83N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C17 | sing | 1.53Å | 1.51Å | |
| C20 | C17 | sing | 1.53Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.51Å | |
| C17 | O7 | sing | 1.45Å | 1.48Å | |
| O7 | C16 | sing | 1.35Å | 1.33Å | |
| O6 | C16 | doub | 1.22Å | 1.21Å | |
| C16 | N4 | sing | 1.35Å | 1.35Å | |
| N4 | C15 | sing | 1.47Å | 1.45Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| O1 | C2 | sing | 1.43Å | 1.42Å | |
| C2 | C13 | sing | 1.54Å | 1.52Å | |
| C2 | C3 | sing | 1.55Å | 1.52Å | |
| C13 | N3 | sing | 1.47Å | 1.48Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C15 | C21 | sing | 1.53Å | 1.54Å | |
| C23 | C21 | sing | 1.53Å | 1.52Å | |
| C14 | N3 | sing | 1.35Å | 1.33Å | |
| C14 | O5 | doub | 1.21Å | 1.23Å | |
| N3 | C4 | sing | 1.47Å | 1.46Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C3 | C4 | sing | 1.55Å | 1.54Å | |
| C4 | C5 | sing | 1.51Å | 1.52Å | |
| C5 | O2 | doub | 1.21Å | 1.23Å | |
| C5 | N1 | sing | 1.35Å | 1.33Å | |
| N1 | C6 | sing | 1.47Å | 1.46Å | |
| O3 | C11 | doub | 1.21Å | 1.24Å | |
| C8 | C11 | sing | 1.51Å | 1.51Å | |
| C8 | C9 | sing | 1.55Å | 1.52Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C11 | N2 | sing | 1.34Å | 1.31Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C12 | sing | 1.53Å | 1.53Å | |
| C10 | N2 | sing | 1.47Å | 1.46Å | |
| C10 | C9 | sing | 1.54Å | 1.50Å | |
| C12 | O4 | sing | 1.43Å | 1.41Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C15 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C19 | H30 | sing | 1.09Å | 1.10Å | |
| C19 | H28 | sing | 1.09Å | 1.10Å | |
| C19 | H29 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C20 | H33 | sing | 1.09Å | 1.10Å | |
| C21 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.09Å | 1.10Å | |
| C22 | H36 | sing | 1.09Å | 1.10Å | |
| C22 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H39 | sing | 1.09Å | 1.10Å | |
| C23 | H40 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| N2 | H17 | sing | 0.97Å | 1.00Å | |
| N4 | H24 | sing | 0.97Å | 1.00Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| O4 | H20 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C17 | C20 | 111.7° | 109.5° |
| C19 | C17 | C18 | 111.1° | 109.5° |
| C19 | C17 | O7 | 105.5° | 109.5° |
| C17 | C19 | H30 | 109.5° | 109.5° |
| C17 | C19 | H28 | 109.5° | 109.5° |
| C17 | C19 | H29 | 109.5° | 109.5° |
| C20 | C17 | C18 | 111.3° | 109.5° |
| C20 | C17 | O7 | 108.1° | 109.5° |
| C17 | C20 | H31 | 109.5° | 109.5° |
| C17 | C20 | H32 | 109.5° | 109.5° |
| C17 | C20 | H33 | 109.4° | 109.4° |
| C18 | C17 | O7 | 108.9° | 109.4° |
| C17 | C18 | H25 | 109.5° | 109.5° |
| C17 | C18 | H26 | 109.4° | 109.5° |
| C17 | C18 | H27 | 109.5° | 109.5° |
| C17 | O7 | C16 | 122.6° | 117.0° |
| O7 | C16 | O6 | 126.2° | 120.0° |
| O7 | C16 | N4 | 109.0° | 120.0° |
| O6 | C16 | N4 | 124.8° | 120.1° |
| C16 | N4 | C15 | 121.4° | 119.9° |
| C16 | N4 | H24 | 119.3° | 120.0° |
| N4 | C15 | C14 | 108.2° | 109.4° |
| N4 | C15 | C21 | 112.6° | 109.5° |
| N4 | C15 | H23 | 109.4° | 109.5° |
| C15 | N4 | H24 | 119.3° | 120.0° |
| C1 | O1 | C2 | 112.3° | 114.0° |
| O1 | C1 | H1 | 109.5° | 109.5° |
| O1 | C1 | H2 | 109.5° | 109.4° |
| O1 | C1 | H3 | 109.5° | 109.4° |
| O1 | C2 | C13 | 109.6° | 110.7° |
| O1 | C2 | C3 | 112.8° | 110.7° |
| O1 | C2 | H4 | 111.6° | 110.8° |
| C13 | C2 | C3 | 102.2° | 102.9° |
| C2 | C13 | N3 | 101.4° | 107.3° |
| C2 | C13 | H21 | 111.5° | 109.9° |
| C2 | C13 | H22 | 111.4° | 110.0° |
| C13 | C2 | H4 | 110.1° | 110.7° |
| C2 | C3 | C4 | 102.8° | 101.6° |
| C3 | C2 | H4 | 110.2° | 110.7° |
| C2 | C3 | H6 | 111.1° | 110.9° |
| C2 | C3 | H5 | 111.1° | 111.0° |
| C13 | N3 | C14 | 127.0° | 125.6° |
| C13 | N3 | C4 | 111.5° | 108.7° |
| N3 | C13 | H21 | 111.4° | 109.9° |
| N3 | C13 | H22 | 111.5° | 109.8° |
| C14 | C15 | C21 | 109.9° | 109.4° |
| C15 | C14 | N3 | 117.9° | 120.0° |
| C15 | C14 | O5 | 121.3° | 120.0° |
| C14 | C15 | H23 | 108.4° | 109.5° |
| C15 | C21 | C23 | 111.4° | 109.4° |
| C15 | C21 | C22 | 111.9° | 109.5° |
| C21 | C15 | H23 | 108.2° | 109.5° |
| C15 | C21 | H34 | 107.6° | 109.5° |
| C23 | C21 | C22 | 110.2° | 109.5° |
| C23 | C21 | H34 | 107.7° | 109.5° |
| C21 | C23 | H39 | 109.5° | 109.5° |
| C21 | C23 | H40 | 109.5° | 109.4° |
| C21 | C23 | H38 | 109.5° | 109.5° |
| N3 | C14 | O5 | 120.8° | 120.0° |
| C14 | N3 | C4 | 121.5° | 125.7° |
| N3 | C4 | C3 | 103.7° | 104.8° |
| N3 | C4 | C5 | 110.0° | 110.4° |
| N3 | C4 | H7 | 111.1° | 110.4° |
| C22 | C21 | H34 | 107.8° | 109.5° |
| C21 | C22 | H35 | 109.5° | 109.5° |
| C21 | C22 | H36 | 109.5° | 109.5° |
| C21 | C22 | H37 | 109.5° | 109.5° |
| C3 | C4 | C5 | 111.6° | 110.3° |
| C4 | C3 | H6 | 111.1° | 111.0° |
| C4 | C3 | H5 | 111.1° | 111.0° |
| C3 | C4 | H7 | 110.1° | 110.4° |
| C4 | C5 | O2 | 120.5° | 120.0° |
| C4 | C5 | N1 | 116.9° | 120.0° |
| C5 | C4 | H7 | 110.3° | 110.4° |
| O2 | C5 | N1 | 122.6° | 120.0° |
| C5 | N1 | C6 | 122.4° | 120.0° |
| C5 | N1 | H8 | 118.8° | 120.0° |
| N1 | C6 | C7 | 110.4° | 109.4° |
| N1 | C6 | C12 | 109.1° | 109.5° |
| N1 | C6 | H9 | 109.1° | 109.5° |
| C6 | N1 | H8 | 118.8° | 120.0° |
| O3 | C11 | C8 | 125.2° | 125.0° |
| O3 | C11 | N2 | 125.9° | 124.9° |
| C11 | C8 | C9 | 103.4° | 104.2° |
| C11 | C8 | C7 | 114.1° | 110.5° |
| C8 | C11 | N2 | 108.7° | 110.1° |
| C11 | C8 | H12 | 108.4° | 110.4° |
| C9 | C8 | C7 | 114.1° | 110.5° |
| C8 | C9 | C10 | 104.3° | 101.8° |
| C9 | C8 | H12 | 108.3° | 110.5° |
| C8 | C9 | H14 | 110.8° | 110.9° |
| C8 | C9 | H13 | 110.8° | 111.0° |
| C8 | C7 | C6 | 115.3° | 109.4° |
| C8 | C7 | H11 | 108.0° | 109.5° |
| C8 | C7 | H10 | 108.0° | 109.4° |
| C7 | C8 | H12 | 108.2° | 110.6° |
| C11 | N2 | C10 | 113.7° | 111.3° |
| C11 | N2 | H17 | 123.2° | 124.4° |
| C7 | C6 | C12 | 111.7° | 109.5° |
| C7 | C6 | H9 | 108.2° | 109.5° |
| C6 | C7 | H11 | 108.0° | 109.5° |
| C6 | C7 | H10 | 108.0° | 109.5° |
| C6 | C12 | O4 | 111.6° | 109.5° |
| C12 | C6 | H9 | 108.3° | 109.5° |
| C6 | C12 | H18 | 108.9° | 109.5° |
| C6 | C12 | H19 | 108.9° | 109.5° |
| N2 | C10 | C9 | 103.0° | 105.5° |
| N2 | C10 | H16 | 111.0° | 110.3° |
| N2 | C10 | H15 | 111.1° | 110.3° |
| C10 | N2 | H17 | 123.1° | 124.3° |
| C9 | C10 | H16 | 111.1° | 110.2° |
| C9 | C10 | H15 | 111.1° | 110.2° |
| C10 | C9 | H14 | 110.8° | 111.0° |
| C10 | C9 | H13 | 110.8° | 111.0° |
| O4 | C12 | H18 | 109.0° | 109.4° |
| O4 | C12 | H19 | 108.9° | 109.5° |
| C12 | O4 | H20 | 109.5° | 114.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.4° | 109.5° |
| H16 | C10 | H15 | 109.5° | 110.3° |
| H21 | C13 | H22 | 109.5° | 109.9° |
| H25 | C18 | H26 | 109.5° | 109.5° |
| H25 | C18 | H27 | 109.5° | 109.4° |
| H26 | C18 | H27 | 109.5° | 109.5° |
| H30 | C19 | H28 | 109.5° | 109.4° |
| H30 | C19 | H29 | 109.5° | 109.5° |
| H28 | C19 | H29 | 109.5° | 109.5° |
| H31 | C20 | H32 | 109.5° | 109.5° |
| H31 | C20 | H33 | 109.5° | 109.5° |
| H32 | C20 | H33 | 109.5° | 109.5° |
| H35 | C22 | H36 | 109.4° | 109.5° |
| H35 | C22 | H37 | 109.5° | 109.5° |
| H36 | C22 | H37 | 109.5° | 109.4° |
| H39 | C23 | H40 | 109.5° | 109.4° |
| H39 | C23 | H38 | 109.5° | 109.5° |
| H40 | C23 | H38 | 109.5° | 109.5° |
| H6 | C3 | H5 | 109.5° | 111.0° |
| H11 | C7 | H10 | 109.4° | 109.5° |
| H14 | C9 | H13 | 109.4° | 110.9° |
| H18 | C12 | H19 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C17 | C20 | C18 | 124.7° | 120.0° |
| C19 | C17 | C20 | O7 | 115.7° | 120.0° |
| C19 | C17 | C18 | O7 | 115.8° | 120.0° |
| C19 | C17 | O7 | C16 | 176.4° | 60.0° |
| C19 | C17 | C18 | H25 | 180.0° | 180.0° |
| C19 | C17 | C18 | H26 | 60.0° | 60.0° |
| C19 | C17 | C18 | H27 | 60.0° | 60.0° |
| C17 | C19 | H30 | H28 | 120.0° | 120.0° |
| C17 | C19 | H30 | H29 | 120.0° | 120.1° |
| C17 | C19 | H28 | H29 | 120.0° | 120.0° |
| C19 | C17 | C20 | H31 | 180.0° | 60.0° |
| C19 | C17 | C20 | H32 | 60.0° | 60.0° |
| C19 | C17 | C20 | H33 | 60.0° | 180.0° |
| C20 | C17 | C18 | O7 | 119.1° | 120.0° |
| C20 | C17 | O7 | C16 | 64.0° | 180.0° |
| C20 | C17 | C18 | H25 | 54.9° | 60.0° |
| C20 | C17 | C18 | H26 | 65.1° | 60.0° |
| C20 | C17 | C18 | H27 | 174.9° | 180.0° |
| C20 | C17 | C19 | H30 | 180.0° | 180.0° |
| C20 | C17 | C19 | H28 | 60.0° | 60.0° |
| C20 | C17 | C19 | H29 | 60.0° | 60.0° |
| C17 | C20 | H31 | H32 | 120.0° | 120.0° |
| C17 | C20 | H31 | H33 | 120.0° | 120.0° |
| C17 | C20 | H32 | H33 | 119.9° | 120.0° |
| C18 | C17 | O7 | C16 | 57.1° | 60.0° |
| C17 | C18 | H25 | H26 | 120.0° | 120.0° |
| C17 | C18 | H25 | H27 | 120.0° | 120.0° |
| C17 | C18 | H26 | H27 | 120.0° | 120.0° |
| C18 | C17 | C19 | H30 | 55.1° | 60.0° |
| C18 | C17 | C19 | H28 | 64.9° | 60.0° |
| C18 | C17 | C19 | H29 | 175.1° | 180.0° |
| C18 | C17 | C20 | H31 | 55.3° | 180.0° |
| C18 | C17 | C20 | H32 | 175.3° | 60.0° |
| C18 | C17 | C20 | H33 | 64.8° | 60.0° |
| C17 | O7 | C16 | O6 | 6.3° | 0.0° |
| C17 | O7 | C16 | N4 | 174.8° | 179.9° |
| O7 | C17 | C18 | H25 | 64.2° | 60.0° |
| O7 | C17 | C18 | H26 | 175.8° | 180.0° |
| O7 | C17 | C18 | H27 | 55.8° | 60.0° |
| O7 | C17 | C19 | H30 | 62.8° | 60.0° |
| O7 | C17 | C19 | H28 | 177.2° | 179.9° |
| O7 | C17 | C19 | H29 | 57.2° | 60.1° |
| O7 | C17 | C20 | H31 | 64.3° | 60.0° |
| O7 | C17 | C20 | H32 | 55.7° | 180.0° |
| O7 | C17 | C20 | H33 | 175.6° | 60.0° |
| O7 | C16 | O6 | N4 | 178.7° | 179.9° |
| O7 | C16 | N4 | C15 | 171.2° | 180.0° |
| O7 | C16 | N4 | H24 | 8.8° | 0.0° |
| O6 | C16 | N4 | C15 | 7.7° | 0.1° |
| O6 | C16 | N4 | H24 | 172.3° | 180.0° |
| C16 | N4 | C15 | H24 | 180.0° | 180.0° |
| C16 | N4 | C15 | C14 | 116.1° | 155.0° |
| C16 | N4 | C15 | C21 | 122.2° | 85.0° |
| C16 | N4 | C15 | H23 | 1.8° | 35.0° |
| N4 | C15 | C14 | C21 | 123.4° | 120.0° |
| N4 | C15 | C14 | H23 | 118.5° | 120.0° |
| N4 | C15 | C21 | H23 | 121.0° | 120.0° |
| N4 | C15 | C21 | C23 | 52.4° | 56.5° |
| N4 | C15 | C14 | N3 | 107.1° | 142.3° |
| N4 | C15 | C14 | O5 | 72.9° | 37.6° |
| N4 | C15 | C21 | C22 | 176.3° | 176.5° |
| N4 | C15 | C21 | H34 | 65.5° | 63.4° |
| C1 | O1 | C2 | C13 | 177.2° | 91.5° |
| C1 | O1 | C2 | C3 | 69.7° | 155.0° |
| O1 | C1 | H1 | H2 | 120.0° | 120.0° |
| O1 | C1 | H1 | H3 | 120.0° | 119.9° |
| O1 | C1 | H2 | H3 | 120.0° | 119.9° |
| C1 | O1 | C2 | H4 | 55.0° | 31.8° |
| O1 | C2 | C13 | C3 | 119.9° | 118.4° |
| O1 | C2 | C13 | H4 | 123.1° | 123.3° |
| O1 | C2 | C3 | H4 | 125.4° | 123.3° |
| O1 | C2 | C13 | N3 | 159.5° | 140.6° |
| O1 | C2 | C3 | C4 | 159.3° | 153.9° |
| C2 | O1 | C1 | H1 | 180.0° | 180.0° |
| C2 | O1 | C1 | H2 | 60.0° | 60.0° |
| C2 | O1 | C1 | H3 | 60.0° | 60.0° |
| O1 | C2 | C13 | H21 | 40.9° | 21.2° |
| O1 | C2 | C13 | H22 | 81.8° | 100.0° |
| O1 | C2 | C3 | H6 | 81.7° | 88.1° |
| O1 | C2 | C3 | H5 | 40.4° | 35.8° |
| C13 | C2 | C3 | H4 | 116.9° | 118.4° |
| C2 | C13 | N3 | H21 | 118.7° | 119.5° |
| C2 | C13 | N3 | H22 | 118.7° | 119.5° |
| C2 | C13 | N3 | C14 | 154.3° | 178.9° |
| C2 | C13 | N3 | C4 | 23.6° | 1.0° |
| C13 | C2 | C3 | C4 | 41.7° | 35.6° |
| C2 | C13 | H21 | H22 | 123.8° | 121.2° |
| C13 | C2 | C3 | H6 | 160.7° | 153.6° |
| C13 | C2 | C3 | H5 | 77.2° | 82.6° |
| C3 | C2 | C13 | N3 | 39.6° | 22.3° |
| C2 | C3 | C4 | N3 | 27.2° | 37.0° |
| C2 | C3 | C4 | H6 | 118.9° | 118.0° |
| C2 | C3 | C4 | H5 | 118.9° | 118.1° |
| C2 | C3 | C4 | C5 | 145.5° | 155.8° |
| C3 | C2 | C13 | H21 | 79.0° | 97.2° |
| C3 | C2 | C13 | H22 | 158.3° | 141.7° |
| C2 | C3 | H6 | H5 | 123.1° | 123.9° |
| C2 | C3 | C4 | H7 | 91.8° | 81.9° |
| C13 | N3 | C14 | C15 | 11.6° | 4.3° |
| C13 | N3 | C14 | C4 | 177.7° | 179.9° |
| C13 | N3 | C14 | O5 | 168.5° | 175.7° |
| C13 | N3 | C4 | C3 | 2.1° | 24.1° |
| C13 | N3 | C4 | C5 | 121.5° | 142.9° |
| N3 | C13 | H21 | H22 | 123.8° | 121.0° |
| N3 | C13 | C2 | H4 | 77.4° | 96.1° |
| C13 | N3 | C4 | H7 | 116.1° | 94.8° |
| C14 | C15 | C21 | H23 | 118.2° | 120.0° |
| C14 | C15 | C21 | C23 | 173.1° | 176.5° |
| C15 | C14 | N3 | O5 | 179.9° | 180.0° |
| C15 | C14 | N3 | C4 | 170.7° | 175.6° |
| C14 | C15 | C21 | C22 | 63.0° | 63.6° |
| C14 | C15 | C21 | H34 | 55.3° | 56.5° |
| C14 | C15 | N4 | H24 | 63.9° | 25.0° |
| C15 | C21 | C23 | C22 | 124.9° | 120.0° |
| C15 | C21 | C23 | H34 | 117.7° | 119.9° |
| C21 | C15 | C14 | N3 | 129.5° | 97.7° |
| C21 | C15 | C14 | O5 | 50.4° | 82.4° |
| C15 | C21 | C22 | H34 | 118.1° | 120.0° |
| C15 | C21 | C22 | H35 | 180.0° | 57.0° |
| C15 | C21 | C22 | H36 | 60.0° | 177.1° |
| C15 | C21 | C22 | H37 | 60.0° | 63.0° |
| C15 | C21 | C23 | H39 | 180.0° | 60.0° |
| C15 | C21 | C23 | H40 | 60.0° | 180.0° |
| C15 | C21 | C23 | H38 | 60.0° | 60.1° |
| C21 | C15 | N4 | H24 | 57.8° | 95.0° |
| C23 | C21 | C22 | H34 | 117.4° | 120.0° |
| C23 | C21 | C15 | H23 | 68.7° | 63.5° |
| C23 | C21 | C22 | H35 | 55.5° | 62.9° |
| C23 | C21 | C22 | H36 | 175.5° | 57.1° |
| C23 | C21 | C22 | H37 | 64.5° | 177.0° |
| C21 | C23 | H39 | H40 | 120.0° | 119.9° |
| C21 | C23 | H39 | H38 | 120.0° | 120.0° |
| C21 | C23 | H40 | H38 | 120.0° | 120.0° |
| C14 | N3 | C4 | C3 | 179.9° | 155.8° |
| C14 | N3 | C4 | C5 | 60.5° | 37.0° |
| C14 | N3 | C13 | H21 | 87.0° | 59.5° |
| C14 | N3 | C13 | H22 | 35.6° | 61.6° |
| N3 | C14 | C15 | H23 | 11.4° | 22.3° |
| C14 | N3 | C4 | H7 | 61.9° | 85.3° |
| O5 | C14 | N3 | C4 | 9.2° | 4.4° |
| O5 | C14 | C15 | H23 | 168.5° | 157.6° |
| N3 | C4 | C3 | C5 | 118.3° | 118.8° |
| N3 | C4 | C3 | H7 | 118.9° | 118.9° |
| N3 | C4 | C5 | H7 | 122.9° | 122.4° |
| N3 | C4 | C5 | O2 | 55.1° | 25.2° |
| N3 | C4 | C5 | N1 | 125.1° | 154.7° |
| C4 | N3 | C13 | H21 | 95.1° | 120.5° |
| C4 | N3 | C13 | H22 | 142.2° | 118.5° |
| N3 | C4 | C3 | H6 | 146.1° | 155.0° |
| N3 | C4 | C3 | H5 | 91.8° | 81.1° |
| C22 | C21 | C15 | H23 | 55.2° | 56.5° |
| C21 | C22 | H35 | H36 | 120.0° | 120.1° |
| C21 | C22 | H35 | H37 | 120.0° | 120.0° |
| C21 | C22 | H36 | H37 | 120.0° | 119.9° |
| C22 | C21 | C23 | H39 | 55.1° | 180.0° |
| C22 | C21 | C23 | H40 | 64.9° | 60.1° |
| C22 | C21 | C23 | H38 | 175.2° | 59.9° |
| C3 | C4 | C5 | H7 | 122.6° | 122.3° |
| C3 | C4 | C5 | O2 | 59.3° | 90.2° |
| C3 | C4 | C5 | N1 | 120.5° | 89.9° |
| C4 | C3 | C2 | H4 | 75.2° | 82.8° |
| C4 | C3 | H6 | H5 | 123.1° | 124.0° |
| C4 | C5 | O2 | N1 | 179.8° | 179.9° |
| C4 | C5 | N1 | C6 | 179.0° | 180.0° |
| C5 | C4 | C3 | H6 | 95.5° | 86.2° |
| C5 | C4 | C3 | H5 | 26.6° | 37.8° |
| C4 | C5 | N1 | H8 | 1.0° | 0.0° |
| O2 | C5 | N1 | C6 | 0.8° | 0.0° |
| O2 | C5 | C4 | H7 | 178.1° | 147.6° |
| O2 | C5 | N1 | H8 | 179.2° | 180.0° |
| C5 | N1 | C6 | H8 | 180.0° | 180.0° |
| C5 | N1 | C6 | C7 | 126.8° | 155.8° |
| C5 | N1 | C6 | C12 | 110.1° | 84.2° |
| N1 | C5 | C4 | H7 | 2.1° | 32.4° |
| C5 | N1 | C6 | H9 | 8.0° | 35.8° |
| N1 | C6 | C7 | C8 | 65.8° | 65.3° |
| N1 | C6 | C7 | C12 | 121.5° | 120.0° |
| N1 | C6 | C7 | H9 | 119.3° | 120.0° |
| N1 | C6 | C12 | H9 | 118.6° | 120.0° |
| N1 | C6 | C12 | O4 | 173.0° | 65.0° |
| N1 | C6 | C7 | H11 | 173.4° | 54.7° |
| N1 | C6 | C7 | H10 | 55.1° | 174.8° |
| N1 | C6 | C12 | H18 | 66.7° | 55.0° |
| N1 | C6 | C12 | H19 | 52.7° | 175.0° |
| O3 | C11 | C8 | N2 | 175.4° | 180.0° |
| O3 | C11 | C8 | C9 | 171.1° | 163.8° |
| O3 | C11 | C8 | C7 | 46.6° | 45.0° |
| O3 | C11 | N2 | C10 | 172.1° | 179.6° |
| O3 | C11 | C8 | H12 | 74.0° | 77.6° |
| O3 | C11 | N2 | H17 | 7.9° | 0.5° |
| C11 | C8 | C9 | C7 | 124.5° | 118.7° |
| C11 | C8 | C9 | H12 | 114.9° | 118.6° |
| C11 | C8 | C7 | H12 | 120.7° | 122.5° |
| C11 | C8 | C7 | C6 | 176.0° | 176.2° |
| C8 | C11 | N2 | C10 | 3.3° | 0.4° |
| C11 | C8 | C9 | C10 | 24.0° | 24.8° |
| C11 | C8 | C7 | H11 | 63.2° | 56.1° |
| C11 | C8 | C7 | H10 | 55.1° | 63.9° |
| C11 | C8 | C9 | H14 | 95.2° | 142.9° |
| C11 | C8 | C9 | H13 | 143.2° | 93.3° |
| C8 | C11 | N2 | H17 | 176.7° | 179.5° |
| C9 | C8 | C7 | H12 | 120.7° | 122.7° |
| C9 | C8 | C11 | N2 | 13.4° | 16.2° |
| C9 | C8 | C7 | C6 | 65.4° | 69.0° |
| C8 | C9 | C10 | N2 | 25.6° | 25.4° |
| C8 | C9 | C10 | H14 | 119.2° | 118.1° |
| C8 | C9 | C10 | H13 | 119.2° | 118.1° |
| C8 | C9 | C10 | H16 | 93.3° | 144.4° |
| C8 | C9 | C10 | H15 | 144.6° | 93.6° |
| C9 | C8 | C7 | H11 | 55.4° | 170.9° |
| C9 | C8 | C7 | H10 | 173.7° | 50.9° |
| C8 | C9 | H14 | H13 | 122.4° | 123.8° |
| C7 | C8 | C11 | N2 | 138.0° | 135.0° |
| C8 | C7 | C6 | H11 | 120.9° | 120.0° |
| C8 | C7 | C6 | H10 | 120.9° | 119.9° |
| C8 | C7 | C6 | C12 | 172.7° | 174.7° |
| C7 | C8 | C9 | C10 | 148.5° | 143.5° |
| C8 | C7 | C6 | H9 | 53.6° | 54.7° |
| C8 | C7 | H11 | H10 | 117.4° | 120.0° |
| C7 | C8 | C9 | H14 | 29.3° | 98.4° |
| C7 | C8 | C9 | H13 | 92.3° | 25.3° |
| C11 | N2 | C10 | H17 | 180.0° | 180.0° |
| C11 | N2 | C10 | C9 | 18.8° | 17.0° |
| C11 | N2 | C10 | H16 | 100.2° | 136.0° |
| C11 | N2 | C10 | H15 | 137.8° | 101.9° |
| N2 | C11 | C8 | H12 | 101.4° | 102.4° |
| C7 | C6 | C12 | H9 | 119.1° | 120.0° |
| C7 | C6 | C12 | O4 | 64.7° | 55.0° |
| C6 | C7 | H11 | H10 | 117.3° | 120.0° |
| C6 | C7 | C8 | H12 | 55.2° | 53.6° |
| C7 | C6 | N1 | H8 | 53.2° | 24.1° |
| C7 | C6 | C12 | H18 | 55.6° | 175.0° |
| C7 | C6 | C12 | H19 | 175.0° | 65.1° |
| C6 | C12 | O4 | H18 | 120.3° | 120.0° |
| C6 | C12 | O4 | H19 | 120.3° | 120.1° |
| C12 | C6 | C7 | H11 | 51.8° | 65.2° |
| C12 | C6 | C7 | H10 | 66.4° | 54.8° |
| C12 | C6 | N1 | H8 | 69.9° | 95.8° |
| C6 | C12 | H18 | H19 | 119.0° | 120.0° |
| C6 | C12 | O4 | H20 | 180.0° | 180.0° |
| N2 | C10 | C9 | H16 | 119.0° | 119.0° |
| N2 | C10 | C9 | H15 | 119.0° | 119.0° |
| N2 | C10 | H16 | H15 | 123.0° | 122.0° |
| N2 | C10 | C9 | H14 | 93.6° | 143.5° |
| N2 | C10 | C9 | H13 | 144.8° | 92.7° |
| C9 | C10 | H16 | H15 | 123.0° | 121.9° |
| C10 | C9 | C8 | H12 | 90.9° | 93.8° |
| C10 | C9 | H14 | H13 | 122.4° | 123.9° |
| C9 | C10 | N2 | H17 | 161.2° | 162.9° |
| O4 | C12 | C6 | H9 | 54.3° | 175.0° |
| O4 | C12 | H18 | H19 | 119.0° | 120.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.1° |
| H16 | C10 | C9 | H14 | 147.5° | 97.5° |
| H16 | C10 | C9 | H13 | 25.8° | 26.3° |
| H16 | C10 | N2 | H17 | 79.8° | 44.0° |
| H15 | C10 | C9 | H14 | 25.4° | 24.5° |
| H15 | C10 | C9 | H13 | 96.2° | 148.3° |
| H15 | C10 | N2 | H17 | 42.2° | 78.1° |
| H21 | C13 | C2 | H4 | 164.0° | 144.4° |
| H22 | C13 | C2 | H4 | 41.3° | 23.3° |
| H23 | C15 | C21 | H34 | 173.5° | 176.5° |
| H23 | C15 | N4 | H24 | 178.2° | 145.0° |
| H25 | C18 | H26 | H27 | 120.0° | 120.0° |
| H30 | C19 | H28 | H29 | 120.0° | 120.0° |
| H4 | C2 | C3 | H6 | 43.7° | 35.2° |
| H4 | C2 | C3 | H5 | 165.8° | 159.0° |
| H31 | C20 | H32 | H33 | 120.0° | 120.0° |
| H34 | C21 | C22 | H35 | 61.9° | 177.0° |
| H34 | C21 | C22 | H36 | 58.1° | 62.9° |
| H34 | C21 | C22 | H37 | 178.1° | 57.0° |
| H34 | C21 | C23 | H39 | 62.3° | 59.9° |
| H34 | C21 | C23 | H40 | 177.7° | 60.0° |
| H34 | C21 | C23 | H38 | 57.7° | 180.0° |
| H35 | C22 | H36 | H37 | 120.0° | 120.0° |
| H39 | C23 | H40 | H38 | 120.0° | 120.0° |
| H6 | C3 | C4 | H7 | 27.2° | 36.1° |
| H5 | C3 | C4 | H7 | 149.3° | 160.0° |
| H9 | C6 | C7 | H11 | 67.3° | 174.8° |
| H9 | C6 | C7 | H10 | 174.4° | 65.2° |
| H9 | C6 | N1 | H8 | 172.0° | 144.2° |
| H9 | C6 | C12 | H18 | 174.7° | 65.0° |
| H9 | C6 | C12 | H19 | 66.0° | 55.0° |
| H11 | C7 | C8 | H12 | 176.1° | 66.4° |
| H10 | C7 | C8 | H12 | 65.6° | 173.6° |
| H12 | C8 | C9 | H14 | 149.9° | 24.3° |
| H12 | C8 | C9 | H13 | 28.3° | 148.0° |
| H18 | C12 | O4 | H20 | 59.7° | 60.0° |
| H19 | C12 | O4 | H20 | 59.7° | 60.0° |
