4KP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C12 | sing | 1.44Å | 1.33Å | |
| O1 | C11 | sing | 1.37Å | 1.41Å | |
| C12 | O2 | sing | 1.44Å | 1.33Å | |
| C6 | C11 | doub | 1.38Å | 1.42Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| I1 | C7 | sing | 2.10Å | 2.11Å | |
| O2 | C10 | sing | 1.37Å | 1.40Å | |
| C7 | C8 | doub | 1.39Å | 1.41Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | S1 | sing | 1.76Å | 1.78Å | |
| S1 | C3 | sing | 1.76Å | 1.77Å | |
| C3 | N4 | doub | 1.31Å | 1.35Å | Aromatic |
| C3 | N5 | sing | 1.37Å | 1.34Å | Aromatic |
| N4 | C4 | sing | 1.36Å | 1.39Å | Aromatic |
| C36 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| N5 | C13 | sing | 1.46Å | 1.45Å | |
| N5 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C1 | doub | 1.40Å | 1.45Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.41Å | Aromatic |
| N1 | C1 | sing | 1.39Å | 1.43Å | |
| C31 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C1 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
| C5 | N3 | doub | 1.33Å | 1.38Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C15 | sing | 1.53Å | 1.55Å | |
| C18 | C16 | sing | 1.53Å | 1.55Å | |
| C15 | C14 | sing | 1.53Å | 1.55Å | |
| C32 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| N2 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | P1 | sing | 1.87Å | 1.86Å | |
| N3 | C2 | sing | 1.32Å | 1.34Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.55Å | |
| C17 | P1 | sing | 1.87Å | 1.85Å | |
| P1 | C22 | sing | 1.87Å | 1.85Å | |
| P1 | C28 | sing | 1.87Å | 1.85Å | |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C19 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| N1 | H2 | sing | 0.97Å | 1.00Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C17 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H28 | sing | 1.08Å | 1.08Å | |
| C31 | H29 | sing | 1.08Å | 1.08Å | |
| C32 | H30 | sing | 1.08Å | 1.08Å | |
| C33 | H31 | sing | 1.08Å | 1.08Å | |
| C35 | H32 | sing | 1.08Å | 1.08Å | |
| C36 | H33 | sing | 1.08Å | 1.08Å | |
| C12 | H34 | sing | 1.09Å | 1.10Å | |
| P1 | H35 | sing | 1.47Å | 28.69Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | O1 | C11 | 107.3° | 105.5° |
| O1 | C12 | O2 | 111.1° | 103.7° |
| O1 | C12 | H6 | 109.1° | 110.6° |
| O1 | C12 | H34 | 109.1° | 110.6° |
| O1 | C11 | C6 | 132.8° | 131.4° |
| O1 | C11 | C10 | 107.1° | 108.6° |
| C12 | O2 | C10 | 108.2° | 105.5° |
| O2 | C12 | H6 | 109.1° | 110.5° |
| O2 | C12 | H34 | 109.1° | 110.6° |
| C11 | C6 | C7 | 120.6° | 120.2° |
| C6 | C11 | C10 | 120.1° | 119.9° |
| C11 | C6 | H4 | 119.7° | 119.9° |
| C6 | C7 | I1 | 118.8° | 120.0° |
| C6 | C7 | C8 | 118.7° | 120.0° |
| C7 | C6 | H4 | 119.7° | 119.9° |
| C11 | C10 | O2 | 106.2° | 108.6° |
| C11 | C10 | C9 | 119.7° | 119.9° |
| I1 | C7 | C8 | 122.5° | 119.9° |
| O2 | C10 | C9 | 134.0° | 131.4° |
| C7 | C8 | C9 | 121.0° | 120.0° |
| C7 | C8 | S1 | 122.7° | 120.0° |
| C10 | C9 | C8 | 119.8° | 120.0° |
| C10 | C9 | H5 | 120.1° | 120.1° |
| C9 | C8 | S1 | 116.2° | 120.0° |
| C8 | C9 | H5 | 120.1° | 120.0° |
| C8 | S1 | C3 | 100.4° | 100.0° |
| S1 | C3 | N4 | 125.7° | 125.2° |
| S1 | C3 | N5 | 123.5° | 125.1° |
| N4 | C3 | N5 | 110.8° | 109.7° |
| C3 | N4 | C4 | 107.6° | 109.4° |
| C3 | N5 | C13 | 126.3° | 126.3° |
| C3 | N5 | C5 | 108.1° | 107.4° |
| N4 | C4 | C1 | 133.7° | 134.5° |
| N4 | C4 | C5 | 107.2° | 107.3° |
| C31 | C36 | C35 | 119.4° | 120.0° |
| C36 | C31 | C32 | 120.1° | 120.0° |
| C36 | C31 | H29 | 119.9° | 120.0° |
| C31 | C36 | H33 | 120.3° | 120.0° |
| C36 | C35 | C34 | 120.9° | 120.0° |
| C36 | C35 | H32 | 119.6° | 120.0° |
| C35 | C36 | H33 | 120.3° | 120.0° |
| C13 | N5 | C5 | 125.6° | 126.3° |
| N5 | C13 | C14 | 110.1° | 109.4° |
| N5 | C13 | H7 | 109.3° | 109.5° |
| N5 | C13 | H8 | 109.3° | 109.5° |
| N5 | C5 | C4 | 106.3° | 106.1° |
| N5 | C5 | N3 | 135.0° | 134.8° |
| C1 | C4 | C5 | 119.1° | 118.1° |
| C4 | C1 | N1 | 121.5° | 120.7° |
| C4 | C1 | N2 | 117.6° | 118.5° |
| C4 | C5 | N3 | 118.7° | 119.1° |
| N1 | C1 | N2 | 120.9° | 120.8° |
| C1 | N1 | H2 | 109.5° | 120.0° |
| C1 | N1 | H3 | 109.5° | 119.9° |
| C31 | C32 | C33 | 120.2° | 120.0° |
| C32 | C31 | H29 | 119.9° | 120.0° |
| C31 | C32 | H30 | 119.9° | 120.0° |
| C13 | C14 | C15 | 112.2° | 109.5° |
| C14 | C13 | H7 | 109.3° | 109.5° |
| C14 | C13 | H8 | 109.3° | 109.4° |
| C13 | C14 | H9 | 108.8° | 109.5° |
| C13 | C14 | H10 | 108.8° | 109.5° |
| C1 | N2 | C2 | 121.6° | 121.2° |
| C5 | N3 | C2 | 120.2° | 120.7° |
| C35 | C34 | C33 | 119.4° | 120.0° |
| C35 | C34 | P1 | 118.0° | 120.0° |
| C34 | C35 | H32 | 119.5° | 120.0° |
| C15 | C18 | C16 | 111.7° | 109.5° |
| C18 | C15 | C14 | 111.9° | 109.5° |
| C18 | C15 | H11 | 108.8° | 109.5° |
| C18 | C15 | H12 | 108.9° | 109.5° |
| C15 | C18 | H17 | 108.9° | 109.4° |
| C15 | C18 | H18 | 108.9° | 109.4° |
| C18 | C16 | C17 | 113.7° | 109.5° |
| C18 | C16 | H13 | 108.4° | 109.5° |
| C18 | C16 | H14 | 108.4° | 109.5° |
| C16 | C18 | H17 | 108.9° | 109.5° |
| C16 | C18 | H18 | 108.9° | 109.4° |
| C15 | C14 | H9 | 108.8° | 109.4° |
| C15 | C14 | H10 | 108.8° | 109.5° |
| C14 | C15 | H11 | 108.9° | 109.5° |
| C14 | C15 | H12 | 108.9° | 109.5° |
| C32 | C33 | C34 | 120.0° | 120.0° |
| C33 | C32 | H30 | 119.9° | 120.0° |
| C32 | C33 | H31 | 120.0° | 120.0° |
| N2 | C2 | N3 | 122.9° | 122.4° |
| N2 | C2 | H1 | 118.5° | 118.8° |
| C33 | C34 | P1 | 122.5° | 120.0° |
| C34 | C33 | H31 | 120.0° | 120.0° |
| C34 | P1 | C17 | 107.6° | 120.0° |
| C34 | P1 | C22 | 105.0° | 120.0° |
| C34 | P1 | C28 | 113.2° | 90.0° |
| C34 | P1 | H35 | 54.3° | 90.0° |
| N3 | C2 | H1 | 118.5° | 118.8° |
| C16 | C17 | P1 | 108.8° | 109.5° |
| C17 | C16 | H13 | 108.4° | 109.5° |
| C17 | C16 | H14 | 108.4° | 109.5° |
| C16 | C17 | H15 | 109.6° | 109.5° |
| C16 | C17 | H16 | 109.6° | 109.5° |
| C17 | P1 | C22 | 110.4° | 120.0° |
| C17 | P1 | C28 | 104.9° | 90.0° |
| P1 | C17 | H15 | 109.6° | 109.5° |
| P1 | C17 | H16 | 109.6° | 109.5° |
| C17 | P1 | H35 | 70.5° | 90.0° |
| C22 | P1 | C28 | 115.6° | 90.0° |
| P1 | C22 | C21 | 122.1° | 120.0° |
| P1 | C22 | C23 | 118.0° | 120.0° |
| C22 | P1 | H35 | 82.5° | 90.0° |
| P1 | C28 | C27 | 122.4° | 120.0° |
| P1 | C28 | C29 | 118.1° | 120.0° |
| C28 | P1 | H35 | 161.4° | 180.0° |
| C22 | C21 | C20 | 119.6° | 120.0° |
| C21 | C22 | C23 | 119.9° | 120.0° |
| C22 | C21 | H21 | 120.2° | 120.0° |
| C21 | C20 | C19 | 120.3° | 120.0° |
| C21 | C20 | H20 | 119.8° | 120.0° |
| C20 | C21 | H21 | 120.2° | 120.0° |
| C22 | C23 | C24 | 120.5° | 119.9° |
| C22 | C23 | H22 | 119.7° | 120.0° |
| C20 | C19 | C24 | 120.1° | 120.0° |
| C20 | C19 | H19 | 120.0° | 120.0° |
| C19 | C20 | H20 | 119.9° | 119.9° |
| C23 | C24 | C19 | 119.6° | 120.0° |
| C24 | C23 | H22 | 119.7° | 120.0° |
| C23 | C24 | H23 | 120.2° | 119.9° |
| C24 | C19 | H19 | 119.9° | 120.0° |
| C19 | C24 | H23 | 120.2° | 120.0° |
| C27 | C28 | C29 | 119.5° | 120.0° |
| C28 | C27 | C26 | 120.0° | 120.0° |
| C28 | C27 | H26 | 120.0° | 120.0° |
| C28 | C29 | C30 | 120.7° | 120.0° |
| C28 | C29 | H27 | 119.7° | 120.0° |
| C27 | C26 | C25 | 120.2° | 120.0° |
| C27 | C26 | H25 | 119.9° | 120.0° |
| C26 | C27 | H26 | 120.0° | 120.0° |
| C29 | C30 | C25 | 119.6° | 120.0° |
| C30 | C29 | H27 | 119.7° | 120.0° |
| C29 | C30 | H28 | 120.3° | 120.0° |
| C26 | C25 | C30 | 120.1° | 120.0° |
| C26 | C25 | H24 | 119.9° | 120.0° |
| C25 | C26 | H25 | 119.9° | 120.0° |
| C30 | C25 | H24 | 120.0° | 120.0° |
| C25 | C30 | H28 | 120.2° | 120.0° |
| H2 | N1 | H3 | 109.5° | 120.0° |
| H6 | C12 | H34 | 109.5° | 110.6° |
| H7 | C13 | H8 | 109.5° | 109.5° |
| H9 | C14 | H10 | 109.5° | 109.5° |
| H11 | C15 | H12 | 109.5° | 109.4° |
| H13 | C16 | H14 | 109.4° | 109.4° |
| H15 | C17 | H16 | 109.5° | 109.4° |
| H17 | C18 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C12 | O2 | H6 | 120.3° | 118.6° |
| O1 | C12 | O2 | H34 | 120.2° | 118.6° |
| C12 | O1 | C11 | C6 | 179.9° | 162.7° |
| C12 | O1 | C11 | C10 | 0.1° | 17.3° |
| O1 | C12 | O2 | C10 | 0.0° | 27.1° |
| O1 | C12 | H6 | H34 | 119.2° | 122.8° |
| C11 | O1 | C12 | O2 | 0.1° | 27.1° |
| O1 | C11 | C6 | C10 | 179.8° | 180.0° |
| O1 | C11 | C6 | C7 | 179.8° | 180.0° |
| O1 | C11 | C10 | O2 | 0.1° | 0.0° |
| O1 | C11 | C10 | C9 | 180.0° | 180.0° |
| O1 | C11 | C6 | H4 | 0.2° | 0.3° |
| C11 | O1 | C12 | H6 | 120.2° | 91.4° |
| C11 | O1 | C12 | H34 | 120.3° | 145.7° |
| C12 | O2 | C10 | C11 | 0.1° | 17.3° |
| C12 | O2 | C10 | C9 | 179.9° | 162.7° |
| O2 | C12 | H6 | H34 | 119.2° | 122.9° |
| C11 | C6 | C7 | H4 | 180.0° | 179.7° |
| C11 | C6 | C7 | I1 | 179.8° | 180.0° |
| C6 | C11 | C10 | O2 | 179.9° | 179.9° |
| C11 | C6 | C7 | C8 | 0.2° | 0.0° |
| C6 | C11 | C10 | C9 | 0.2° | 0.0° |
| C7 | C6 | C11 | C10 | 0.0° | 0.0° |
| C6 | C7 | I1 | C8 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.6° | 0.0° |
| C6 | C7 | C8 | S1 | 179.4° | 180.0° |
| C11 | C10 | O2 | C9 | 179.9° | 180.0° |
| C11 | C10 | C9 | C8 | 0.5° | 0.0° |
| C10 | C11 | C6 | H4 | 180.0° | 179.7° |
| C11 | C10 | C9 | H5 | 179.5° | 180.0° |
| I1 | C7 | C8 | C9 | 179.5° | 180.0° |
| I1 | C7 | C8 | S1 | 0.6° | 0.0° |
| I1 | C7 | C6 | H4 | 0.2° | 0.3° |
| O2 | C10 | C9 | C8 | 179.6° | 179.9° |
| O2 | C10 | C9 | H5 | 0.4° | 0.1° |
| C10 | O2 | C12 | H6 | 120.3° | 91.4° |
| C10 | O2 | C12 | H34 | 120.2° | 145.7° |
| C7 | C8 | C9 | C10 | 0.7° | 0.0° |
| C7 | C8 | C9 | S1 | 178.9° | 180.0° |
| C7 | C8 | S1 | C3 | 129.0° | 84.6° |
| C8 | C7 | C6 | H4 | 179.8° | 179.7° |
| C7 | C8 | C9 | H5 | 179.3° | 180.0° |
| C10 | C9 | C8 | H5 | 180.0° | 180.0° |
| C10 | C9 | C8 | S1 | 179.7° | 180.0° |
| C9 | C8 | S1 | C3 | 49.9° | 95.3° |
| C8 | S1 | C3 | N4 | 102.7° | 6.2° |
| C8 | S1 | C3 | N5 | 75.0° | 173.8° |
| S1 | C8 | C9 | H5 | 0.4° | 0.0° |
| S1 | C3 | N4 | N5 | 178.0° | 179.9° |
| S1 | C3 | N4 | C4 | 179.1° | 180.0° |
| S1 | C3 | N5 | C13 | 2.0° | 0.0° |
| S1 | C3 | N5 | C5 | 179.1° | 180.0° |
| N4 | C3 | N5 | C13 | 179.9° | 180.0° |
| N4 | C3 | N5 | C5 | 1.1° | 0.0° |
| C3 | N4 | C4 | C1 | 179.5° | 180.0° |
| C3 | N4 | C4 | C5 | 0.6° | 0.1° |
| N5 | C3 | N4 | C4 | 1.1° | 0.1° |
| C3 | N5 | C13 | C5 | 178.6° | 180.0° |
| C3 | N5 | C5 | C4 | 0.7° | 0.0° |
| C3 | N5 | C13 | C14 | 125.3° | 90.0° |
| C3 | N5 | C5 | N3 | 179.4° | 180.0° |
| C3 | N5 | C13 | H7 | 5.3° | 150.0° |
| C3 | N5 | C13 | H8 | 114.6° | 29.9° |
| N4 | C4 | C5 | N5 | 0.0° | 0.0° |
| N4 | C4 | C1 | C5 | 179.8° | 179.9° |
| N4 | C4 | C1 | N1 | 0.2° | 0.2° |
| N4 | C4 | C1 | N2 | 179.9° | 179.9° |
| N4 | C4 | C5 | N3 | 180.0° | 179.9° |
| C31 | C36 | C35 | H33 | 180.0° | 179.5° |
| C36 | C31 | C32 | H29 | 180.0° | 179.7° |
| C31 | C36 | C35 | C34 | 0.0° | 0.5° |
| C36 | C31 | C32 | C33 | 0.0° | 0.3° |
| C36 | C31 | C32 | H30 | 179.9° | 179.7° |
| C31 | C36 | C35 | H32 | 180.0° | 179.7° |
| C35 | C36 | C31 | C32 | 0.0° | 0.5° |
| C36 | C35 | C34 | H32 | 180.0° | 179.8° |
| C36 | C35 | C34 | C33 | 0.2° | 0.2° |
| C36 | C35 | C34 | P1 | 180.0° | 179.7° |
| C35 | C36 | C31 | H29 | 179.9° | 179.7° |
| C13 | N5 | C5 | C4 | 179.5° | 180.0° |
| N5 | C13 | C14 | H7 | 120.1° | 120.1° |
| N5 | C13 | C14 | H8 | 120.1° | 120.0° |
| C13 | N5 | C5 | N3 | 0.6° | 0.0° |
| N5 | C13 | C14 | C15 | 124.0° | 180.0° |
| N5 | C13 | H7 | H8 | 119.8° | 120.0° |
| N5 | C13 | C14 | H9 | 115.6° | 60.0° |
| N5 | C13 | C14 | H10 | 3.6° | 60.0° |
| N5 | C5 | C4 | C1 | 179.8° | 180.0° |
| N5 | C5 | C4 | N3 | 180.0° | 180.0° |
| C5 | N5 | C13 | C14 | 53.3° | 90.0° |
| N5 | C5 | N3 | C2 | 179.7° | 179.7° |
| C5 | N5 | C13 | H7 | 173.3° | 30.0° |
| C5 | N5 | C13 | H8 | 66.8° | 150.1° |
| C4 | C1 | N1 | N2 | 179.9° | 179.7° |
| C1 | C4 | C5 | N3 | 0.1° | 0.0° |
| C4 | C1 | N2 | C2 | 0.0° | 0.3° |
| C4 | C1 | N1 | H2 | 179.9° | 179.7° |
| C4 | C1 | N1 | H3 | 60.1° | 0.4° |
| C5 | C4 | C1 | N1 | 180.0° | 179.7° |
| C5 | C4 | C1 | N2 | 0.0° | 0.0° |
| C4 | C5 | N3 | C2 | 0.2° | 0.3° |
| N1 | C1 | N2 | C2 | 180.0° | 180.0° |
| C1 | N1 | H2 | H3 | 120.0° | 179.9° |
| C31 | C32 | C33 | H30 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 0.2° | 0.0° |
| C31 | C32 | C33 | H31 | 179.8° | 180.0° |
| C32 | C31 | C36 | H33 | 180.0° | 180.0° |
| C13 | C14 | C15 | C18 | 74.0° | NaN° |
| C13 | C14 | C15 | H9 | 120.4° | 120.0° |
| C13 | C14 | C15 | H10 | 120.4° | 120.0° |
| C14 | C13 | H7 | H8 | 119.7° | 120.0° |
| C13 | C14 | H9 | H10 | 118.8° | 120.0° |
| C13 | C14 | C15 | H11 | 46.3° | 60.0° |
| C13 | C14 | C15 | H12 | 165.6° | 60.0° |
| C1 | N2 | C2 | N3 | 0.1° | 0.6° |
| C1 | N2 | C2 | H1 | 179.9° | 180.0° |
| N2 | C1 | N1 | H2 | 0.0° | 0.0° |
| N2 | C1 | N1 | H3 | 120.0° | 180.0° |
| C5 | N3 | C2 | N2 | 0.2° | 0.6° |
| C5 | N3 | C2 | H1 | 179.8° | 180.0° |
| C35 | C34 | C33 | C32 | 0.2° | 0.0° |
| C35 | C34 | C33 | P1 | 179.9° | 180.0° |
| C35 | C34 | P1 | C17 | 58.9° | 34.0° |
| C35 | C34 | P1 | C22 | 58.7° | 146.1° |
| C35 | C34 | P1 | C28 | 174.3° | 56.1° |
| C35 | C34 | C33 | H31 | 179.7° | 180.0° |
| C34 | C35 | C36 | H33 | 180.0° | 180.0° |
| C35 | C34 | P1 | H35 | 10.2° | 123.9° |
| C15 | C18 | C16 | H17 | 120.4° | 120.0° |
| C15 | C18 | C16 | H18 | 120.3° | 119.9° |
| C18 | C15 | C14 | H11 | 120.3° | 120.0° |
| C18 | C15 | C14 | H12 | 120.4° | 120.0° |
| C15 | C18 | C16 | C17 | 132.2° | 180.0° |
| C18 | C15 | C14 | H9 | 46.4° | 60.0° |
| C18 | C15 | C14 | H10 | 165.5° | 60.0° |
| C18 | C15 | H11 | H12 | 118.9° | 120.0° |
| C15 | C18 | C16 | H13 | 11.6° | 60.0° |
| C15 | C18 | C16 | H14 | 107.2° | 60.0° |
| C15 | C18 | H17 | H18 | 119.0° | 120.0° |
| C16 | C18 | C15 | C14 | 92.6° | 180.0° |
| C18 | C16 | C17 | H13 | 120.7° | 120.0° |
| C18 | C16 | C17 | H14 | 120.6° | 120.0° |
| C18 | C16 | C17 | P1 | 137.9° | 180.0° |
| C16 | C18 | C15 | H11 | 147.1° | 60.0° |
| C16 | C18 | C15 | H12 | 27.8° | 60.0° |
| C18 | C16 | H13 | H14 | 118.1° | 119.9° |
| C18 | C16 | C17 | H15 | 18.0° | 60.0° |
| C18 | C16 | C17 | H16 | 102.2° | 60.0° |
| C16 | C18 | H17 | H18 | 119.0° | 120.0° |
| C15 | C14 | C13 | H7 | 3.9° | 60.0° |
| C15 | C14 | C13 | H8 | 115.9° | 60.0° |
| C15 | C14 | H9 | H10 | 118.7° | 120.0° |
| C14 | C15 | H11 | H12 | 118.9° | 120.0° |
| C14 | C15 | C18 | H17 | 147.1° | 60.0° |
| C14 | C15 | C18 | H18 | 27.8° | 60.0° |
| C32 | C33 | C34 | H31 | 180.0° | 180.0° |
| C32 | C33 | C34 | P1 | 179.9° | 180.0° |
| C33 | C32 | C31 | H29 | 180.0° | 180.0° |
| N2 | C2 | N3 | H1 | 180.0° | 179.4° |
| C33 | C34 | P1 | C17 | 121.2° | 146.0° |
| C33 | C34 | P1 | C22 | 121.2° | 33.9° |
| C33 | C34 | P1 | C28 | 5.8° | 124.0° |
| C34 | C33 | C32 | H30 | 179.8° | 180.0° |
| C33 | C34 | C35 | H32 | 179.8° | 180.0° |
| C33 | C34 | P1 | H35 | 169.9° | 56.0° |
| C34 | P1 | C17 | C16 | 46.2° | 2.6° |
| C34 | P1 | C17 | C22 | 114.0° | 180.0° |
| C34 | P1 | C17 | C28 | 120.8° | 90.0° |
| C34 | P1 | C17 | H35 | 40.3° | 90.0° |
| C34 | P1 | C22 | C28 | 125.5° | 90.0° |
| C34 | P1 | C22 | H35 | 49.8° | 90.0° |
| C34 | P1 | C28 | H35 | 44.2° | 29.2° |
| C34 | P1 | C22 | C21 | 134.7° | 1.9° |
| C34 | P1 | C22 | C23 | 45.7° | 178.0° |
| C34 | P1 | C28 | C27 | 40.3° | 76.5° |
| C34 | P1 | C28 | C29 | 140.8° | 103.5° |
| C34 | P1 | C17 | H15 | 73.7° | 122.6° |
| C34 | P1 | C17 | H16 | 166.1° | 117.5° |
| P1 | C34 | C33 | H31 | 0.1° | 0.0° |
| P1 | C34 | C35 | H32 | 0.1° | 0.1° |
| C16 | C17 | P1 | H15 | 119.9° | 120.0° |
| C16 | C17 | P1 | H16 | 119.9° | 120.0° |
| C16 | C17 | P1 | C22 | 160.2° | 177.4° |
| C16 | C17 | P1 | C28 | 74.6° | 92.6° |
| C17 | C16 | H13 | H14 | 118.1° | 120.0° |
| C16 | C17 | H15 | H16 | 120.3° | 120.0° |
| C17 | C16 | C18 | H17 | 107.5° | 60.0° |
| C17 | C16 | C18 | H18 | 11.9° | 60.0° |
| C16 | C17 | P1 | H35 | 86.5° | 87.4° |
| C17 | P1 | C22 | C28 | 118.8° | 90.0° |
| C17 | P1 | C22 | H35 | 65.9° | 90.0° |
| C17 | P1 | C28 | H35 | 72.9° | 149.3° |
| C17 | P1 | C22 | C21 | 19.0° | 178.0° |
| C17 | P1 | C22 | C23 | 161.4° | 2.0° |
| C17 | P1 | C28 | C27 | 76.7° | 163.5° |
| C17 | P1 | C28 | C29 | 102.2° | 16.5° |
| P1 | C17 | C16 | H13 | 101.5° | 60.0° |
| P1 | C17 | C16 | H14 | 17.3° | 60.0° |
| P1 | C17 | H15 | H16 | 120.3° | 120.0° |
| C22 | P1 | C28 | H35 | 165.4° | 90.7° |
| P1 | C22 | C21 | C23 | 179.5° | 179.9° |
| P1 | C22 | C21 | C20 | 179.5° | 180.0° |
| P1 | C22 | C23 | C24 | 179.8° | 180.0° |
| C22 | P1 | C28 | C27 | 161.5° | 43.4° |
| C22 | P1 | C28 | C29 | 19.6° | 136.5° |
| C22 | P1 | C17 | H15 | 40.3° | 57.4° |
| C22 | P1 | C17 | H16 | 79.9° | 62.6° |
| P1 | C22 | C21 | H21 | 0.5° | 0.0° |
| P1 | C22 | C23 | H22 | 0.2° | 0.0° |
| C28 | P1 | C22 | C21 | 99.8° | 91.9° |
| C28 | P1 | C22 | C23 | 79.8° | 88.0° |
| P1 | C28 | C27 | C29 | 178.9° | 180.0° |
| P1 | C28 | C27 | C26 | 179.6° | 180.0° |
| P1 | C28 | C29 | C30 | 179.6° | 179.8° |
| C28 | P1 | C17 | H15 | 165.5° | 147.4° |
| C28 | P1 | C17 | H16 | 45.3° | 27.5° |
| P1 | C28 | C27 | H26 | 0.4° | 0.0° |
| P1 | C28 | C29 | H27 | 0.4° | 0.0° |
| C22 | C21 | C20 | H21 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.5° | 0.1° |
| C21 | C22 | C23 | C24 | 0.3° | 0.0° |
| C22 | C21 | C20 | H20 | 179.5° | 179.9° |
| C21 | C22 | C23 | H22 | 179.7° | 180.0° |
| C21 | C22 | P1 | H35 | 84.9° | 88.0° |
| C20 | C21 | C22 | C23 | 0.1° | 0.0° |
| C21 | C20 | C19 | H20 | 180.0° | 179.9° |
| C21 | C20 | C19 | C24 | 0.5° | 0.1° |
| C21 | C20 | C19 | H19 | 179.5° | 179.8° |
| C22 | C23 | C24 | H22 | 180.0° | 180.0° |
| C22 | C23 | C24 | C19 | 0.2° | 0.0° |
| C23 | C22 | C21 | H21 | 179.9° | 180.0° |
| C22 | C23 | C24 | H23 | 179.8° | 179.7° |
| C23 | C22 | P1 | H35 | 95.6° | 92.0° |
| C20 | C19 | C24 | C23 | 0.2° | 0.0° |
| C20 | C19 | C24 | H19 | 180.0° | 179.8° |
| C19 | C20 | C21 | H21 | 179.5° | 179.9° |
| C20 | C19 | C24 | H23 | 179.8° | 179.7° |
| C23 | C24 | C19 | H23 | 180.0° | 179.7° |
| C23 | C24 | C19 | H19 | 179.8° | 179.8° |
| C24 | C19 | C20 | H20 | 179.5° | 179.9° |
| C19 | C24 | C23 | H22 | 179.8° | 180.0° |
| C28 | C27 | C26 | H26 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.7° | 0.3° |
| C28 | C27 | C26 | C25 | 0.3° | 0.0° |
| C28 | C27 | C26 | H25 | 179.7° | 179.9° |
| C27 | C28 | C29 | H27 | 179.3° | 180.0° |
| C27 | C28 | P1 | H35 | 3.9° | 47.3° |
| C29 | C28 | C27 | C26 | 0.7° | 0.0° |
| C28 | C29 | C30 | H27 | 180.0° | 179.8° |
| C28 | C29 | C30 | C25 | 0.3° | 0.5° |
| C29 | C28 | C27 | H26 | 179.3° | 180.0° |
| C28 | C29 | C30 | H28 | 179.7° | 180.0° |
| C29 | C28 | P1 | H35 | 175.1° | 132.8° |
| C27 | C26 | C25 | H25 | 180.0° | 180.0° |
| C27 | C26 | C25 | C30 | 0.1° | 0.3° |
| C27 | C26 | C25 | H24 | 179.9° | 180.0° |
| C29 | C30 | C25 | C26 | 0.1° | 0.5° |
| C29 | C30 | C25 | H28 | 180.0° | 179.5° |
| C29 | C30 | C25 | H24 | 179.9° | 179.8° |
| C26 | C25 | C30 | H24 | 180.0° | 179.7° |
| C25 | C26 | C27 | H26 | 179.7° | 180.0° |
| C26 | C25 | C30 | H28 | 179.9° | 180.0° |
| C30 | C25 | C26 | H25 | 179.9° | 179.7° |
| C25 | C30 | C29 | H27 | 179.7° | 179.7° |
| H7 | C13 | C14 | H9 | 124.3° | 179.9° |
| H7 | C13 | C14 | H10 | 116.5° | 60.0° |
| H8 | C13 | C14 | H9 | 4.5° | 60.0° |
| H8 | C13 | C14 | H10 | 123.7° | 180.0° |
| H9 | C14 | C15 | H11 | 166.7° | 180.0° |
| H9 | C14 | C15 | H12 | 74.0° | 60.1° |
| H10 | C14 | C15 | H11 | 74.1° | 60.0° |
| H10 | C14 | C15 | H12 | 45.2° | 180.0° |
| H11 | C15 | C18 | H17 | 26.7° | 180.0° |
| H11 | C15 | C18 | H18 | 92.6° | 60.0° |
| H12 | C15 | C18 | H17 | 92.5° | 60.0° |
| H12 | C15 | C18 | H18 | 148.1° | 179.9° |
| H13 | C16 | C17 | H15 | 138.7° | 60.1° |
| H13 | C16 | C17 | H16 | 18.4° | 180.0° |
| H13 | C16 | C18 | H17 | 131.9° | 60.0° |
| H13 | C16 | C18 | H18 | 108.8° | 179.9° |
| H14 | C16 | C17 | H15 | 102.6° | 180.0° |
| H14 | C16 | C17 | H16 | 137.1° | 60.0° |
| H14 | C16 | C18 | H17 | 13.2° | 179.9° |
| H14 | C16 | C18 | H18 | 132.5° | 60.0° |
| H15 | C17 | P1 | H35 | 33.4° | 32.6° |
| H16 | C17 | P1 | H35 | 153.6° | 152.6° |
| H19 | C19 | C20 | H20 | 0.5° | 0.1° |
| H19 | C19 | C24 | H23 | 0.2° | 0.1° |
| H20 | C20 | C21 | H21 | 0.5° | 0.1° |
| H22 | C23 | C24 | H23 | 0.2° | 0.3° |
| H24 | C25 | C26 | H25 | 0.1° | 0.0° |
| H24 | C25 | C30 | H28 | 0.1° | 0.3° |
| H25 | C26 | C27 | H26 | 0.3° | 0.0° |
| H27 | C29 | C30 | H28 | 0.3° | 0.2° |
| H29 | C31 | C32 | H30 | 0.0° | 0.0° |
| H29 | C31 | C36 | H33 | 0.1° | 0.3° |
| H30 | C32 | C33 | H31 | 0.2° | 0.0° |
| H32 | C35 | C36 | H33 | 0.0° | 0.2° |
