87E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | C22 | doub | 1.21Å | 1.25Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| C22 | O19 | sing | 1.34Å | 1.26Å | |
| O17 | C17 | doub | 1.21Å | 1.17Å | |
| C21 | N4 | sing | 1.46Å | 1.45Å | |
| C21 | C23 | sing | 1.53Å | 1.52Å | |
| O21 | C23 | sing | 1.43Å | 1.41Å | |
| C17 | N4 | sing | 1.35Å | 1.48Å | |
| C17 | C16 | sing | 1.51Å | 1.50Å | |
| C16 | C18 | sing | 1.53Å | 1.55Å | |
| C16 | O14 | sing | 1.43Å | 1.37Å | |
| C20 | C19 | sing | 1.51Å | 1.57Å | |
| O14 | C13 | sing | 1.43Å | 1.48Å | |
| C19 | O18 | doub | 1.21Å | 1.21Å | |
| C19 | N3 | sing | 1.35Å | 1.46Å | |
| N3 | C14 | sing | 1.46Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.48Å | |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C14 | C10 | sing | 1.53Å | 1.53Å | |
| O15 | C12 | sing | 1.43Å | 1.42Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| O12 | C10 | sing | 1.43Å | 1.35Å | |
| O12 | P2 | sing | 1.61Å | 1.65Å | |
| C10 | O13 | sing | 1.43Å | 1.52Å | |
| O11 | P2 | doub | 1.48Å | 1.50Å | |
| C11 | O13 | sing | 1.43Å | 1.46Å | |
| C11 | C15 | sing | 1.53Å | 1.53Å | |
| P2 | O10 | sing | 1.61Å | 1.47Å | |
| P2 | O7 | sing | 1.61Å | 1.66Å | |
| O16 | C15 | sing | 1.43Å | 1.42Å | |
| O7 | P1 | sing | 1.61Å | 1.68Å | |
| O8 | P1 | doub | 1.48Å | 1.46Å | |
| P1 | O6 | sing | 1.61Å | 1.68Å | |
| P1 | O9 | sing | 1.61Å | 1.46Å | |
| O1 | C1 | doub | 1.22Å | 1.18Å | |
| O6 | C9 | sing | 1.43Å | 1.43Å | |
| C9 | C8 | sing | 1.53Å | 1.41Å | |
| C4 | C1 | sing | 1.42Å | 1.39Å | |
| C4 | C3 | doub | 1.35Å | 1.40Å | |
| C1 | N1 | sing | 1.35Å | 1.35Å | |
| O3 | C8 | sing | 1.44Å | 1.51Å | |
| O3 | C5 | sing | 1.44Å | 1.33Å | |
| N1 | C2 | sing | 1.35Å | 1.34Å | |
| C3 | N2 | sing | 1.37Å | 1.38Å | |
| C8 | C7 | sing | 1.54Å | 1.62Å | |
| C2 | N2 | sing | 1.35Å | 1.36Å | |
| C2 | O2 | doub | 1.22Å | 1.43Å | |
| N2 | C5 | sing | 1.46Å | 1.45Å | |
| C5 | C6 | sing | 1.55Å | 1.67Å | |
| C7 | C6 | sing | 1.55Å | 1.26Å | |
| C7 | O5 | sing | 1.43Å | 1.51Å | |
| C6 | O4 | sing | 1.43Å | 1.48Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N3 | H2 | sing | 0.97Å | 1.00Å | |
| C4 | H3 | sing | 1.08Å | 1.08Å | |
| O4 | H4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.08Å | 1.08Å | |
| N4 | H8 | sing | 0.97Å | 1.00Å | |
| O5 | H9 | sing | 0.97Å | 0.95Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C9 | H12 | sing | 1.09Å | 1.10Å | |
| C9 | H13 | sing | 1.09Å | 1.10Å | |
| O9 | H14 | sing | 0.97Å | 0.95Å | |
| C10 | H15 | sing | 1.09Å | 1.10Å | |
| O10 | H16 | sing | 0.97Å | 0.95Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| O15 | H23 | sing | 0.97Å | 0.95Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å | |
| O16 | H25 | sing | 0.97Å | 0.95Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| O19 | H29 | sing | 0.97Å | 0.95Å | |
| C20 | H30 | sing | 1.09Å | 1.10Å | |
| C20 | H31 | sing | 1.09Å | 1.10Å | |
| C20 | H32 | sing | 1.09Å | 1.10Å | |
| C21 | H33 | sing | 1.09Å | 1.10Å | |
| O21 | H34 | sing | 0.97Å | 0.95Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | C22 | C21 | 117.6° | 120.0° |
| O20 | C22 | O19 | 128.5° | 120.0° |
| C21 | C22 | O19 | 113.9° | 120.0° |
| C22 | C21 | N4 | 110.9° | 109.4° |
| C22 | C21 | C23 | 100.9° | 109.4° |
| C22 | C21 | H33 | 112.4° | 109.5° |
| C22 | O19 | H29 | 109.5° | 117.0° |
| O17 | C17 | N4 | 130.4° | 120.0° |
| O17 | C17 | C16 | 117.6° | 120.0° |
| N4 | C21 | C23 | 106.5° | 109.5° |
| C21 | N4 | C17 | 131.4° | 120.0° |
| C21 | N4 | H8 | 114.3° | 120.0° |
| N4 | C21 | H33 | 113.3° | 109.5° |
| C21 | C23 | O21 | 107.0° | 109.5° |
| C23 | C21 | H33 | 112.1° | 109.4° |
| C21 | C23 | H35 | 110.1° | 109.5° |
| C21 | C23 | H36 | 110.1° | 109.4° |
| C23 | O21 | H34 | 109.5° | 114.0° |
| O21 | C23 | H35 | 110.1° | 109.5° |
| O21 | C23 | H36 | 110.1° | 109.5° |
| N4 | C17 | C16 | 111.9° | 120.0° |
| C17 | N4 | H8 | 114.3° | 120.0° |
| C17 | C16 | C18 | 98.4° | 109.5° |
| C17 | C16 | O14 | 104.5° | 109.5° |
| C17 | C16 | H24 | 114.2° | 109.5° |
| C18 | C16 | O14 | 107.7° | 109.5° |
| C18 | C16 | H24 | 113.4° | 109.5° |
| C16 | C18 | H26 | 109.5° | 109.5° |
| C16 | C18 | H27 | 109.4° | 109.5° |
| C16 | C18 | H28 | 109.5° | 109.5° |
| C16 | O14 | C13 | 116.6° | 114.0° |
| O14 | C16 | H24 | 116.7° | 109.5° |
| C20 | C19 | O18 | 123.7° | 120.0° |
| C20 | C19 | N3 | 118.5° | 120.0° |
| C19 | C20 | H30 | 109.5° | 109.4° |
| C19 | C20 | H31 | 109.4° | 109.5° |
| C19 | C20 | H32 | 109.5° | 109.5° |
| O14 | C13 | C14 | 112.5° | 109.5° |
| O14 | C13 | C12 | 104.8° | 109.5° |
| O14 | C13 | H19 | 110.5° | 109.6° |
| O18 | C19 | N3 | 117.9° | 120.0° |
| C19 | N3 | C14 | 119.4° | 120.0° |
| C19 | N3 | H2 | 120.3° | 119.9° |
| N3 | C14 | C13 | 112.0° | 109.5° |
| N3 | C14 | C10 | 104.7° | 109.6° |
| C14 | N3 | H2 | 120.3° | 120.0° |
| N3 | C14 | H20 | 109.5° | 109.5° |
| C14 | C13 | C12 | 108.4° | 109.0° |
| C13 | C14 | C10 | 110.4° | 109.1° |
| C14 | C13 | H19 | 110.4° | 109.6° |
| C13 | C14 | H20 | 110.4° | 109.5° |
| C13 | C12 | O15 | 110.6° | 109.6° |
| C13 | C12 | C11 | 110.7° | 109.1° |
| C13 | C12 | H18 | 107.3° | 109.5° |
| C12 | C13 | H19 | 110.0° | 109.6° |
| C14 | C10 | O12 | 104.6° | 109.5° |
| C14 | C10 | O13 | 113.1° | 109.4° |
| C14 | C10 | H15 | 108.5° | 109.5° |
| C10 | C14 | H20 | 109.7° | 109.6° |
| O15 | C12 | C11 | 112.2° | 109.5° |
| O15 | C12 | H18 | 108.5° | 109.5° |
| C12 | O15 | H23 | 109.5° | 114.0° |
| C12 | C11 | O13 | 108.3° | 109.4° |
| C12 | C11 | C15 | 110.1° | 109.4° |
| C12 | C11 | H17 | 109.3° | 109.5° |
| C11 | C12 | H18 | 107.2° | 109.6° |
| C10 | O12 | P2 | 121.7° | 123.0° |
| O12 | C10 | O13 | 111.1° | 109.5° |
| O12 | C10 | H15 | 110.9° | 109.5° |
| O12 | P2 | O11 | 112.1° | 109.5° |
| O12 | P2 | O10 | 112.4° | 109.4° |
| O12 | P2 | O7 | 106.6° | 109.5° |
| C10 | O13 | C11 | 114.3° | 114.1° |
| O13 | C10 | H15 | 108.5° | 109.5° |
| O11 | P2 | O10 | 105.1° | 109.5° |
| O11 | P2 | O7 | 108.9° | 109.5° |
| O13 | C11 | C15 | 109.8° | 109.4° |
| O13 | C11 | H17 | 110.2° | 109.5° |
| C11 | C15 | O16 | 107.5° | 109.4° |
| C15 | C11 | H17 | 109.2° | 109.5° |
| C11 | C15 | H21 | 110.0° | 109.4° |
| C11 | C15 | H22 | 110.0° | 109.5° |
| O10 | P2 | O7 | 111.7° | 109.5° |
| P2 | O10 | H16 | 109.5° | 114.0° |
| P2 | O7 | P1 | 121.2° | 134.0° |
| O16 | C15 | H21 | 109.9° | 109.4° |
| O16 | C15 | H22 | 110.0° | 109.5° |
| C15 | O16 | H25 | 109.5° | 114.0° |
| O7 | P1 | O8 | 110.2° | 109.5° |
| O7 | P1 | O6 | 106.5° | 109.4° |
| O7 | P1 | O9 | 110.5° | 109.5° |
| O8 | P1 | O6 | 115.6° | 109.5° |
| O8 | P1 | O9 | 104.7° | 109.5° |
| O6 | P1 | O9 | 109.3° | 109.4° |
| P1 | O6 | C9 | 122.5° | 123.0° |
| P1 | O9 | H14 | 109.5° | 114.0° |
| O1 | C1 | C4 | 119.2° | 120.3° |
| O1 | C1 | N1 | 119.9° | 120.3° |
| O6 | C9 | C8 | 107.7° | 109.5° |
| O6 | C9 | H12 | 109.9° | 109.4° |
| O6 | C9 | H13 | 109.9° | 109.5° |
| C9 | C8 | O3 | 113.5° | 109.9° |
| C9 | C8 | C7 | 113.5° | 109.9° |
| C9 | C8 | H11 | 109.6° | 110.0° |
| C8 | C9 | H12 | 109.9° | 109.5° |
| C8 | C9 | H13 | 109.9° | 109.5° |
| C1 | C4 | C3 | 118.4° | 119.1° |
| C4 | C1 | N1 | 120.9° | 119.4° |
| C1 | C4 | H3 | 120.8° | 120.4° |
| C4 | C3 | N2 | 118.6° | 119.7° |
| C3 | C4 | H3 | 120.8° | 120.5° |
| C4 | C3 | H7 | 120.7° | 120.1° |
| C1 | N1 | C2 | 120.7° | 120.3° |
| C1 | N1 | H1 | 119.6° | 119.9° |
| C8 | O3 | C5 | 107.2° | 106.9° |
| O3 | C8 | C7 | 104.6° | 107.3° |
| O3 | C8 | H11 | 108.3° | 109.9° |
| O3 | C5 | N2 | 110.4° | 110.8° |
| O3 | C5 | C6 | 105.6° | 103.5° |
| O3 | C5 | H5 | 111.1° | 110.6° |
| N1 | C2 | N2 | 120.6° | 120.9° |
| N1 | C2 | O2 | 116.5° | 119.6° |
| C2 | N1 | H1 | 119.7° | 119.8° |
| C3 | N2 | C2 | 120.9° | 120.6° |
| C3 | N2 | C5 | 117.0° | 119.7° |
| N2 | C3 | H7 | 120.7° | 120.2° |
| C8 | C7 | C6 | 105.0° | 104.2° |
| C8 | C7 | O5 | 104.6° | 110.5° |
| C8 | C7 | H10 | 109.2° | 110.5° |
| C7 | C8 | H11 | 107.0° | 109.9° |
| N2 | C2 | O2 | 123.0° | 119.5° |
| C2 | N2 | C5 | 122.0° | 119.7° |
| N2 | C5 | C6 | 113.3° | 110.6° |
| N2 | C5 | H5 | 109.5° | 110.5° |
| C5 | C6 | C7 | 104.9° | 102.1° |
| C5 | C6 | O4 | 108.3° | 110.9° |
| C6 | C5 | H5 | 106.8° | 110.6° |
| C5 | C6 | H6 | 107.0° | 111.0° |
| C6 | C7 | O5 | 111.6° | 110.5° |
| C7 | C6 | O4 | 114.2° | 110.9° |
| C7 | C6 | H6 | 112.8° | 110.9° |
| C6 | C7 | H10 | 115.1° | 110.5° |
| C7 | O5 | H9 | 109.5° | 114.0° |
| O5 | C7 | H10 | 110.7° | 110.5° |
| C6 | O4 | H4 | 109.5° | 114.1° |
| O4 | C6 | H6 | 109.2° | 110.7° |
| H12 | C9 | H13 | 109.5° | 109.5° |
| H21 | C15 | H22 | 109.5° | 109.5° |
| H26 | C18 | H27 | 109.5° | 109.5° |
| H26 | C18 | H28 | 109.5° | 109.5° |
| H27 | C18 | H28 | 109.5° | 109.4° |
| H30 | C20 | H31 | 109.5° | 109.5° |
| H30 | C20 | H32 | 109.5° | 109.5° |
| H31 | C20 | H32 | 109.5° | 109.5° |
| H35 | C23 | H36 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | C22 | C21 | O19 | 178.6° | 179.9° |
| O20 | C22 | C21 | N4 | 112.6° | 0.1° |
| O20 | C22 | C21 | C23 | 134.9° | 120.1° |
| O20 | C22 | O19 | H29 | 0.0° | 0.1° |
| O20 | C22 | C21 | H33 | 15.3° | 120.0° |
| C22 | C21 | N4 | C23 | 108.9° | 119.9° |
| C22 | C21 | N4 | H33 | 127.4° | 120.0° |
| C22 | C21 | C23 | H33 | 119.8° | 120.0° |
| C22 | C21 | C23 | O21 | 100.0° | 55.0° |
| C22 | C21 | N4 | C17 | 89.1° | 85.1° |
| C22 | C21 | N4 | H8 | 90.9° | 95.0° |
| C21 | C22 | O19 | H29 | 178.4° | 180.0° |
| C22 | C21 | C23 | H35 | 140.4° | 65.0° |
| C22 | C21 | C23 | H36 | 19.6° | 175.0° |
| O19 | C22 | C21 | N4 | 68.8° | 180.0° |
| O19 | C22 | C21 | C23 | 43.7° | 60.0° |
| O19 | C22 | C21 | H33 | 163.3° | 59.9° |
| O17 | C17 | N4 | C21 | 1.5° | 0.0° |
| O17 | C17 | N4 | C16 | 175.5° | 180.0° |
| O17 | C17 | C16 | C18 | 103.2° | 115.0° |
| O17 | C17 | C16 | O14 | 146.0° | 5.0° |
| O17 | C17 | N4 | H8 | 178.5° | 179.9° |
| O17 | C17 | C16 | H24 | 17.3° | 125.0° |
| N4 | C21 | C23 | H33 | 124.4° | 120.1° |
| N4 | C21 | C23 | O21 | 144.2° | 64.9° |
| C21 | N4 | C17 | H8 | 180.0° | 179.9° |
| C21 | N4 | C17 | C16 | 176.9° | 180.0° |
| N4 | C21 | C23 | H35 | 24.6° | 175.0° |
| N4 | C21 | C23 | H36 | 96.2° | 55.0° |
| C21 | C23 | O21 | H35 | 119.6° | 120.0° |
| C21 | C23 | O21 | H36 | 119.6° | 120.0° |
| C23 | C21 | N4 | C17 | 162.0° | 155.0° |
| C23 | C21 | N4 | H8 | 18.0° | 24.9° |
| C21 | C23 | O21 | H34 | 180.0° | 180.0° |
| C21 | C23 | H35 | H36 | 121.2° | 120.0° |
| O21 | C23 | C21 | H33 | 19.8° | 175.0° |
| O21 | C23 | H35 | H36 | 121.1° | 120.0° |
| N4 | C17 | C16 | C18 | 72.9° | 65.0° |
| N4 | C17 | C16 | O14 | 37.9° | 175.0° |
| N4 | C17 | C16 | H24 | 166.6° | 55.0° |
| C17 | N4 | C21 | H33 | 38.3° | 35.0° |
| C17 | C16 | C18 | O14 | 108.3° | 120.0° |
| C17 | C16 | C18 | H24 | 121.0° | 120.0° |
| C17 | C16 | O14 | H24 | 127.2° | 120.0° |
| C17 | C16 | O14 | C13 | 178.1° | 153.0° |
| C16 | C17 | N4 | H8 | 3.1° | 0.0° |
| C17 | C16 | C18 | H26 | 180.0° | 175.2° |
| C17 | C16 | C18 | H27 | 60.0° | 64.7° |
| C17 | C16 | C18 | H28 | 60.0° | 55.2° |
| C18 | C16 | O14 | H24 | 128.8° | 120.0° |
| C18 | C16 | O14 | C13 | 78.0° | 87.0° |
| C16 | C18 | H26 | H27 | 120.0° | 120.0° |
| C16 | C18 | H26 | H28 | 120.0° | 120.0° |
| C16 | C18 | H27 | H28 | 120.0° | 120.0° |
| C16 | O14 | C13 | C14 | 101.8° | 99.9° |
| C16 | O14 | C13 | C12 | 140.6° | 140.6° |
| C16 | O14 | C13 | H19 | 22.1° | 20.3° |
| O14 | C16 | C18 | H26 | 71.7° | 55.2° |
| O14 | C16 | C18 | H27 | 168.3° | 175.3° |
| O14 | C16 | C18 | H28 | 48.3° | 64.8° |
| C20 | C19 | O18 | N3 | 179.7° | 179.9° |
| C20 | C19 | N3 | C14 | 179.9° | 180.0° |
| C20 | C19 | N3 | H2 | 0.1° | 0.0° |
| C19 | C20 | H30 | H31 | 120.0° | 120.0° |
| C19 | C20 | H30 | H32 | 120.0° | 120.0° |
| C19 | C20 | H31 | H32 | 120.0° | 120.0° |
| O14 | C13 | C14 | N3 | 70.3° | 63.2° |
| O14 | C13 | C14 | C12 | 115.5° | 119.8° |
| O14 | C13 | C14 | H19 | 123.9° | 120.2° |
| O14 | C13 | C12 | H19 | 118.8° | 120.3° |
| O14 | C13 | C14 | C10 | 173.4° | 176.8° |
| O14 | C13 | C12 | O15 | 49.5° | 63.3° |
| O14 | C13 | C12 | C11 | 174.6° | 176.8° |
| O14 | C13 | C12 | H18 | 68.7° | 56.9° |
| O14 | C13 | C14 | H20 | 52.0° | 56.9° |
| C13 | O14 | C16 | H24 | 50.9° | 33.0° |
| O18 | C19 | N3 | C14 | 0.3° | 0.1° |
| O18 | C19 | N3 | H2 | 179.6° | 180.0° |
| O18 | C19 | C20 | H30 | 0.0° | 0.0° |
| O18 | C19 | C20 | H31 | 120.0° | 120.0° |
| O18 | C19 | C20 | H32 | 120.0° | 120.0° |
| C19 | N3 | C14 | H2 | 180.0° | 179.9° |
| C19 | N3 | C14 | C13 | 141.7° | 153.3° |
| C19 | N3 | C14 | C10 | 98.7° | 87.1° |
| C19 | N3 | C14 | H20 | 18.9° | 33.1° |
| N3 | C19 | C20 | H30 | 179.7° | 180.0° |
| N3 | C19 | C20 | H31 | 59.7° | 60.0° |
| N3 | C19 | C20 | H32 | 60.3° | 60.1° |
| N3 | C14 | C13 | C10 | 116.2° | 119.9° |
| N3 | C14 | C13 | H20 | 122.3° | 120.1° |
| N3 | C14 | C13 | C12 | 174.2° | 176.9° |
| N3 | C14 | C10 | H20 | 117.4° | 120.2° |
| N3 | C14 | C10 | O12 | 49.7° | 57.5° |
| N3 | C14 | C10 | O13 | 170.7° | 177.5° |
| N3 | C14 | C10 | H15 | 68.8° | 62.5° |
| N3 | C14 | C13 | H19 | 53.6° | 57.0° |
| C14 | C13 | C12 | H19 | 120.9° | 119.9° |
| C13 | C14 | C10 | H20 | 121.9° | 119.9° |
| C14 | C13 | C12 | O15 | 169.9° | 176.9° |
| C14 | C13 | C12 | C11 | 65.0° | 57.0° |
| C13 | C14 | C10 | O12 | 71.0° | 62.4° |
| C13 | C14 | C10 | O13 | 50.0° | 57.6° |
| C13 | C14 | N3 | H2 | 38.3° | 26.8° |
| C13 | C14 | C10 | H15 | 170.5° | 177.6° |
| C14 | C13 | C12 | H18 | 51.7° | 62.9° |
| C12 | C13 | C14 | C10 | 58.0° | 57.0° |
| C13 | C12 | O15 | C11 | 124.2° | 119.6° |
| C13 | C12 | O15 | H18 | 117.5° | 120.2° |
| C13 | C12 | C11 | H18 | 116.8° | 119.9° |
| C13 | C12 | C11 | O13 | 61.1° | 57.7° |
| C13 | C12 | C11 | C15 | 178.8° | 177.6° |
| C13 | C12 | C11 | H17 | 58.9° | 62.4° |
| C12 | C13 | C14 | H20 | 63.5° | 62.9° |
| C13 | C12 | O15 | H23 | 180.0° | 179.7° |
| C14 | C10 | O12 | O13 | 122.3° | 120.0° |
| C14 | C10 | O12 | H15 | 116.8° | 120.0° |
| C14 | C10 | O12 | P2 | 146.9° | 150.0° |
| C14 | C10 | O13 | H15 | 120.4° | 120.0° |
| C14 | C10 | O13 | C11 | 48.2° | 61.2° |
| C10 | C14 | N3 | H2 | 81.4° | 92.9° |
| C10 | C14 | C13 | H19 | 62.6° | 62.9° |
| O15 | C12 | C11 | H18 | 119.0° | 120.2° |
| O15 | C12 | C11 | O13 | 174.7° | 177.6° |
| O15 | C12 | C11 | C15 | 54.6° | 62.5° |
| O15 | C12 | C11 | H17 | 65.3° | 57.5° |
| O15 | C12 | C13 | H19 | 69.3° | 57.0° |
| C12 | C11 | O13 | C10 | 52.2° | 61.2° |
| C12 | C11 | O13 | C15 | 120.2° | 119.9° |
| C12 | C11 | O13 | H17 | 119.4° | 120.1° |
| C12 | C11 | C15 | H17 | 119.9° | 120.0° |
| C12 | C11 | C15 | O16 | 49.9° | 175.0° |
| C11 | C12 | C13 | H19 | 55.8° | 62.9° |
| C12 | C11 | C15 | H21 | 169.6° | 55.1° |
| C12 | C11 | C15 | H22 | 69.8° | 64.9° |
| C11 | C12 | O15 | H23 | 55.8° | 60.1° |
| O12 | C10 | O13 | H15 | 122.2° | 120.0° |
| C10 | O12 | P2 | O11 | 167.3° | 55.0° |
| O12 | C10 | O13 | C11 | 69.1° | 58.8° |
| C10 | O12 | P2 | O10 | 49.2° | 65.1° |
| C10 | O12 | P2 | O7 | 73.6° | 175.0° |
| O12 | C10 | C14 | H20 | 167.1° | 177.7° |
| P2 | O12 | C10 | O13 | 90.7° | 90.0° |
| O12 | P2 | O11 | O10 | 122.4° | 120.0° |
| O12 | P2 | O11 | O7 | 117.7° | 120.0° |
| O12 | P2 | O10 | O7 | 119.9° | 120.0° |
| O12 | P2 | O7 | P1 | 105.8° | 160.0° |
| P2 | O12 | C10 | H15 | 30.1° | 30.0° |
| O12 | P2 | O10 | H16 | 122.2° | 60.0° |
| C10 | O13 | C11 | C15 | 172.4° | 178.9° |
| C10 | O13 | C11 | H17 | 67.2° | 58.9° |
| O13 | C10 | C14 | H20 | 71.9° | 62.3° |
| O11 | P2 | O10 | O7 | 117.9° | 120.0° |
| O11 | P2 | O7 | P1 | 133.0° | 40.0° |
| O11 | P2 | O10 | H16 | 0.0° | 179.9° |
| O13 | C11 | C15 | H17 | 120.9° | 120.1° |
| O13 | C11 | C15 | O16 | 69.3° | 65.1° |
| C11 | O13 | C10 | H15 | 168.7° | 178.8° |
| O13 | C11 | C12 | H18 | 55.7° | 62.2° |
| O13 | C11 | C15 | H21 | 50.4° | 175.0° |
| O13 | C11 | C15 | H22 | 171.0° | 55.0° |
| C11 | C15 | O16 | H21 | 119.7° | 119.9° |
| C11 | C15 | O16 | H22 | 119.7° | 120.1° |
| C15 | C11 | C12 | H18 | 64.4° | 57.7° |
| C11 | C15 | H21 | H22 | 120.9° | 120.1° |
| C11 | C15 | O16 | H25 | 180.0° | 180.0° |
| O10 | P2 | O7 | P1 | 17.4° | 80.1° |
| P2 | O7 | P1 | O8 | 62.5° | 45.0° |
| P2 | O7 | P1 | O6 | 63.7° | 165.0° |
| P2 | O7 | P1 | O9 | 177.7° | 75.1° |
| O7 | P2 | O10 | H16 | 117.9° | 59.9° |
| O16 | C15 | C11 | H17 | 169.8° | 55.0° |
| O16 | C15 | H21 | H22 | 120.9° | 120.0° |
| O7 | P1 | O8 | O6 | 120.9° | 120.0° |
| O7 | P1 | O8 | O9 | 118.8° | 120.0° |
| O7 | P1 | O6 | O9 | 119.4° | 120.0° |
| O7 | P1 | O6 | C9 | 128.5° | 175.0° |
| O7 | P1 | O9 | H14 | 118.7° | 59.9° |
| O8 | P1 | O6 | O9 | 117.8° | 120.0° |
| O8 | P1 | O6 | C9 | 5.6° | 55.0° |
| O8 | P1 | O9 | H14 | 0.0° | 180.0° |
| P1 | O6 | C9 | C8 | 158.8° | 180.0° |
| P1 | O6 | C9 | H12 | 39.1° | 60.1° |
| P1 | O6 | C9 | H13 | 81.5° | 59.9° |
| O6 | P1 | O9 | H14 | 124.4° | 60.0° |
| O9 | P1 | O6 | C9 | 112.2° | 65.0° |
| O1 | C1 | C4 | N1 | 180.0° | 179.9° |
| O1 | C1 | C4 | C3 | 179.8° | 179.6° |
| O1 | C1 | N1 | C2 | 179.4° | 179.9° |
| O1 | C1 | N1 | H1 | 0.6° | 0.3° |
| O1 | C1 | C4 | H3 | 0.2° | 0.1° |
| O6 | C9 | C8 | H12 | 119.7° | 119.9° |
| O6 | C9 | C8 | H13 | 119.7° | 120.0° |
| O6 | C9 | C8 | O3 | 50.8° | 66.4° |
| O6 | C9 | C8 | C7 | 68.6° | 175.7° |
| O6 | C9 | C8 | H11 | 171.9° | 54.7° |
| O6 | C9 | H12 | H13 | 120.8° | 120.0° |
| C9 | C8 | O3 | C7 | 124.3° | 119.5° |
| C9 | C8 | O3 | H11 | 121.9° | 121.1° |
| C9 | C8 | O3 | C5 | 124.9° | 145.9° |
| C9 | C8 | C7 | H11 | 121.0° | 121.1° |
| C9 | C8 | C7 | C6 | 100.5° | 121.5° |
| C9 | C8 | C7 | O5 | 141.9° | 119.9° |
| C9 | C8 | C7 | H10 | 23.4° | 2.7° |
| C8 | C9 | H12 | H13 | 120.8° | 120.1° |
| C1 | C4 | C3 | H3 | 180.0° | 179.5° |
| C4 | C1 | N1 | C2 | 0.6° | 0.0° |
| C1 | C4 | C3 | N2 | 0.9° | 0.7° |
| C4 | C1 | N1 | H1 | 179.4° | 179.7° |
| C1 | C4 | C3 | H7 | 179.1° | 180.0° |
| C3 | C4 | C1 | N1 | 0.2° | 0.5° |
| C4 | C3 | N2 | H7 | 180.0° | 179.3° |
| C4 | C3 | N2 | C2 | 0.8° | 0.5° |
| C4 | C3 | N2 | C5 | 178.3° | 179.5° |
| C1 | N1 | C2 | H1 | 180.0° | 179.7° |
| C1 | N1 | C2 | N2 | 0.7° | 0.2° |
| C1 | N1 | C2 | O2 | 179.5° | 179.7° |
| N1 | C1 | C4 | H3 | 179.8° | 180.0° |
| O3 | C8 | C7 | H11 | 114.7° | 119.4° |
| C8 | O3 | C5 | N2 | 141.5° | 158.6° |
| C8 | O3 | C5 | C6 | 18.6° | 40.0° |
| O3 | C8 | C7 | C6 | 23.8° | 2.0° |
| O3 | C8 | C7 | O5 | 93.8° | 120.7° |
| C8 | O3 | C5 | H5 | 96.9° | 78.5° |
| O3 | C8 | C7 | H10 | 147.7° | 116.7° |
| O3 | C8 | C9 | H12 | 170.5° | 53.5° |
| O3 | C8 | C9 | H13 | 69.0° | 173.6° |
| O3 | C5 | N2 | C3 | 65.8° | 49.2° |
| C5 | O3 | C8 | C7 | 0.6° | 26.5° |
| O3 | C5 | N2 | C2 | 111.6° | 130.8° |
| O3 | C5 | N2 | C6 | 118.3° | 114.2° |
| O3 | C5 | N2 | H5 | 122.6° | 123.0° |
| O3 | C5 | C6 | H5 | 118.4° | 118.5° |
| O3 | C5 | C6 | C7 | 36.2° | 37.0° |
| O3 | C5 | C6 | O4 | 158.6° | 155.2° |
| O3 | C5 | C6 | H6 | 83.8° | 81.2° |
| C5 | O3 | C8 | H11 | 113.2° | 92.9° |
| N1 | C2 | N2 | C3 | 0.0° | 0.0° |
| N1 | C2 | N2 | O2 | 178.7° | 180.0° |
| N1 | C2 | N2 | C5 | 177.3° | 180.0° |
| C3 | N2 | C2 | C5 | 177.3° | 180.0° |
| C3 | N2 | C2 | O2 | 178.6° | 180.0° |
| C3 | N2 | C5 | C6 | 52.5° | 65.0° |
| N2 | C3 | C4 | H3 | 179.1° | 179.8° |
| C3 | N2 | C5 | H5 | 171.5° | 172.1° |
| C8 | C7 | C6 | C5 | 33.3° | 20.9° |
| C8 | C7 | C6 | O5 | 112.7° | 118.7° |
| C8 | C7 | C6 | H10 | 120.1° | 118.7° |
| C8 | C7 | O5 | H10 | 117.5° | 122.6° |
| C8 | C7 | C6 | O4 | 151.8° | 139.1° |
| C8 | C7 | C6 | H6 | 82.7° | 97.4° |
| C8 | C7 | O5 | H9 | 180.0° | 176.2° |
| C7 | C8 | C9 | H12 | 51.2° | 64.3° |
| C7 | C8 | C9 | H13 | 171.7° | 55.7° |
| C2 | N2 | C5 | C6 | 130.1° | 115.0° |
| N2 | C2 | N1 | H1 | 179.3° | 179.9° |
| C2 | N2 | C5 | H5 | 11.1° | 7.8° |
| C2 | N2 | C3 | H7 | 179.2° | 179.8° |
| O2 | C2 | N2 | C5 | 1.3° | 0.0° |
| O2 | C2 | N1 | H1 | 0.5° | 0.0° |
| N2 | C5 | C6 | H5 | 120.6° | 122.8° |
| N2 | C5 | C6 | C7 | 157.2° | 155.7° |
| N2 | C5 | C6 | O4 | 80.4° | 86.1° |
| N2 | C5 | C6 | H6 | 37.2° | 37.4° |
| C5 | N2 | C3 | H7 | 1.7° | 0.2° |
| C5 | C6 | C7 | O4 | 118.5° | 118.2° |
| C5 | C6 | C7 | H6 | 116.1° | 118.3° |
| C5 | C6 | C7 | O5 | 79.4° | 97.8° |
| C5 | C6 | O4 | H6 | 116.2° | 123.6° |
| C5 | C6 | O4 | H4 | 180.0° | 180.0° |
| C5 | C6 | C7 | H10 | 153.5° | 139.7° |
| C6 | C7 | O5 | H10 | 129.5° | 122.6° |
| C7 | C6 | O4 | H6 | 127.3° | 123.6° |
| C7 | C6 | O4 | H4 | 63.5° | 67.3° |
| C7 | C6 | C5 | H5 | 82.2° | 81.5° |
| C6 | C7 | O5 | H9 | 67.0° | 61.5° |
| C6 | C7 | C8 | H11 | 138.5° | 117.4° |
| O5 | C7 | C6 | O4 | 39.1° | 20.4° |
| O5 | C7 | C6 | H6 | 164.6° | 143.9° |
| O5 | C7 | C8 | H11 | 21.0° | 1.3° |
| O4 | C6 | C5 | H5 | 40.2° | 36.7° |
| O4 | C6 | C7 | H10 | 88.0° | 102.1° |
| H2 | N3 | C14 | H20 | 161.1° | 146.9° |
| H3 | C4 | C3 | H7 | 0.9° | 0.5° |
| H4 | O4 | C6 | H6 | 63.8° | 56.3° |
| H5 | C5 | C6 | H6 | 157.8° | 160.3° |
| H6 | C6 | C7 | H10 | 37.4° | 21.4° |
| H8 | N4 | C21 | H33 | 141.7° | 144.9° |
| H9 | O5 | C7 | H10 | 62.5° | 61.1° |
| H10 | C7 | C8 | H11 | 97.5° | 123.9° |
| H11 | C8 | C9 | H12 | 68.3° | 174.6° |
| H11 | C8 | C9 | H13 | 52.2° | 65.4° |
| H15 | C10 | C14 | H20 | 48.6° | 57.6° |
| H17 | C11 | C12 | H18 | 175.7° | 177.7° |
| H17 | C11 | C15 | H21 | 70.5° | 64.9° |
| H17 | C11 | C15 | H22 | 50.1° | 175.0° |
| H18 | C12 | C13 | H19 | 172.5° | 177.2° |
| H18 | C12 | O15 | H23 | 62.5° | 60.1° |
| H19 | C13 | C14 | H20 | 175.9° | 177.1° |
| H21 | C15 | O16 | H25 | 60.3° | 60.1° |
| H22 | C15 | O16 | H25 | 60.3° | 59.9° |
| H24 | C16 | C18 | H26 | 59.0° | 64.8° |
| H24 | C16 | C18 | H27 | 61.1° | 55.3° |
| H24 | C16 | C18 | H28 | 179.0° | 175.2° |
| H26 | C18 | H27 | H28 | 120.0° | 120.0° |
| H30 | C20 | H31 | H32 | 120.0° | 120.0° |
| H33 | C21 | C23 | H35 | 99.8° | 55.0° |
| H33 | C21 | C23 | H36 | 139.4° | 65.0° |
| H34 | O21 | C23 | H35 | 60.4° | 60.0° |
| H34 | O21 | C23 | H36 | 60.4° | 60.0° |
