7 | N4 | C6 | C16 | 122.1° | 122.1° |
| C7 | N4 | C6 | YB | 109.6° | 109.6° |
| N4 | C7 | C8 | N1 | 102.2° | 102.2° |
| C7 | N4 | C16 | C01 | 62.0° | 62.0° |
| C7 | N4 | C16 | YB | 121.2° | 121.2° |
| C7 | N4 | YB | N2 | 67.5° | 67.5° |
| C7 | N4 | YB | N1 | 5.4° | 5.4° |
| C7 | N4 | YB | N3 | 133.0° | 133.0° |
| C7 | N4 | YB | O2 | 60.0° | 60.0° |
| C7 | N4 | YB | O4 | 163.7° | 163.7° |
| C7 | N4 | YB | O6 | 166.8° | 166.8° |
| N4 | C7 | H9 | H10 | 120.1° | 120.1° |
| C7 | N4 | C6 | H11 | 79.3° | 79.3° |
| C7 | N4 | C6 | H12 | 40.7° | 40.7° |
| N4 | C7 | C8 | H13 | 137.6° | 137.6° |
| N4 | C7 | C8 | H14 | 17.9° | 17.9° |
| C7 | N4 | C16 | H17 | 177.8° | 177.8° |
| C7 | N4 | C16 | H18 | 58.1° | 58.1° |
| C5 | C6 | N4 | H11 | 120.0° | 120.0° |
| C5 | C6 | N4 | H12 | 120.0° | 120.0° |
| C5 | C6 | N4 | C16 | 77.2° | 77.2° |
| C6 | C5 | N3 | H19 | 120.0° | 120.0° |
| C6 | C5 | N3 | H20 | 120.0° | 120.0° |
| C6 | C5 | N3 | C14 | 175.1° | 175.1° |
| C6 | C5 | N3 | YB | 49.4° | 49.4° |
| C5 | C6 | N4 | YB | 51.2° | 51.2° |
| C5 | C6 | H11 | H12 | 120.0° | 119.9° |
| C6 | C5 | H19 | H20 | 120.0° | 119.9° |
| C6 | N4 | C16 | C01 | 59.8° | 59.8° |
| C6 | N4 | C16 | YB | 117.0° | 117.0° |
| N4 | C6 | C5 | N3 | 75.2° | 75.2° |
| C6 | N4 | YB | N2 | 46.7° | 46.7° |
| C6 | N4 | YB | N1 | 108.8° | 108.8° |
| C6 | N4 | YB | N3 | 18.7° | 18.7° |
| C6 | N4 | YB | O2 | 174.2° | 174.2° |
| C6 | N4 | YB | O4 | 49.5° | 49.5° |
| C6 | N4 | YB | O6 | 79.0° | 79.0° |
| C6 | N4 | C7 | H9 | 55.2° | 55.2° |
| C6 | N4 | C7 | H10 | 175.3° | 175.3° |
| N4 | C6 | H11 | H12 | 119.9° | 120.0° |
| C6 | N4 | C16 | H17 | 60.4° | 60.4° |
| C6 | N4 | C16 | H18 | 179.9° | 179.9° |
| N4 | C6 | C5 | H19 | 164.8° | 164.8° |
| N4 | C6 | C5 | H20 | 44.8° | 44.8° |
| C8 | N1 | C10 | C9 | 143.9° | 143.9° |
| C8 | N1 | C10 | YB | 57.3° | 57.3° |
| C8 | N1 | YB | N2 | 88.6° | 88.6° |
| C8 | N1 | YB | N3 | 28.7° | 28.7° |
| C8 | N1 | YB | N4 | 33.4° | 33.4° |
| C8 | N1 | YB | O2 | 155.3° | 155.3° |
| C8 | N1 | YB | O4 | 139.7° | 139.7° |
| C8 | N1 | YB | O6 | 59.3° | 59.3° |
| C8 | N1 | C1 | H7 | 103.3° | 103.3° |
| C8 | N1 | C1 | H8 | 136.9° | 136.9° |
| N1 | C8 | C7 | H9 | 137.8° | 137.8° |
| N1 | C8 | C7 | H10 | 17.7° | 17.7° |
| N1 | C8 | H13 | H14 | 119.7° | 119.7° |
| C8 | N1 | C10 | H25 | 95.0° | 95.0° |
| C8 | N1 | C10 | H26 | 22.9° | 22.9° |
| C11 | C12 | N2 | H15 | 120.0° | 120.0° |
| C11 | C12 | N2 | H16 | 120.0° | 120.0° |
| C12 | C11 | O3 | O4 | 179.8° | 179.8° |
| C11 | C12 | N2 | YB | 61.0° | 61.0° |
| C12 | C11 | O4 | YB | 25.2° | 25.2° |
| C11 | C12 | H15 | H16 | 120.0° | 120.1° |
| N2 | C12 | C11 | O3 | 118.5° | 118.5° |
| N2 | C12 | C11 | O4 | 61.6° | 61.6° |
| C12 | N2 | YB | N1 | 101.1° | 101.1° |
| C12 | N2 | YB | N3 | 130.4° | 130.4° |
| C12 | N2 | YB | N4 | 163.0° | 163.0° |
| C12 | N2 | YB | O2 | 33.0° | 33.0° |
| C12 | N2 | YB | O4 | 34.0° | 34.0° |
| C12 | N2 | YB | O6 | 90.1° | 90.1° |
| C12 | N2 | C2 | H3 | 60.5° | 60.5° |
| C12 | N2 | C2 | H4 | 179.4° | 179.4° |
| C12 | N2 | C3 | H5 | 83.2° | 83.2° |
| C12 | N2 | C3 | H6 | 36.7° | 36.7° |
| N2 | C12 | H15 | H16 | 120.0° | 120.0° |
| C01 | C16 | N4 | H17 | 120.1° | 120.1° |
| C01 | C16 | N4 | H18 | 120.2° | 120.2° |
| C16 | C01 | C02 | C06 | 178.9° | 178.9° |
| C16 | C01 | C02 | C03 | 179.8° | 179.8° |
| C16 | C01 | C06 | C05 | 179.7° | 179.7° |
| C01 | C16 | N4 | YB | 176.8° | 176.8° |
| C01 | C16 | H17 | H18 | 119.5° | 119.5° |
| C16 | C01 | C02 | H21 | 0.2° | 0.2° |
| C16 | C01 | C06 | H24 | 0.3° | 0.3° |
| C16 | N4 | YB | N2 | 168.1° | 168.1° |
| N4 | C16 | C01 | C02 | 83.8° | 83.8° |
| N4 | C16 | C01 | C06 | 97.4° | 97.4° |
| C16 | N4 | YB | N1 | 129.7° | 129.7° |
| C16 | N4 | YB | N3 | 102.7° | 102.7° |
| C16 | N4 | YB | O2 | 64.4° | 64.4° |
| C16 | N4 | YB | O4 | 71.9° | 71.9° |
| C16 | N4 | YB | O6 | 42.4° | 42.4° |
| C16 | N4 | C7 | H9 | 66.6° | 66.6° |
| C16 | N4 | C7 | H10 | 53.5° | 53.5° |
| C16 | N4 | C6 | H11 | 42.8° | 42.8° |
| C16 | N4 | C6 | H12 | 162.8° | 162.8° |
| N4 | C16 | H17 | H18 | 119.6° | 119.6° |
| C14 | C13 | O6 | O5 | 180.0° | 180.0° |
| C13 | C14 | N3 | C5 | 68.5° | 68.5° |
| C13 | C14 | N3 | H27 | 120.1° | 120.1° |
| C13 | C14 | N3 | H28 | 120.1° | 120.1° |
| C13 | C14 | N3 | YB | 49.6° | 49.6° |
| C14 | C13 | O6 | YB | 9.8° | 9.8° |
| C13 | C14 | H27 | H28 | 119.7° | 119.7° |
| C13 | O6 | YB | N2 | 19.7° | 19.7° |
| O6 | C13 | C14 | N3 | 22.0° | 22.0° |
| C13 | O6 | YB | N1 | 123.4° | 123.4° |
| C13 | O6 | YB | N3 | 25.3° | 25.3° |
| C13 | O6 | YB | N4 | 98.8° | 98.8° |
| C13 | O6 | YB | O2 | 145.2° | 145.2° |
| C13 | O6 | YB | O4 | 73.1° | 73.1° |
| O6 | C13 | C14 | H27 | 142.1° | 142.1° |
| O6 | C13 | C14 | H28 | 98.0° | 98.0° |
| O5 | C13 | C14 | N3 | 157.9° | 157.9° |
| O5 | C13 | O6 | YB | 170.3° | 170.3° |
| O5 | C13 | C14 | H27 | 37.9° | 37.9° |
| O5 | C13 | C14 | H28 | 82.0° | 82.0° |
| O2 | C9 | O1 | C10 | 179.2° | 179.2° |
| O2 | C9 | C10 | N1 | 162.0° | 162.0° |
| C9 | O2 | YB | N2 | 48.3° | 48.3° |
| C9 | O2 | YB | N1 | 17.7° | 17.7° |
| C9 | O2 | YB | N3 | 149.8° | 149.8° |
| C9 | O2 | YB | N4 | 80.9° | 80.9° |
| C9 | O2 | YB | O4 | 110.4° | 110.4° |
| C9 | O2 | YB | O6 | 179.0° | 179.0° |
| O2 | C9 | C10 | H25 | 76.9° | 76.9° |
| O2 | C9 | C10 | H26 | 40.9° | 40.9° |
| O1 | C9 | C10 | N1 | 18.8° | 18.8° |
| O1 | C9 | O2 | YB | 125.8° | 125.8° |
| O1 | C9 | C10 | H25 | 102.3° | 102.3° |
| O1 | C9 | C10 | H26 | 139.9° | 139.8° |
| C9 | C10 | N1 | H25 | 121.1° | 121.1° |
| C9 | C10 | N1 | H26 | 121.1° | 121.1° |
| C9 | C10 | N1 | YB | 86.6° | 86.6° |
| C10 | C9 | O2 | YB | 54.9° | 54.9° |
| C9 | C10 | H25 | H26 | 116.6° | 116.5° |
| C5 | N3 | YB | N2 | 136.1° | 136.1° |
| C5 | N3 | C14 | YB | 118.1° | 118.1° |
| C5 | N3 | YB | N1 | 76.7° | 76.7° |
| C5 | N3 | YB | N4 | 16.3° | 16.3° |
| C5 | N3 | YB | O2 | 117.3° | 117.3° |
| C5 | N3 | YB | O4 | 155.6° | 155.6° |
| C5 | N3 | YB | O6 | 82.5° | 82.5° |
| C5 | N3 | C4 | H1 | 81.3° | 81.3° |
| C5 | N3 | C4 | H2 | 38.6° | 38.6° |
| N3 | C5 | C6 | H11 | 164.8° | 164.8° |
| N3 | C5 | C6 | H12 | 44.8° | 44.8° |
| N3 | C5 | H19 | H20 | 120.0° | 120.0° |
| C5 | N3 | C14 | H27 | 51.5° | 51.5° |
| C5 | N3 | C14 | H28 | 171.4° | 171.4° |
| O3 | C11 | O4 | YB | 154.9° | 154.9° |
| O3 | C11 | C12 | H15 | 1.5° | 1.5° |
| O3 | C11 | C12 | H16 | 121.4° | 121.5° |
| C11 | O4 | YB | N2 | 5.5° | 5.5° |
| C11 | O4 | YB | N1 | 47.3° | 47.3° |
| C11 | O4 | YB | N3 | 78.4° | 78.4° |
| C11 | O4 | YB | N4 | 108.1° | 108.1° |
| C11 | O4 | YB | O2 | 111.9° | 111.9° |
| C11 | O4 | YB | O6 | 138.7° | 138.7° |
| O4 | C11 | C12 | H15 | 178.4° | 178.4° |
| O4 | C11 | C12 | H16 | 58.4° | 58.4° |
| C10 | N1 | YB | N2 | 145.7° | 145.7° |
| C10 | N1 | YB | N3 | 154.4° | 154.4° |
| C10 | N1 | YB | N4 | 92.4° | 92.4° |
| C10 | N1 | YB | O2 | 29.6° | 29.6° |
| C10 | N1 | YB | O4 | 94.5° | 94.5° |
| C10 | N1 | YB | O6 | 66.5° | 66.5° |
| C10 | N1 | C1 | H7 | 135.3° | 135.3° |
| C10 | N1 | C1 | H8 | 15.6° | 15.6° |
| C10 | N1 | C8 | H13 | 149.3° | 149.3° |
| C10 | N1 | C8 | H14 | 91.0° | 91.0° |
| N1 | C10 | H25 | H26 | 116.5° | 116.6° |
| N2 | YB | N3 | C14 | 103.2° | 103.2° |
| N2 | YB | N1 | N3 | 59.9° | 59.9° |
| N2 | YB | N1 | N4 | 121.9° | 121.9° |
| N2 | YB | N1 | O2 | 116.1° | 116.1° |
| N2 | YB | N1 | O4 | 51.1° | 51.1° |
| N2 | YB | N1 | O6 | 147.9° | 147.9° |
| N2 | YB | N3 | N4 | 119.8° | 119.8° |
| N2 | YB | N3 | O2 | 106.6° | 106.6° |
| N2 | YB | N3 | O4 | 68.4° | 68.4° |
| N2 | YB | N3 | O6 | 141.4° | 141.4° |
| N2 | YB | N4 | O2 | 127.5° | 127.5° |
| N2 | YB | N4 | O4 | 96.2° | 96.2° |
| N2 | YB | N4 | O6 | 125.7° | 125.7° |
| N2 | YB | O2 | O4 | 62.0° | 62.0° |
| N2 | YB | O2 | O6 | 132.7° | 132.7° |
| N2 | YB | O4 | O6 | 133.2° | 133.2° |
| YB | N2 | C2 | H3 | 176.5° | 176.5° |
| YB | N2 | C2 | H4 | 63.5° | 63.5° |
| YB | N2 | C3 | H5 | 156.8° | 156.8° |
| YB | N2 | C3 | H6 | 83.3° | 83.3° |
| YB | N2 | C12 | H15 | 179.0° | 179.0° |
| YB | N2 | C12 | H16 | 59.0° | 59.0° |
| C01 | C02 | C03 | H21 | 180.0° | 180.0° |
| C01 | C02 | C03 | C04 | 0.6° | 0.6° |
| C02 | C01 | C06 | C05 | 0.8° | 0.8° |
| C02 | C01 | C16 | H17 | 36.4° | 36.4° |
| C02 | C01 | C16 | H18 | 156.1° | 156.1° |
| C01 | C02 | C03 | H22 | 179.4° | 179.4° |
| C02 | C01 | C06 | H24 | 179.2° | 179.2° |
| C06 | C01 | C02 | C03 | 0.9° | 0.9° |
| C01 | C06 | C05 | C04 | 0.4° | 0.4° |
| C01 | C06 | C05 | H24 | 180.0° | 180.0° |
| C06 | C01 | C16 | H17 | 142.5° | 142.5° |
| C06 | C01 | C16 | H18 | 22.8° | 22.8° |
| C06 | C01 | C02 | H21 | 179.0° | 179.1° |
| C01 | C06 | C05 | H23 | 179.6° | 179.6° |
| C02 | C03 | C04 | H22 | 180.0° | 180.0° |
| C02 | C03 | C04 | C05 | 0.2° | 0.2° |
| C02 | C03 | C04 | O01 | 179.9° | 179.9° |
| C03 | C04 | C05 | O01 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 0.0° | 0.0° |
| C04 | C03 | C02 | H21 | 179.4° | 179.4° |
| C03 | C04 | C05 | H23 | 180.0° | 180.0° |
| C03 | C04 | O01 | H29 | 180.0° | 180.0° |
| C04 | C05 | C06 | H23 | 180.0° | 180.0° |
| C05 | C04 | C03 | H22 | 179.9° | 179.9° |
| C04 | C05 | C06 | H24 | 179.6° | 179.6° |
| C05 | C04 | O01 | H29 | 0.0° | 0.0° |
| O01 | C04 | C05 | C06 | 180.0° | 180.0° |
| O01 | C04 | C03 | H22 | 0.1° | 0.1° |
| O01 | C04 | C05 | H23 | 0.0° | 0.0° |
| C14 | N3 | YB | N1 | 162.5° | 162.5° |
| C14 | N3 | YB | N4 | 137.1° | 137.1° |
| C14 | N3 | YB | O2 | 3.4° | 3.4° |
| C14 | N3 | YB | O4 | 34.8° | 34.8° |
| C14 | N3 | YB | O6 | 38.2° | 38.2° |
| C14 | N3 | C4 | H1 | 38.3° | 38.3° |
| C14 | N3 | C4 | H2 | 158.2° | 158.2° |
| C14 | N3 | C5 | H19 | 64.9° | 64.9° |
| C14 | N3 | C5 | H20 | 55.1° | 55.1° |
| N3 | C14 | H27 | H28 | 119.8° | 119.8° |
| N1 | YB | N3 | N4 | 60.4° | 60.4° |
| N1 | YB | N3 | O2 | 166.0° | 166.0° |
| N1 | YB | N3 | O4 | 127.8° | 127.8° |
| N1 | YB | N3 | O6 | 159.2° | 159.2° |
| N1 | YB | N4 | O2 | 65.4° | 65.4° |
| N1 | YB | N4 | O4 | 158.3° | 158.3° |
| N1 | YB | N4 | O6 | 172.2° | 172.2° |
| N1 | YB | O2 | O4 | 128.1° | 128.1° |
| N1 | YB | O2 | O6 | 161.3° | 161.3° |
| N1 | YB | O4 | O6 | 174.0° | 174.0° |
| YB | N1 | C1 | H7 | 178.4° | 178.4° |
| YB | N1 | C1 | H8 | 61.8° | 61.8° |
| YB | N1 | C8 | H13 | 167.3° | 167.3° |
| YB | N1 | C8 | H14 | 47.5° | 47.5° |
| YB | N1 | C10 | H25 | 152.3° | 152.3° |
| YB | N1 | C10 | H26 | 34.5° | 34.4° |
| N3 | YB | N4 | O2 | 167.1° | 167.1° |
| N3 | YB | N4 | O4 | 30.8° | 30.8° |
| N3 | YB | N4 | O6 | 60.3° | 60.3° |
| N3 | YB | O2 | O4 | 39.4° | 39.4° |
| N3 | YB | O2 | O6 | 31.2° | 31.2° |
| N3 | YB | O4 | O6 | 60.4° | 60.4° |
| YB | N3 | C4 | H1 | 166.1° | 166.1° |
| YB | N3 | C4 | H2 | 74.1° | 74.1° |
| YB | N3 | C5 | H19 | 169.4° | 169.4° |
| YB | N3 | C5 | H20 | 70.7° | 70.7° |
| YB | N3 | C14 | H27 | 169.6° | 169.6° |
| YB | N3 | C14 | H28 | 70.5° | 70.5° |
| N4 | YB | O2 | O4 | 168.7° | 168.7° |
| N4 | YB | O2 | O6 | 98.1° | 98.1° |
| N4 | YB | O4 | O6 | 30.6° | 30.6° |
| YB | N4 | C7 | H9 | 162.9° | 162.9° |
| YB | N4 | C7 | H10 | 77.0° | 77.0° |
| YB | N4 | C6 | H11 | 171.2° | 171.2° |
| YB | N4 | C6 | H12 | 68.9° | 68.8° |
| YB | N4 | C16 | H17 | 56.6° | 56.6° |
| YB | N4 | C16 | H18 | 63.1° | 63.1° |
| O2 | YB | O4 | O6 | 109.4° | 109.4° |
| H1 | C4 | C3 | H5 | 63.6° | 63.6° |
| H1 | C4 | C3 | H6 | 56.3° | 56.3° |
| H2 | C4 | C3 | H5 | 56.3° | 56.3° |
| H2 | C4 | C3 | H6 | 176.2° | 176.2° |
| H3 | C2 | C1 | H7 | 25.1° | 25.0° |
| H3 | C2 | C1 | H8 | 94.7° | 94.7° |
| H4 | C2 | C1 | H7 | 95.0° | 95.0° |
| H4 | C2 | C1 | H8 | 145.3° | 145.3° |
| H9 | C7 | C8 | H13 | 17.6° | 17.6° |
| H9 | C7 | C8 | H14 | 102.1° | 102.1° |
| H10 | C7 | C8 | H13 | 102.4° | 102.4° |
| H10 | C7 | C8 | H14 | 137.9° | 137.9° |
| H11 | C6 | C5 | H19 | 44.8° | 44.8° |
| H11 | C6 | C5 | H20 | 75.2° | 75.2° |
| H12 | C6 | C5 | H19 | 75.2° | 75.2° |
| H12 | C6 | C5 | H20 | 164.8° | 164.8° |
| H21 | C02 | C03 | H22 | 0.6° | 0.5° |
| H23 | C05 | C06 | H24 | 0.4° | 0.4° |
