FD0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.51Å | 1.56Å | |
| O04 | C03 | doub | 1.21Å | 1.19Å | |
| C03 | N05 | sing | 1.35Å | 1.49Å | |
| C44 | C12 | sing | 1.53Å | 1.49Å | |
| C44 | C43 | sing | 1.53Å | 1.54Å | |
| N05 | C12 | sing | 1.47Å | 1.50Å | |
| N05 | C06 | sing | 1.40Å | 1.46Å | |
| C07 | C06 | doub | 1.39Å | 1.39Å | Aromatic |
| C07 | C08 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.53Å | 1.49Å | |
| C43 | N15 | sing | 1.47Å | 1.50Å | |
| C06 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | N15 | sing | 1.47Å | 1.50Å | |
| N15 | C16 | sing | 1.47Å | 1.47Å | |
| C09 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C17 | N18 | sing | 1.47Å | 1.47Å | |
| N18 | C19 | sing | 1.35Å | 1.48Å | |
| O20 | C19 | doub | 1.21Å | 1.18Å | |
| C19 | C21 | sing | 1.51Å | 1.56Å | |
| C21 | C22 | sing | 1.53Å | 1.57Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| N26 | C24 | sing | 1.35Å | 1.48Å | |
| C23 | C24 | sing | 1.51Å | 1.56Å | |
| C24 | O25 | doub | 1.21Å | 1.19Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C17 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C02 | H13 | sing | 1.09Å | 1.10Å | |
| C02 | H14 | sing | 1.09Å | 1.10Å | |
| C07 | H15 | sing | 1.08Å | 1.08Å | |
| C08 | H16 | sing | 1.08Å | 1.08Å | |
| C09 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H18 | sing | 1.08Å | 1.08Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C14 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C43 | H26 | sing | 1.09Å | 1.10Å | |
| C43 | H27 | sing | 1.09Å | 1.10Å | |
| C44 | H28 | sing | 1.09Å | 1.10Å | |
| C44 | H29 | sing | 1.09Å | 1.10Å | |
| N18 | H31 | sing | 0.97Å | 1.00Å | |
| N26 | H32 | sing | 0.97Å | 1.00Å | |
| N26 | C1 | sing | 1.46Å | 93.07Å | |
| C1 | C2 | sing | 1.51Å | 0.00Å | |
| C2 | N1 | sing | 1.35Å | 0.00Å | |
| N1 | C4 | sing | 1.47Å | 0.00Å | |
| C4 | C5 | sing | 1.51Å | 0.00Å | |
| C5 | N2 | sing | 1.35Å | 0.00Å | |
| N2 | C7 | sing | 1.46Å | 0.00Å | |
| C7 | C8 | sing | 1.51Å | 0.00Å | |
| C8 | N3 | sing | 1.35Å | 0.00Å | |
| N3 | C15 | sing | 1.47Å | 0.00Å | |
| C15 | C18 | sing | 1.51Å | 0.00Å | |
| C18 | O4 | sing | 1.34Å | 0.00Å | |
| C2 | O1 | doub | 1.21Å | 0.00Å | |
| C5 | O2 | doub | 1.21Å | 0.00Å | |
| C8 | O3 | doub | 1.21Å | 0.00Å | |
| C18 | O5 | doub | 1.21Å | 0.00Å | |
| C1 | H30 | sing | 1.09Å | 0.00Å | |
| C1 | H33 | sing | 1.09Å | 0.00Å | |
| N1 | H34 | sing | 0.97Å | 0.00Å | |
| C4 | H35 | sing | 1.09Å | 0.00Å | |
| C4 | H36 | sing | 1.09Å | 0.00Å | |
| N2 | H37 | sing | 0.97Å | 0.00Å | |
| C7 | H38 | sing | 1.09Å | 0.00Å | |
| C7 | H39 | sing | 1.09Å | 0.00Å | |
| N3 | H40 | sing | 0.97Å | 0.00Å | |
| C15 | H41 | sing | 1.09Å | 0.00Å | |
| C15 | H42 | sing | 1.09Å | 0.00Å | |
| O4 | H43 | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 112.9° | 109.4° |
| C02 | C01 | H10 | 109.5° | 109.4° |
| C02 | C01 | H11 | 109.5° | 109.4° |
| C02 | C01 | H12 | 109.5° | 109.4° |
| C01 | C02 | H13 | 108.6° | 109.5° |
| C01 | C02 | H14 | 108.6° | 109.4° |
| C02 | C03 | O04 | 119.4° | 120.0° |
| C02 | C03 | N05 | 119.2° | 119.9° |
| C03 | C02 | H13 | 108.6° | 109.5° |
| C03 | C02 | H14 | 108.6° | 109.5° |
| O04 | C03 | N05 | 121.4° | 120.0° |
| C03 | N05 | C12 | 123.5° | 120.0° |
| C03 | N05 | C06 | 119.8° | 120.0° |
| C12 | C44 | C43 | 109.3° | 109.3° |
| C44 | C12 | N05 | 113.5° | 109.6° |
| C44 | C12 | C13 | 110.0° | 109.2° |
| C44 | C12 | H19 | 107.5° | 109.5° |
| C12 | C44 | H28 | 109.5° | 109.5° |
| C12 | C44 | H29 | 109.5° | 109.5° |
| C44 | C43 | N15 | 113.6° | 109.5° |
| C44 | C43 | H26 | 108.5° | 109.5° |
| C44 | C43 | H27 | 108.4° | 109.4° |
| C43 | C44 | H28 | 109.5° | 109.5° |
| C43 | C44 | H29 | 109.5° | 109.5° |
| C12 | N05 | C06 | 116.7° | 120.0° |
| N05 | C12 | C13 | 110.9° | 109.5° |
| N05 | C12 | H19 | 107.3° | 109.5° |
| N05 | C06 | C07 | 120.2° | 120.1° |
| N05 | C06 | C11 | 119.5° | 120.1° |
| C06 | C07 | C08 | 119.8° | 120.0° |
| C07 | C06 | C11 | 120.2° | 119.8° |
| C06 | C07 | H15 | 120.1° | 120.0° |
| C07 | C08 | C09 | 120.1° | 120.0° |
| C08 | C07 | H15 | 120.1° | 120.0° |
| C07 | C08 | H16 | 119.9° | 120.0° |
| C12 | C13 | C14 | 109.1° | 109.3° |
| C12 | C13 | H2 | 109.6° | 109.5° |
| C12 | C13 | H3 | 109.6° | 109.5° |
| C13 | C12 | H19 | 107.4° | 109.6° |
| C43 | N15 | C14 | 115.9° | 111.2° |
| C43 | N15 | C16 | 111.8° | 111.0° |
| N15 | C43 | H26 | 108.4° | 109.5° |
| N15 | C43 | H27 | 108.5° | 109.5° |
| C06 | C11 | C10 | 119.9° | 119.9° |
| C06 | C11 | H18 | 120.1° | 120.0° |
| C08 | C09 | C10 | 120.1° | 120.2° |
| C09 | C08 | H16 | 120.0° | 120.0° |
| C08 | C09 | H17 | 120.0° | 119.9° |
| C13 | C14 | N15 | 113.5° | 109.5° |
| C14 | C13 | H2 | 109.6° | 109.5° |
| C14 | C13 | H3 | 109.6° | 109.5° |
| C13 | C14 | H20 | 108.5° | 109.5° |
| C13 | C14 | H21 | 108.5° | 109.5° |
| C11 | C10 | C09 | 119.9° | 120.1° |
| C11 | C10 | H1 | 120.0° | 120.0° |
| C10 | C11 | H18 | 120.0° | 120.1° |
| C14 | N15 | C16 | 109.3° | 111.0° |
| N15 | C14 | H20 | 108.4° | 109.4° |
| N15 | C14 | H21 | 108.5° | 109.5° |
| N15 | C16 | C17 | 111.6° | 109.4° |
| N15 | C16 | H22 | 108.9° | 109.5° |
| N15 | C16 | H23 | 108.9° | 109.5° |
| C09 | C10 | H1 | 120.1° | 120.0° |
| C10 | C09 | H17 | 119.9° | 119.9° |
| C16 | C17 | N18 | 110.3° | 109.5° |
| C16 | C17 | H4 | 109.3° | 109.5° |
| C16 | C17 | H5 | 109.2° | 109.5° |
| C17 | C16 | H22 | 108.9° | 109.5° |
| C17 | C16 | H23 | 109.0° | 109.5° |
| C17 | N18 | C19 | 121.4° | 120.0° |
| N18 | C17 | H4 | 109.2° | 109.5° |
| N18 | C17 | H5 | 109.3° | 109.4° |
| C17 | N18 | H31 | 119.3° | 120.0° |
| N18 | C19 | O20 | 120.7° | 120.0° |
| N18 | C19 | C21 | 119.5° | 120.0° |
| C19 | N18 | H31 | 119.3° | 120.0° |
| O20 | C19 | C21 | 119.8° | 120.0° |
| C19 | C21 | C22 | 111.2° | 109.5° |
| C19 | C21 | H6 | 109.0° | 109.4° |
| C19 | C21 | H7 | 109.0° | 109.4° |
| C21 | C22 | C23 | 113.2° | 109.5° |
| C22 | C21 | H6 | 109.0° | 109.5° |
| C22 | C21 | H7 | 109.0° | 109.5° |
| C21 | C22 | H8 | 108.6° | 109.5° |
| C21 | C22 | H9 | 108.5° | 109.5° |
| C22 | C23 | C24 | 111.4° | 109.5° |
| C23 | C22 | H8 | 108.5° | 109.5° |
| C23 | C22 | H9 | 108.5° | 109.5° |
| C22 | C23 | H24 | 109.0° | 109.4° |
| C22 | C23 | H25 | 109.0° | 109.5° |
| N26 | C24 | C23 | 119.9° | 120.0° |
| N26 | C24 | O25 | 120.0° | 120.0° |
| C24 | N26 | H32 | 136.9° | 120.0° |
| C24 | N26 | C1 | 86.3° | 120.0° |
| C23 | C24 | O25 | 120.0° | 120.0° |
| C24 | C23 | H24 | 109.0° | 109.4° |
| C24 | C23 | H25 | 109.0° | 109.5° |
| H2 | C13 | H3 | 109.5° | 109.4° |
| H4 | C17 | H5 | 109.5° | 109.5° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.5° |
| H10 | C01 | H12 | 109.4° | 109.5° |
| H11 | C01 | H12 | 109.4° | 109.5° |
| H13 | C02 | H14 | 109.5° | 109.5° |
| H20 | C14 | H21 | 109.4° | 109.4° |
| H22 | C16 | H23 | 109.5° | 109.5° |
| H24 | C23 | H25 | 109.5° | 109.5° |
| H26 | C43 | H27 | 109.4° | 109.5° |
| H28 | C44 | H29 | 109.5° | 109.6° |
| H32 | N26 | C1 | 136.8° | 120.0° |
| N26 | C1 | C2 | 90.0° | 109.5° |
| N26 | C1 | H30 | 90.0° | 109.4° |
| N26 | C1 | H33 | 90.0° | 109.5° |
| C1 | C2 | N1 | 90.0° | 120.0° |
| C1 | C2 | O1 | 90.0° | 120.0° |
| C2 | C1 | H30 | 90.0° | 109.5° |
| C2 | C1 | H33 | 90.0° | 109.5° |
| C2 | N1 | C4 | 90.0° | 120.0° |
| N1 | C2 | O1 | 90.0° | 120.0° |
| C2 | N1 | H34 | 90.0° | 120.0° |
| N1 | C4 | C5 | 90.0° | 109.5° |
| C4 | N1 | H34 | 90.0° | 120.0° |
| N1 | C4 | H35 | 90.0° | 109.5° |
| N1 | C4 | H36 | 90.0° | 109.5° |
| C4 | C5 | N2 | 90.0° | 120.0° |
| C4 | C5 | O2 | 90.0° | 120.0° |
| C5 | C4 | H35 | 90.0° | 109.5° |
| C5 | C4 | H36 | 90.0° | 109.5° |
| C5 | N2 | C7 | 90.0° | 120.0° |
| N2 | C5 | O2 | 90.0° | 120.0° |
| C5 | N2 | H37 | 90.0° | 120.0° |
| N2 | C7 | C8 | 90.0° | 109.5° |
| C7 | N2 | H37 | 90.0° | 120.0° |
| N2 | C7 | H38 | 90.0° | 109.5° |
| N2 | C7 | H39 | 90.0° | 109.5° |
| C7 | C8 | N3 | 90.0° | 120.0° |
| C7 | C8 | O3 | 90.0° | 120.0° |
| C8 | C7 | H38 | 90.0° | 109.5° |
| C8 | C7 | H39 | 90.0° | 109.5° |
| C8 | N3 | C15 | 90.0° | 120.0° |
| N3 | C8 | O3 | 90.0° | 120.0° |
| C8 | N3 | H40 | 90.0° | 120.0° |
| N3 | C15 | C18 | 90.0° | 109.4° |
| C15 | N3 | H40 | 90.0° | 120.0° |
| N3 | C15 | H41 | 90.0° | 109.5° |
| N3 | C15 | H42 | 90.0° | 109.5° |
| C15 | C18 | O4 | 90.0° | 120.0° |
| C15 | C18 | O5 | 90.0° | 120.0° |
| C18 | C15 | H41 | 90.0° | 109.5° |
| C18 | C15 | H42 | 90.0° | 109.5° |
| O4 | C18 | O5 | 90.0° | 119.9° |
| C18 | O4 | H43 | 90.0° | 117.0° |
| H30 | C1 | H33 | 90.0° | 109.5° |
| H35 | C4 | H36 | 90.0° | 109.5° |
| H38 | C7 | H39 | 90.0° | 109.4° |
| H41 | C15 | H42 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | H13 | 120.5° | 120.0° |
| C01 | C02 | C03 | H14 | 120.5° | 119.9° |
| C01 | C02 | C03 | O04 | 10.3° | 69.9° |
| C01 | C02 | C03 | N05 | 169.5° | 110.2° |
| C02 | C01 | H10 | H11 | 120.0° | 120.0° |
| C02 | C01 | H10 | H12 | 120.0° | 119.9° |
| C02 | C01 | H11 | H12 | 120.0° | 120.0° |
| C01 | C02 | H13 | H14 | 118.5° | 120.0° |
| C02 | C03 | O04 | N05 | 179.8° | 180.0° |
| C02 | C03 | N05 | C12 | 179.5° | 177.0° |
| C02 | C03 | N05 | C06 | 0.4° | 3.1° |
| C03 | C02 | C01 | H10 | 180.0° | 180.0° |
| C03 | C02 | C01 | H11 | 60.0° | 60.1° |
| C03 | C02 | C01 | H12 | 60.0° | 60.0° |
| C03 | C02 | H13 | H14 | 118.4° | 120.0° |
| O04 | C03 | N05 | C12 | 0.7° | 3.1° |
| O04 | C03 | N05 | C06 | 179.8° | 176.9° |
| O04 | C03 | C02 | H13 | 130.8° | 170.1° |
| O04 | C03 | C02 | H14 | 110.2° | 50.1° |
| C03 | N05 | C12 | C44 | 62.3° | 16.2° |
| C03 | N05 | C12 | C06 | 179.1° | 180.0° |
| C03 | N05 | C06 | C07 | 83.8° | 104.6° |
| C03 | N05 | C12 | C13 | 62.1° | 135.9° |
| C03 | N05 | C06 | C11 | 96.9° | 75.4° |
| N05 | C03 | C02 | H13 | 49.0° | 9.9° |
| N05 | C03 | C02 | H14 | 70.0° | 129.9° |
| C03 | N05 | C12 | H19 | 179.1° | 103.9° |
| C12 | C44 | C43 | H28 | 120.0° | 120.0° |
| C12 | C44 | C43 | H29 | 120.0° | 119.9° |
| C44 | C12 | N05 | C13 | 124.4° | 119.7° |
| C44 | C12 | N05 | H19 | 118.6° | 120.1° |
| C44 | C12 | N05 | C06 | 118.5° | 163.8° |
| C44 | C12 | C13 | H19 | 116.7° | 119.9° |
| C12 | C44 | C43 | N15 | 7.2° | 59.2° |
| C44 | C12 | C13 | C14 | 66.1° | 57.7° |
| C44 | C12 | C13 | H2 | 174.0° | 62.4° |
| C44 | C12 | C13 | H3 | 53.8° | 177.6° |
| C12 | C44 | C43 | H26 | 127.9° | 60.9° |
| C12 | C44 | C43 | H27 | 113.4° | 179.1° |
| C12 | C44 | H28 | H29 | 120.1° | 120.1° |
| C43 | C44 | C12 | N05 | 173.4° | 62.3° |
| C43 | C44 | C12 | C13 | 61.7° | 57.6° |
| C44 | C43 | N15 | H26 | 120.6° | 120.1° |
| C44 | C43 | N15 | H27 | 120.6° | 119.9° |
| C44 | C43 | N15 | C14 | 42.4° | 61.7° |
| C44 | C43 | N15 | C16 | 168.5° | 174.2° |
| C43 | C44 | C12 | H19 | 54.9° | 177.6° |
| C44 | C43 | H26 | H27 | 118.1° | 119.9° |
| C43 | C44 | H28 | H29 | 120.1° | 120.1° |
| C12 | N05 | C06 | C07 | 97.0° | 75.4° |
| N05 | C12 | C13 | H19 | 117.0° | 120.1° |
| C12 | N05 | C06 | C11 | 82.2° | 104.5° |
| N05 | C12 | C13 | C14 | 167.6° | 62.3° |
| N05 | C12 | C13 | H2 | 47.6° | 177.7° |
| N05 | C12 | C13 | H3 | 72.5° | 57.7° |
| N05 | C12 | C44 | H28 | 66.7° | 57.7° |
| N05 | C12 | C44 | H29 | 53.4° | 177.8° |
| N05 | C06 | C07 | C11 | 179.2° | 180.0° |
| N05 | C06 | C07 | C08 | 179.7° | 179.7° |
| C06 | N05 | C12 | C13 | 117.0° | 44.1° |
| N05 | C06 | C11 | C10 | 179.7° | 180.0° |
| N05 | C06 | C07 | H15 | 0.3° | 0.0° |
| N05 | C06 | C11 | H18 | 0.3° | 0.0° |
| C06 | N05 | C12 | H19 | 0.0° | 76.1° |
| C06 | C07 | C08 | H15 | 180.0° | 179.7° |
| C06 | C07 | C08 | C09 | 0.3° | 0.2° |
| C07 | C06 | C11 | C10 | 0.5° | 0.0° |
| C06 | C07 | C08 | H16 | 179.7° | 180.0° |
| C07 | C06 | C11 | H18 | 179.5° | 180.0° |
| C08 | C07 | C06 | C11 | 0.5° | 0.2° |
| C07 | C08 | C09 | H16 | 180.0° | 179.8° |
| C07 | C08 | C09 | C10 | 0.1° | 0.0° |
| C07 | C08 | C09 | H17 | 179.9° | 180.0° |
| C12 | C13 | C14 | H2 | 119.9° | 120.0° |
| C12 | C13 | C14 | H3 | 119.9° | 120.0° |
| C12 | C13 | C14 | N15 | 14.6° | 59.2° |
| C12 | C13 | H2 | H3 | 120.2° | 120.1° |
| C12 | C13 | C14 | H20 | 106.0° | 179.2° |
| C12 | C13 | C14 | H21 | 135.2° | 60.8° |
| C13 | C12 | C44 | H28 | 58.3° | 177.6° |
| C13 | C12 | C44 | H29 | 178.3° | 62.3° |
| C43 | N15 | C14 | C13 | 38.3° | 61.7° |
| C43 | N15 | C14 | C16 | 127.4° | 124.1° |
| C43 | N15 | C16 | C17 | 50.0° | 65.8° |
| C43 | N15 | C14 | H20 | 158.9° | 178.2° |
| C43 | N15 | C14 | H21 | 82.3° | 58.3° |
| C43 | N15 | C16 | H22 | 170.3° | 54.2° |
| C43 | N15 | C16 | H23 | 70.4° | 174.2° |
| N15 | C43 | H26 | H27 | 118.1° | 120.0° |
| N15 | C43 | C44 | H28 | 112.7° | 179.1° |
| N15 | C43 | C44 | H29 | 127.2° | 60.7° |
| C06 | C11 | C10 | H18 | 180.0° | 180.0° |
| C06 | C11 | C10 | C09 | 0.3° | 0.3° |
| C06 | C11 | C10 | H1 | 179.7° | 180.0° |
| C11 | C06 | C07 | H15 | 179.5° | 179.9° |
| C08 | C09 | C10 | C11 | 0.0° | 0.3° |
| C08 | C09 | C10 | H17 | 180.0° | 179.9° |
| C08 | C09 | C10 | H1 | 179.9° | 180.0° |
| C09 | C08 | C07 | H15 | 179.7° | 179.9° |
| C13 | C14 | N15 | H20 | 120.6° | 120.0° |
| C13 | C14 | N15 | H21 | 120.6° | 120.0° |
| C13 | C14 | N15 | C16 | 165.7° | 174.2° |
| C14 | C13 | H2 | H3 | 120.2° | 120.0° |
| C14 | C13 | C12 | H19 | 50.6° | 177.6° |
| C13 | C14 | H20 | H21 | 118.2° | 120.0° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C11 | C10 | C09 | H17 | 179.9° | 179.7° |
| C14 | N15 | C16 | C17 | 179.6° | 170.0° |
| N15 | C14 | C13 | H2 | 134.5° | 60.8° |
| N15 | C14 | C13 | H3 | 105.3° | 179.2° |
| N15 | C14 | H20 | H21 | 118.1° | 120.0° |
| C14 | N15 | C16 | H22 | 60.1° | 70.0° |
| C14 | N15 | C16 | H23 | 59.3° | 50.0° |
| C14 | N15 | C43 | H26 | 78.3° | 58.3° |
| C14 | N15 | C43 | H27 | 163.0° | 178.3° |
| N15 | C16 | C17 | H22 | 120.3° | 120.0° |
| N15 | C16 | C17 | H23 | 120.3° | 120.0° |
| N15 | C16 | C17 | N18 | 99.0° | 180.0° |
| N15 | C16 | C17 | H4 | 140.9° | 60.0° |
| N15 | C16 | C17 | H5 | 21.2° | 60.1° |
| C16 | N15 | C14 | H20 | 73.7° | 54.1° |
| C16 | N15 | C14 | H21 | 45.1° | 65.8° |
| N15 | C16 | H22 | H23 | 119.0° | 120.0° |
| C16 | N15 | C43 | H26 | 47.9° | 65.8° |
| C16 | N15 | C43 | H27 | 70.9° | 54.2° |
| C10 | C09 | C08 | H16 | 179.9° | 179.8° |
| C09 | C10 | C11 | H18 | 179.7° | 179.7° |
| C16 | C17 | N18 | H4 | 120.1° | 120.0° |
| C16 | C17 | N18 | H5 | 120.1° | 120.0° |
| C16 | C17 | N18 | C19 | 68.2° | 180.0° |
| C16 | C17 | H4 | H5 | 119.6° | 120.0° |
| C17 | C16 | H22 | H23 | 119.0° | 120.0° |
| C16 | C17 | N18 | H31 | 111.8° | 0.0° |
| C17 | N18 | C19 | H31 | 180.0° | 179.9° |
| C17 | N18 | C19 | O20 | 0.1° | 0.1° |
| C17 | N18 | C19 | C21 | 179.9° | 180.0° |
| N18 | C17 | H4 | H5 | 119.6° | 119.9° |
| N18 | C17 | C16 | H22 | 21.3° | 60.0° |
| N18 | C17 | C16 | H23 | 140.7° | 60.0° |
| N18 | C19 | O20 | C21 | 179.7° | 180.0° |
| N18 | C19 | C21 | C22 | 96.6° | 180.0° |
| C19 | N18 | C17 | H4 | 52.0° | 60.0° |
| C19 | N18 | C17 | H5 | 171.7° | 60.0° |
| N18 | C19 | C21 | H6 | 23.7° | 60.0° |
| N18 | C19 | C21 | H7 | 143.2° | 59.9° |
| O20 | C19 | C21 | C22 | 83.2° | 0.0° |
| O20 | C19 | C21 | H6 | 156.5° | 120.0° |
| O20 | C19 | C21 | H7 | 37.1° | 120.0° |
| O20 | C19 | N18 | H31 | 179.9° | 180.0° |
| C19 | C21 | C22 | H6 | 120.3° | 120.0° |
| C19 | C21 | C22 | H7 | 120.3° | 120.0° |
| C19 | C21 | C22 | C23 | 146.9° | 180.0° |
| C19 | C21 | H6 | H7 | 119.2° | 119.9° |
| C19 | C21 | C22 | H8 | 26.4° | 60.0° |
| C19 | C21 | C22 | H9 | 92.5° | 60.0° |
| C21 | C19 | N18 | H31 | 0.1° | 0.0° |
| C21 | C22 | C23 | H8 | 120.6° | 120.0° |
| C21 | C22 | C23 | H9 | 120.5° | 120.0° |
| C21 | C22 | C23 | C24 | 150.4° | 180.0° |
| C22 | C21 | H6 | H7 | 119.2° | 120.1° |
| C21 | C22 | H8 | H9 | 118.3° | 120.0° |
| C21 | C22 | C23 | H24 | 89.3° | 60.1° |
| C21 | C22 | C23 | H25 | 30.1° | 60.0° |
| C22 | C23 | C24 | N26 | 51.4° | 180.0° |
| C22 | C23 | C24 | H24 | 120.3° | 119.9° |
| C22 | C23 | C24 | H25 | 120.3° | 120.0° |
| C22 | C23 | C24 | O25 | 127.8° | 0.0° |
| C23 | C22 | C21 | H6 | 92.8° | 60.0° |
| C23 | C22 | C21 | H7 | 26.7° | 60.0° |
| C23 | C22 | H8 | H9 | 118.3° | 120.0° |
| C22 | C23 | H24 | H25 | 119.1° | 120.0° |
| N26 | C24 | C23 | O25 | 179.2° | 180.0° |
| N26 | C24 | C23 | H24 | 68.9° | 60.0° |
| N26 | C24 | C23 | H25 | 171.7° | 60.0° |
| C24 | N26 | H32 | C1 | 180.0° | 179.9° |
| C24 | N26 | C1 | C2 | 90.0° | 180.0° |
| C24 | N26 | C1 | H30 | 90.0° | 60.0° |
| C24 | N26 | C1 | H33 | 90.0° | 60.0° |
| C24 | C23 | C22 | H8 | 29.8° | 60.0° |
| C24 | C23 | C22 | H9 | 89.0° | 60.0° |
| C24 | C23 | H24 | H25 | 119.1° | 120.0° |
| C23 | C24 | N26 | H32 | 152.4° | 0.0° |
| C23 | C24 | N26 | C1 | 27.6° | 180.0° |
| O25 | C24 | C23 | H24 | 111.9° | 120.0° |
| O25 | C24 | C23 | H25 | 7.5° | 120.0° |
| O25 | C24 | N26 | H32 | 28.5° | 180.0° |
| O25 | C24 | N26 | C1 | 151.5° | 0.0° |
| H1 | C10 | C09 | H17 | 0.1° | 0.1° |
| H1 | C10 | C11 | H18 | 0.3° | 0.0° |
| H2 | C13 | C12 | H19 | 69.4° | 57.6° |
| H2 | C13 | C14 | H20 | 13.9° | 59.2° |
| H2 | C13 | C14 | H21 | 104.9° | 179.2° |
| H3 | C13 | C12 | H19 | 170.5° | 62.5° |
| H3 | C13 | C14 | H20 | 134.1° | 60.8° |
| H3 | C13 | C14 | H21 | 15.3° | 59.2° |
| H4 | C17 | C16 | H22 | 98.8° | 60.0° |
| H4 | C17 | C16 | H23 | 20.5° | 180.0° |
| H4 | C17 | N18 | H31 | 128.0° | 120.0° |
| H5 | C17 | C16 | H22 | 141.5° | 180.0° |
| H5 | C17 | C16 | H23 | 99.2° | 60.0° |
| H5 | C17 | N18 | H31 | 8.3° | 120.0° |
| H6 | C21 | C22 | H8 | 146.6° | 60.0° |
| H6 | C21 | C22 | H9 | 27.7° | 180.0° |
| H7 | C21 | C22 | H8 | 93.9° | 180.0° |
| H7 | C21 | C22 | H9 | 147.2° | 60.0° |
| H8 | C22 | C23 | H24 | 150.1° | 180.0° |
| H8 | C22 | C23 | H25 | 90.5° | 60.0° |
| H9 | C22 | C23 | H24 | 31.3° | 59.9° |
| H9 | C22 | C23 | H25 | 150.7° | 180.0° |
| H10 | C01 | H11 | H12 | 120.0° | 120.0° |
| H10 | C01 | C02 | H13 | 59.5° | 60.0° |
| H10 | C01 | C02 | H14 | 59.5° | 60.0° |
| H11 | C01 | C02 | H13 | 60.5° | 60.0° |
| H11 | C01 | C02 | H14 | 179.5° | 180.0° |
| H12 | C01 | C02 | H13 | 179.5° | 179.9° |
| H12 | C01 | C02 | H14 | 60.5° | 59.9° |
| H15 | C07 | C08 | H16 | 0.3° | 0.3° |
| H16 | C08 | C09 | H17 | 0.1° | 0.2° |
| H19 | C12 | C44 | H28 | 174.9° | 62.4° |
| H19 | C12 | C44 | H29 | 65.1° | 57.7° |
| H26 | C43 | C44 | H28 | 7.9° | 59.1° |
| H26 | C43 | C44 | H29 | 112.2° | 179.2° |
| H27 | C43 | C44 | H28 | 126.6° | 60.9° |
| H27 | C43 | C44 | H29 | 6.6° | 59.3° |
| H32 | N26 | C1 | C2 | 90.0° | 0.1° |
| H32 | N26 | C1 | H30 | 90.0° | 120.0° |
| H32 | N26 | C1 | H33 | 90.0° | 120.0° |
| N26 | C1 | C2 | H30 | 90.0° | 119.9° |
| N26 | C1 | C2 | H33 | 90.0° | 120.0° |
| N26 | C1 | C2 | N1 | 90.0° | 180.0° |
| N26 | C1 | C2 | O1 | 90.0° | 0.0° |
| N26 | C1 | H30 | H33 | 90.0° | 120.0° |
| C1 | C2 | N1 | O1 | 90.0° | 180.0° |
| C1 | C2 | N1 | C4 | 90.0° | 180.0° |
| C2 | C1 | H30 | H33 | 90.0° | 120.0° |
| C1 | C2 | N1 | H34 | 90.0° | 0.0° |
| C2 | N1 | C4 | H34 | 90.0° | 180.0° |
| C2 | N1 | C4 | C5 | 90.0° | 180.0° |
| N1 | C2 | C1 | H30 | 90.0° | 60.0° |
| N1 | C2 | C1 | H33 | 90.0° | 60.0° |
| C2 | N1 | C4 | H35 | 90.0° | 60.0° |
| C2 | N1 | C4 | H36 | 90.0° | 60.0° |
| N1 | C4 | C5 | H35 | 90.0° | 120.0° |
| N1 | C4 | C5 | H36 | 90.0° | 120.0° |
| N1 | C4 | C5 | N2 | 90.0° | 180.0° |
| C4 | N1 | C2 | O1 | 90.0° | 0.0° |
| N1 | C4 | C5 | O2 | 90.0° | 0.0° |
| N1 | C4 | H35 | H36 | 90.0° | 120.0° |
| C4 | C5 | N2 | O2 | 90.0° | 180.0° |
| C4 | C5 | N2 | C7 | 90.0° | 180.0° |
| C5 | C4 | N1 | H34 | 90.0° | 0.0° |
| C5 | C4 | H35 | H36 | 90.0° | 120.0° |
| C4 | C5 | N2 | H37 | 90.0° | 0.0° |
| C5 | N2 | C7 | H37 | 90.0° | 179.9° |
| C5 | N2 | C7 | C8 | 90.0° | 179.9° |
| N2 | C5 | C4 | H35 | 90.0° | 60.0° |
| N2 | C5 | C4 | H36 | 90.0° | 60.0° |
| C5 | N2 | C7 | H38 | 90.0° | 60.0° |
| C5 | N2 | C7 | H39 | 90.0° | 59.9° |
| N2 | C7 | C8 | H38 | 90.0° | 120.0° |
| N2 | C7 | C8 | H39 | 90.0° | 120.1° |
| N2 | C7 | C8 | N3 | 90.0° | 180.0° |
| C7 | N2 | C5 | O2 | 90.0° | 0.1° |
| N2 | C7 | C8 | O3 | 90.0° | 0.0° |
| N2 | C7 | H38 | H39 | 90.0° | 120.0° |
| C7 | C8 | N3 | O3 | 90.0° | 179.9° |
| C7 | C8 | N3 | C15 | 90.0° | 180.0° |
| C8 | C7 | N2 | H37 | 90.0° | 0.0° |
| C8 | C7 | H38 | H39 | 90.0° | 120.0° |
| C7 | C8 | N3 | H40 | 90.0° | 0.0° |
| C8 | N3 | C15 | H40 | 90.0° | 180.0° |
| C8 | N3 | C15 | C18 | 90.0° | 180.0° |
| N3 | C8 | C7 | H38 | 90.0° | 59.9° |
| N3 | C8 | C7 | H39 | 90.0° | 60.0° |
| C8 | N3 | C15 | H41 | 90.0° | 60.0° |
| C8 | N3 | C15 | H42 | 90.0° | 60.0° |
| N3 | C15 | C18 | H41 | 90.0° | 120.0° |
| N3 | C15 | C18 | H42 | 90.0° | 120.0° |
| N3 | C15 | C18 | O4 | 90.0° | 180.0° |
| C15 | N3 | C8 | O3 | 90.0° | 0.0° |
| N3 | C15 | C18 | O5 | 90.0° | 0.1° |
| N3 | C15 | H41 | H42 | 90.0° | 120.0° |
| C15 | C18 | O4 | O5 | 90.0° | 179.9° |
| C18 | C15 | N3 | H40 | 90.0° | 0.1° |
| C18 | C15 | H41 | H42 | 90.0° | 120.0° |
| C15 | C18 | O4 | H43 | 90.0° | 180.0° |
| O4 | C18 | C15 | H41 | 90.0° | 60.0° |
| O4 | C18 | C15 | H42 | 90.0° | 60.0° |
| O1 | C2 | C1 | H30 | 90.0° | 120.0° |
| O1 | C2 | C1 | H33 | 90.0° | 120.0° |
| O1 | C2 | N1 | H34 | 90.0° | 180.0° |
| O2 | C5 | C4 | H35 | 90.0° | 120.0° |
| O2 | C5 | C4 | H36 | 90.0° | 120.0° |
| O2 | C5 | N2 | H37 | 90.0° | 180.0° |
| O3 | C8 | C7 | H38 | 90.0° | 120.0° |
| O3 | C8 | C7 | H39 | 90.0° | 120.1° |
| O3 | C8 | N3 | H40 | 90.0° | 179.9° |
| O5 | C18 | C15 | H41 | 90.0° | 120.0° |
| O5 | C18 | C15 | H42 | 90.0° | 120.0° |
| O5 | C18 | O4 | H43 | 90.0° | 0.1° |
| H34 | N1 | C4 | H35 | 90.0° | 120.0° |
| H34 | N1 | C4 | H36 | 90.0° | 120.0° |
| H37 | N2 | C7 | H38 | 90.0° | 120.0° |
| H37 | N2 | C7 | H39 | 90.0° | 120.0° |
| H40 | N3 | C15 | H41 | 90.0° | 120.0° |
| H40 | N3 | C15 | H42 | 90.0° | 119.9° |
