PRD_001020
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.47Å | 1.49Å | |
| N1 | C2 | sing | 1.47Å | 1.48Å | |
| N1 | H1 | sing | 1.01Å | 1.00Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C4 | sing | 1.51Å | 1.50Å | |
| C2 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C4 | O1 | doub | 1.21Å | 1.22Å | |
| N2 | C5 | sing | 1.46Å | 1.46Å | |
| N2 | H9 | sing | 0.97Å | 1.00Å | |
| C7 | C5 | sing | 1.53Å | 1.55Å | |
| C5 | C6 | sing | 1.51Å | 1.49Å | |
| C5 | H10 | sing | 1.09Å | 1.10Å | |
| O2 | C6 | doub | 1.21Å | 1.21Å | |
| C12 | C7 | sing | 1.53Å | 1.54Å | |
| C8 | C7 | sing | 1.53Å | 1.55Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | C8 | sing | 1.53Å | 1.54Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C12 | H20 | sing | 1.09Å | 1.10Å | |
| C12 | H21 | sing | 1.09Å | 1.10Å | |
| N3 | C13 | sing | 1.47Å | 1.45Å | |
| N3 | C17 | sing | 1.47Å | 1.47Å | |
| C13 | C14 | sing | 1.51Å | 1.49Å | |
| C13 | C15 | sing | 1.54Å | 1.55Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C14 | O3 | doub | 1.21Å | 1.23Å | |
| C15 | C16 | sing | 1.55Å | 1.55Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.55Å | 1.55Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C16 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| C17 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C20 | sing | 1.39Å | 1.40Å | Aromatic |
| N5 | N6 | doub | 1.28Å | 1.28Å | Aromatic |
| N5 | C19 | sing | 1.32Å | 1.34Å | Aromatic |
| N6 | S1 | sing | 1.70Å | 1.71Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | sing | 1.48Å | 1.48Å | |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| S1 | C18 | sing | 1.72Å | 1.72Å | Aromatic |
| C18 | N4 | sing | 1.39Å | 1.38Å | |
| N4 | H29 | sing | 0.97Å | 1.00Å | |
| C21 | H30 | sing | 1.08Å | 1.08Å | |
| C22 | H31 | sing | 1.08Å | 1.08Å | |
| C23 | H32 | sing | 1.08Å | 1.08Å | |
| C24 | H33 | sing | 1.08Å | 1.08Å | |
| C25 | H34 | sing | 1.08Å | 1.08Å | |
| C4 | N2 | sing | 1.35Å | 1.34Å | |
| C6 | N3 | sing | 1.35Å | 1.34Å | |
| C14 | N4 | sing | 1.35Å | 1.35Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C2 | 113.1° | 111.0° |
| C1 | N1 | H1 | 108.6° | 111.1° |
| N1 | C1 | H2 | 109.5° | 109.5° |
| N1 | C1 | H3 | 109.4° | 109.4° |
| N1 | C1 | H4 | 109.5° | 109.5° |
| C2 | N1 | H1 | 108.6° | 111.0° |
| N1 | C2 | C3 | 111.7° | 109.5° |
| N1 | C2 | C4 | 108.6° | 109.5° |
| N1 | C2 | H5 | 108.8° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H4 | 109.5° | 109.5° |
| H3 | C1 | H4 | 109.5° | 109.5° |
| C3 | C2 | C4 | 110.8° | 109.5° |
| C3 | C2 | H5 | 108.2° | 109.5° |
| C2 | C3 | H6 | 109.5° | 109.4° |
| C2 | C3 | H7 | 109.5° | 109.5° |
| C2 | C3 | H8 | 109.5° | 109.5° |
| C4 | C2 | H5 | 108.6° | 109.5° |
| C2 | C4 | O1 | 120.3° | 120.0° |
| C2 | C4 | N2 | 117.1° | 120.0° |
| H6 | C3 | H7 | 109.5° | 109.5° |
| H6 | C3 | H8 | 109.5° | 109.5° |
| H7 | C3 | H8 | 109.5° | 109.5° |
| O1 | C4 | N2 | 122.6° | 120.0° |
| C5 | N2 | H9 | 117.2° | 120.0° |
| N2 | C5 | C7 | 108.7° | 109.5° |
| N2 | C5 | C6 | 109.0° | 109.5° |
| N2 | C5 | H10 | 111.3° | 109.4° |
| C5 | N2 | C4 | 125.5° | 120.0° |
| H9 | N2 | C4 | 117.3° | 120.0° |
| C7 | C5 | C6 | 106.7° | 109.5° |
| C7 | C5 | H10 | 110.1° | 109.5° |
| C5 | C7 | C12 | 111.1° | 109.5° |
| C5 | C7 | C8 | 111.5° | 109.5° |
| C5 | C7 | H11 | 107.6° | 109.4° |
| C6 | C5 | H10 | 110.9° | 109.4° |
| C5 | C6 | O2 | 119.6° | 120.0° |
| C5 | C6 | N3 | 120.8° | 120.0° |
| O2 | C6 | N3 | 119.5° | 120.0° |
| C12 | C7 | C8 | 111.1° | 109.5° |
| C12 | C7 | H11 | 107.7° | 109.5° |
| C7 | C12 | C11 | 111.3° | 109.5° |
| C7 | C12 | H20 | 109.0° | 109.4° |
| C7 | C12 | H21 | 109.0° | 109.5° |
| C8 | C7 | H11 | 107.6° | 109.4° |
| C7 | C8 | C9 | 112.1° | 109.5° |
| C7 | C8 | H12 | 108.8° | 109.4° |
| C7 | C8 | H13 | 108.8° | 109.5° |
| C9 | C8 | H12 | 108.8° | 109.5° |
| C9 | C8 | H13 | 108.8° | 109.5° |
| C8 | C9 | C10 | 111.0° | 109.5° |
| C8 | C9 | H14 | 109.1° | 109.4° |
| C8 | C9 | H15 | 109.1° | 109.4° |
| H12 | C8 | H13 | 109.5° | 109.5° |
| C10 | C9 | H14 | 109.1° | 109.5° |
| C10 | C9 | H15 | 109.1° | 109.4° |
| C9 | C10 | C11 | 111.7° | 109.5° |
| C9 | C10 | H16 | 108.9° | 109.4° |
| C9 | C10 | H17 | 108.9° | 109.5° |
| H14 | C9 | H15 | 109.5° | 109.6° |
| C11 | C10 | H16 | 108.9° | 109.5° |
| C11 | C10 | H17 | 108.9° | 109.5° |
| C10 | C11 | C12 | 112.1° | 109.5° |
| C10 | C11 | H18 | 108.8° | 109.5° |
| C10 | C11 | H19 | 108.8° | 109.5° |
| H16 | C10 | H17 | 109.5° | 109.4° |
| C12 | C11 | H18 | 108.8° | 109.4° |
| C12 | C11 | H19 | 108.8° | 109.5° |
| C11 | C12 | H20 | 109.0° | 109.5° |
| C11 | C12 | H21 | 109.0° | 109.5° |
| H18 | C11 | H19 | 109.4° | 109.5° |
| H20 | C12 | H21 | 109.5° | 109.5° |
| C13 | N3 | C17 | 109.4° | 108.6° |
| N3 | C13 | C14 | 113.6° | 109.8° |
| N3 | C13 | C15 | 108.1° | 107.3° |
| N3 | C13 | H22 | 110.2° | 109.8° |
| C13 | N3 | C6 | 122.4° | 125.7° |
| N3 | C17 | C16 | 106.2° | 104.7° |
| N3 | C17 | H27 | 110.3° | 110.4° |
| N3 | C17 | H28 | 110.3° | 110.3° |
| C17 | N3 | C6 | 128.2° | 125.7° |
| C14 | C13 | C15 | 106.2° | 109.9° |
| C14 | C13 | H22 | 109.6° | 109.9° |
| C13 | C14 | O3 | 121.3° | 120.0° |
| C13 | C14 | N4 | 114.5° | 119.9° |
| C15 | C13 | H22 | 108.9° | 110.0° |
| C13 | C15 | C16 | 104.7° | 102.9° |
| C13 | C15 | H23 | 110.6° | 110.7° |
| C13 | C15 | H24 | 110.7° | 110.7° |
| O3 | C14 | N4 | 124.2° | 120.0° |
| C16 | C15 | H23 | 110.7° | 110.7° |
| C16 | C15 | H24 | 110.7° | 110.7° |
| C15 | C16 | C17 | 103.1° | 101.5° |
| C15 | C16 | H25 | 111.0° | 111.0° |
| C15 | C16 | H26 | 111.0° | 111.0° |
| H23 | C15 | H24 | 109.5° | 110.8° |
| C17 | C16 | H25 | 111.0° | 111.2° |
| C17 | C16 | H26 | 111.1° | 111.0° |
| C16 | C17 | H27 | 110.3° | 110.5° |
| C16 | C17 | H28 | 110.3° | 110.4° |
| H25 | C16 | H26 | 109.5° | 110.8° |
| H27 | C17 | H28 | 109.4° | 110.4° |
| C25 | C24 | C23 | 119.4° | 120.2° |
| C24 | C25 | C20 | 120.2° | 119.8° |
| C25 | C24 | H33 | 120.3° | 119.9° |
| C24 | C25 | H34 | 119.9° | 120.1° |
| C24 | C23 | C22 | 120.6° | 120.2° |
| C24 | C23 | H32 | 119.7° | 119.9° |
| C23 | C24 | H33 | 120.3° | 119.9° |
| C25 | C20 | C19 | 118.6° | 120.1° |
| C25 | C20 | C21 | 120.2° | 119.8° |
| C20 | C25 | H34 | 119.9° | 120.1° |
| N6 | N5 | C19 | 118.2° | 118.9° |
| N5 | N6 | S1 | 108.0° | 107.1° |
| N5 | C19 | C20 | 120.4° | 122.6° |
| N5 | C19 | C18 | 114.1° | 114.8° |
| N6 | S1 | C18 | 94.1° | 94.9° |
| C23 | C22 | C21 | 120.6° | 120.1° |
| C23 | C22 | H31 | 119.7° | 120.0° |
| C22 | C23 | H32 | 119.7° | 119.9° |
| C19 | C20 | C21 | 121.3° | 120.1° |
| C20 | C19 | C18 | 125.5° | 122.6° |
| C20 | C21 | C22 | 119.1° | 119.9° |
| C20 | C21 | H30 | 120.4° | 120.1° |
| C19 | C18 | S1 | 105.7° | 104.3° |
| C19 | C18 | N4 | 134.5° | 127.9° |
| C22 | C21 | H30 | 120.5° | 120.0° |
| C21 | C22 | H31 | 119.7° | 119.9° |
| S1 | C18 | N4 | 119.6° | 127.8° |
| C18 | N4 | H29 | 118.8° | 120.0° |
| C18 | N4 | C14 | 122.3° | 120.0° |
| H29 | N4 | C14 | 118.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C2 | H1 | 120.6° | 124.0° |
| N1 | C1 | H2 | H3 | 120.0° | 120.0° |
| N1 | C1 | H2 | H4 | 120.0° | 120.1° |
| N1 | C1 | H3 | H4 | 120.0° | 120.0° |
| C1 | N1 | C2 | C3 | 162.7° | 85.0° |
| C1 | N1 | C2 | C4 | 74.8° | 155.0° |
| C1 | N1 | C2 | H5 | 43.3° | 35.0° |
| C2 | N1 | C1 | H2 | 180.0° | 60.0° |
| C2 | N1 | C1 | H3 | 60.0° | 180.0° |
| C2 | N1 | C1 | H4 | 60.0° | 60.0° |
| N1 | C2 | C3 | C4 | 121.3° | 120.0° |
| N1 | C2 | C3 | H5 | 119.8° | 120.0° |
| N1 | C2 | C4 | H5 | 118.2° | 120.0° |
| N1 | C2 | C3 | H6 | 180.0° | 60.0° |
| N1 | C2 | C3 | H7 | 60.0° | 180.0° |
| N1 | C2 | C3 | H8 | 60.0° | 60.0° |
| N1 | C2 | C4 | O1 | 16.1° | 0.0° |
| N1 | C2 | C4 | N2 | 162.2° | 180.0° |
| H1 | N1 | C1 | H2 | 59.5° | 176.0° |
| H1 | N1 | C1 | H3 | 60.6° | 56.1° |
| H1 | N1 | C1 | H4 | 179.5° | 63.9° |
| H1 | N1 | C2 | C3 | 42.1° | 39.0° |
| H1 | N1 | C2 | C4 | 164.7° | 81.0° |
| H1 | N1 | C2 | H5 | 77.3° | 159.0° |
| H2 | C1 | H3 | H4 | 120.0° | 120.0° |
| C3 | C2 | C4 | H5 | 118.7° | 120.0° |
| C2 | C3 | H6 | H7 | 120.0° | 120.0° |
| C2 | C3 | H6 | H8 | 120.0° | 120.0° |
| C2 | C3 | H7 | H8 | 120.0° | 120.0° |
| C3 | C2 | C4 | O1 | 106.9° | 120.0° |
| C3 | C2 | C4 | N2 | 74.8° | 60.0° |
| C4 | C2 | C3 | H6 | 58.7° | 60.0° |
| C4 | C2 | C3 | H7 | 178.7° | 60.0° |
| C4 | C2 | C3 | H8 | 61.3° | 180.0° |
| C2 | C4 | O1 | N2 | 178.2° | 180.0° |
| C2 | C4 | N2 | C5 | 176.3° | 180.0° |
| C2 | C4 | N2 | H9 | 3.7° | 0.0° |
| H5 | C2 | C3 | H6 | 60.2° | 180.0° |
| H5 | C2 | C3 | H7 | 59.8° | 60.0° |
| H5 | C2 | C3 | H8 | 179.8° | 60.0° |
| H5 | C2 | C4 | O1 | 134.3° | 120.0° |
| H5 | C2 | C4 | N2 | 44.0° | 60.0° |
| H6 | C3 | H7 | H8 | 120.0° | 120.1° |
| O1 | C4 | N2 | C5 | 1.9° | 0.0° |
| O1 | C4 | N2 | H9 | 178.1° | 180.0° |
| C5 | N2 | H9 | C4 | 180.0° | 180.0° |
| N2 | C5 | C7 | C6 | 117.4° | 120.1° |
| N2 | C5 | C7 | H10 | 122.2° | 120.0° |
| N2 | C5 | C6 | H10 | 122.8° | 119.9° |
| N2 | C5 | C6 | O2 | 47.4° | 39.9° |
| N2 | C5 | C7 | C12 | 175.2° | 178.0° |
| N2 | C5 | C7 | C8 | 50.7° | 58.0° |
| N2 | C5 | C7 | H11 | 67.1° | 62.0° |
| N2 | C5 | C6 | N3 | 135.7° | 140.2° |
| H9 | N2 | C5 | C7 | 64.6° | 95.0° |
| H9 | N2 | C5 | C6 | 51.3° | 25.0° |
| H9 | N2 | C5 | H10 | 173.9° | 145.0° |
| C7 | C5 | C6 | H10 | 119.9° | 120.0° |
| C7 | C5 | C6 | O2 | 69.8° | 80.2° |
| C5 | C7 | C12 | C8 | 124.8° | 120.0° |
| C5 | C7 | C12 | H11 | 117.6° | 120.0° |
| C5 | C7 | C8 | H11 | 117.8° | 119.9° |
| C5 | C7 | C8 | C9 | 72.2° | 180.0° |
| C5 | C7 | C8 | H12 | 48.2° | 60.0° |
| C5 | C7 | C8 | H13 | 167.4° | 59.9° |
| C5 | C7 | C12 | C11 | 128.1° | 180.0° |
| C5 | C7 | C12 | H20 | 111.6° | 60.0° |
| C5 | C7 | C12 | H21 | 7.9° | 60.0° |
| C7 | C5 | N2 | C4 | 115.4° | 85.0° |
| C7 | C5 | C6 | N3 | 107.1° | 99.8° |
| C5 | C6 | O2 | N3 | 176.9° | 180.0° |
| C6 | C5 | C7 | C12 | 67.4° | 61.9° |
| C6 | C5 | C7 | C8 | 168.1° | 178.0° |
| C6 | C5 | C7 | H11 | 50.3° | 58.1° |
| C5 | C6 | N3 | C13 | 179.7° | 175.6° |
| C5 | C6 | N3 | C17 | 3.0° | 4.0° |
| C6 | C5 | N2 | C4 | 128.7° | 155.0° |
| H10 | C5 | C6 | O2 | 170.3° | 159.8° |
| H10 | C5 | C7 | C12 | 53.0° | 58.0° |
| H10 | C5 | C7 | C8 | 71.5° | 62.0° |
| H10 | C5 | C7 | H11 | 170.8° | 178.1° |
| H10 | C5 | N2 | C4 | 6.1° | 35.0° |
| H10 | C5 | C6 | N3 | 12.9° | 20.2° |
| O2 | C6 | N3 | C13 | 2.9° | 4.4° |
| O2 | C6 | N3 | C17 | 179.9° | 175.9° |
| C12 | C7 | C8 | H11 | 117.7° | 120.1° |
| C12 | C7 | C8 | C9 | 52.3° | 60.0° |
| C12 | C7 | C8 | H12 | 172.7° | 60.0° |
| C12 | C7 | C8 | H13 | 68.0° | 180.0° |
| C7 | C12 | C11 | C10 | 56.9° | 60.0° |
| C7 | C12 | C11 | H20 | 120.3° | 120.0° |
| C7 | C12 | C11 | H21 | 120.2° | 120.0° |
| C7 | C12 | C11 | H18 | 177.3° | 180.0° |
| C7 | C12 | C11 | H19 | 63.5° | 60.0° |
| C7 | C12 | H20 | H21 | 119.2° | 120.0° |
| C7 | C8 | C9 | H12 | 120.4° | 119.9° |
| C7 | C8 | C9 | H13 | 120.4° | 120.0° |
| C7 | C8 | H12 | H13 | 118.8° | 120.0° |
| C7 | C8 | C9 | C10 | 55.6° | 59.9° |
| C7 | C8 | C9 | H14 | 64.6° | 179.9° |
| C7 | C8 | C9 | H15 | 175.8° | 60.0° |
| C8 | C7 | C12 | C11 | 3.4° | 60.0° |
| C8 | C7 | C12 | H20 | 123.7° | 180.0° |
| C8 | C7 | C12 | H21 | 116.9° | 60.0° |
| H11 | C7 | C8 | C9 | 170.0° | 60.1° |
| H11 | C7 | C8 | H12 | 69.6° | 179.9° |
| H11 | C7 | C8 | H13 | 49.7° | 60.0° |
| H11 | C7 | C12 | C11 | 114.2° | 60.0° |
| H11 | C7 | C12 | H20 | 6.1° | 60.0° |
| H11 | C7 | C12 | H21 | 125.5° | 180.0° |
| C9 | C8 | H12 | H13 | 118.8° | 120.1° |
| C8 | C9 | C10 | H14 | 120.2° | 120.0° |
| C8 | C9 | C10 | H15 | 120.2° | 119.9° |
| C8 | C9 | H14 | H15 | 119.3° | 120.0° |
| C8 | C9 | C10 | C11 | 2.3° | 60.0° |
| C8 | C9 | C10 | H16 | 122.7° | 60.0° |
| C8 | C9 | C10 | H17 | 118.0° | 180.0° |
| H12 | C8 | C9 | C10 | 175.9° | 60.0° |
| H12 | C8 | C9 | H14 | 55.7° | 60.0° |
| H12 | C8 | C9 | H15 | 63.8° | 179.9° |
| H13 | C8 | C9 | C10 | 64.8° | 179.9° |
| H13 | C8 | C9 | H14 | 175.0° | 60.1° |
| H13 | C8 | C9 | H15 | 55.4° | 60.0° |
| C10 | C9 | H14 | H15 | 119.3° | 120.0° |
| C9 | C10 | C11 | H16 | 120.3° | 120.0° |
| C9 | C10 | C11 | H17 | 120.3° | 120.0° |
| C9 | C10 | H16 | H17 | 119.0° | 119.9° |
| C9 | C10 | C11 | C12 | 53.8° | 60.0° |
| C9 | C10 | C11 | H18 | 174.2° | 180.0° |
| C9 | C10 | C11 | H19 | 66.6° | 60.0° |
| H14 | C9 | C10 | C11 | 117.9° | 179.9° |
| H14 | C9 | C10 | H16 | 2.5° | 59.9° |
| H14 | C9 | C10 | H17 | 121.8° | 60.0° |
| H15 | C9 | C10 | C11 | 122.6° | 60.0° |
| H15 | C9 | C10 | H16 | 117.1° | 180.0° |
| H15 | C9 | C10 | H17 | 2.3° | 60.1° |
| C11 | C10 | H16 | H17 | 119.0° | 120.0° |
| C10 | C11 | C12 | H18 | 120.4° | 120.0° |
| C10 | C11 | C12 | H19 | 120.4° | 120.0° |
| C10 | C11 | H18 | H19 | 118.8° | 120.0° |
| C10 | C11 | C12 | H20 | 177.2° | 179.9° |
| C10 | C11 | C12 | H21 | 63.3° | 60.0° |
| H16 | C10 | C11 | C12 | 66.5° | 60.0° |
| H16 | C10 | C11 | H18 | 53.9° | 60.0° |
| H16 | C10 | C11 | H19 | 173.1° | 180.0° |
| H17 | C10 | C11 | C12 | 174.1° | 180.0° |
| H17 | C10 | C11 | H18 | 65.5° | 60.0° |
| H17 | C10 | C11 | H19 | 53.7° | 60.0° |
| C12 | C11 | H18 | H19 | 118.8° | 120.0° |
| C11 | C12 | H20 | H21 | 119.2° | 120.0° |
| H18 | C11 | C12 | H20 | 62.4° | 60.0° |
| H18 | C11 | C12 | H21 | 57.1° | 60.0° |
| H19 | C11 | C12 | H20 | 56.8° | 59.9° |
| H19 | C11 | C12 | H21 | 176.3° | 180.0° |
| C13 | N3 | C17 | C6 | 177.6° | 179.7° |
| N3 | C13 | C14 | C15 | 118.7° | 117.8° |
| N3 | C13 | C14 | H22 | 123.8° | 120.9° |
| N3 | C13 | C15 | H22 | 119.8° | 119.4° |
| N3 | C13 | C14 | O3 | 26.5° | 0.1° |
| N3 | C13 | C15 | C16 | 12.0° | 22.2° |
| N3 | C13 | C15 | H23 | 107.2° | 140.6° |
| N3 | C13 | C15 | H24 | 131.3° | 96.2° |
| C13 | N3 | C17 | C16 | 23.0° | 24.5° |
| C13 | N3 | C17 | H27 | 142.5° | 94.5° |
| C13 | N3 | C17 | H28 | 96.5° | 143.2° |
| N3 | C13 | C14 | N4 | 153.5° | 180.0° |
| C17 | N3 | C13 | C14 | 110.8° | 120.8° |
| C17 | N3 | C13 | C15 | 6.8° | 1.3° |
| C17 | N3 | C13 | H22 | 125.7° | 118.3° |
| N3 | C17 | C16 | C15 | 29.4° | 37.3° |
| N3 | C17 | C16 | H27 | 119.5° | 118.9° |
| N3 | C17 | C16 | H28 | 119.5° | 118.7° |
| N3 | C17 | C16 | H25 | 148.4° | 80.8° |
| N3 | C17 | C16 | H26 | 89.5° | 155.3° |
| N3 | C17 | H27 | H28 | 121.5° | 122.2° |
| C14 | C13 | C15 | H22 | 117.9° | 121.2° |
| C13 | C14 | O3 | N4 | 180.0° | 179.9° |
| C14 | C13 | C15 | C16 | 134.3° | 97.2° |
| C14 | C13 | C15 | H23 | 15.0° | 21.2° |
| C14 | C13 | C15 | H24 | 106.5° | 144.4° |
| C13 | C14 | N4 | C18 | 174.0° | 180.0° |
| C13 | C14 | N4 | H29 | 6.0° | 0.1° |
| C14 | C13 | N3 | C6 | 71.4° | 59.5° |
| C15 | C13 | C14 | O3 | 92.2° | 117.8° |
| C13 | C15 | C16 | H23 | 119.2° | 118.4° |
| C13 | C15 | C16 | H24 | 119.3° | 118.3° |
| C13 | C15 | H23 | H24 | 122.2° | 123.2° |
| C13 | C15 | C16 | C17 | 24.8° | 35.7° |
| C13 | C15 | C16 | H25 | 143.8° | 82.6° |
| C13 | C15 | C16 | H26 | 94.2° | 153.6° |
| C15 | C13 | N3 | C6 | 171.0° | 179.0° |
| C15 | C13 | C14 | N4 | 87.8° | 62.2° |
| H22 | C13 | C14 | O3 | 150.3° | 121.0° |
| H22 | C13 | C15 | C16 | 107.8° | 141.6° |
| H22 | C13 | C15 | H23 | 133.0° | 100.0° |
| H22 | C13 | C15 | H24 | 11.5° | 23.3° |
| H22 | C13 | N3 | C6 | 52.0° | 61.4° |
| H22 | C13 | C14 | N4 | 29.7° | 59.1° |
| O3 | C14 | N4 | C18 | 6.0° | 0.0° |
| O3 | C14 | N4 | H29 | 174.0° | 180.0° |
| C16 | C15 | H23 | H24 | 122.2° | 123.2° |
| C15 | C16 | C17 | H25 | 119.0° | 118.1° |
| C15 | C16 | C17 | H26 | 119.0° | 118.0° |
| C15 | C16 | H25 | H26 | 122.9° | 123.8° |
| C15 | C16 | C17 | H27 | 148.9° | 81.6° |
| C15 | C16 | C17 | H28 | 90.1° | 156.0° |
| H23 | C15 | C16 | C17 | 94.4° | 154.0° |
| H23 | C15 | C16 | H25 | 24.5° | 35.7° |
| H23 | C15 | C16 | H26 | 146.6° | 88.0° |
| H24 | C15 | C16 | C17 | 144.0° | 82.7° |
| H24 | C15 | C16 | H25 | 97.0° | 159.0° |
| H24 | C15 | C16 | H26 | 25.1° | 35.3° |
| C17 | C16 | H25 | H26 | 123.0° | 124.0° |
| C16 | C17 | H27 | H28 | 121.5° | 122.4° |
| C16 | C17 | N3 | C6 | 154.6° | 155.8° |
| H25 | C16 | C17 | H27 | 92.1° | 160.3° |
| H25 | C16 | C17 | H28 | 28.9° | 37.9° |
| H26 | C16 | C17 | H27 | 30.0° | 36.5° |
| H26 | C16 | C17 | H28 | 151.0° | 85.9° |
| H27 | C17 | N3 | C6 | 35.0° | 85.2° |
| H28 | C17 | N3 | C6 | 85.9° | 37.1° |
| C25 | C24 | C23 | H33 | 180.0° | 179.4° |
| C24 | C25 | C20 | H34 | 180.0° | 179.4° |
| C25 | C24 | C23 | C22 | 0.6° | 0.3° |
| C24 | C25 | C20 | C19 | 179.7° | 179.7° |
| C24 | C25 | C20 | C21 | 1.1° | 0.6° |
| C25 | C24 | C23 | H32 | 179.4° | 179.7° |
| C23 | C24 | C25 | C20 | 1.0° | 0.6° |
| C24 | C23 | C22 | H32 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 0.3° | 0.0° |
| C24 | C23 | C22 | H31 | 179.8° | 180.0° |
| C23 | C24 | C25 | H34 | 179.0° | 180.0° |
| C25 | C20 | C19 | N5 | 45.2° | 144.7° |
| C25 | C20 | C19 | C21 | 178.6° | 179.7° |
| C25 | C20 | C19 | C18 | 136.1° | 35.3° |
| C25 | C20 | C21 | C22 | 0.7° | 0.3° |
| C25 | C20 | C21 | H30 | 179.3° | 179.7° |
| C20 | C25 | C24 | H33 | 179.0° | 180.0° |
| N6 | N5 | C19 | C20 | 179.9° | 180.0° |
| N6 | N5 | C19 | C18 | 1.3° | 0.0° |
| N5 | N6 | S1 | C18 | 1.2° | 0.4° |
| C19 | N5 | N6 | S1 | 0.2° | 0.3° |
| N5 | C19 | C20 | C18 | 178.7° | 180.0° |
| N5 | C19 | C20 | C21 | 133.3° | 35.0° |
| N5 | C19 | C18 | S1 | 2.1° | 0.2° |
| N5 | C19 | C18 | N4 | 176.4° | 180.0° |
| N6 | S1 | C18 | C19 | 1.8° | 0.3° |
| N6 | S1 | C18 | N4 | 177.2° | 179.9° |
| C23 | C22 | C21 | C20 | 0.3° | 0.0° |
| C23 | C22 | C21 | H31 | 180.0° | 180.0° |
| C23 | C22 | C21 | H30 | 179.7° | 180.0° |
| C22 | C23 | C24 | H33 | 179.4° | 179.7° |
| C19 | C20 | C21 | C22 | 179.3° | 180.0° |
| C20 | C19 | C18 | S1 | 179.2° | 179.8° |
| C20 | C19 | C18 | N4 | 4.8° | 0.0° |
| C19 | C20 | C21 | H30 | 0.7° | 0.0° |
| C19 | C20 | C25 | H34 | 0.3° | 0.3° |
| C21 | C20 | C19 | C18 | 45.3° | 145.0° |
| C20 | C21 | C22 | H30 | 180.0° | 180.0° |
| C20 | C21 | C22 | H31 | 179.7° | 180.0° |
| C21 | C20 | C25 | H34 | 178.9° | 180.0° |
| C19 | C18 | S1 | N4 | 175.4° | 179.8° |
| C19 | C18 | N4 | H29 | 36.1° | 0.0° |
| C19 | C18 | N4 | C14 | 143.9° | 180.0° |
| C21 | C22 | C23 | H32 | 179.7° | 180.0° |
| S1 | C18 | N4 | H29 | 137.7° | 179.7° |
| S1 | C18 | N4 | C14 | 42.4° | 0.3° |
| C18 | N4 | H29 | C14 | 180.0° | 180.0° |
| H30 | C21 | C22 | H31 | 0.3° | 0.0° |
| H31 | C22 | C23 | H32 | 0.3° | 0.0° |
| H32 | C23 | C24 | H33 | 0.6° | 0.3° |
| H33 | C24 | C25 | H34 | 1.0° | 0.6° |
