8I5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N6 | C6 | sing | 1.47Å | 1.47Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| CH3 | N9 | sing | 1.47Å | 1.48Å | |
| O4 | C4 | sing | 1.43Å | 1.44Å | |
| N9 | C9 | sing | 1.47Å | 1.48Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| C5 | O5 | sing | 1.43Å | 1.43Å | |
| C4 | C3 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| O5 | C1 | sing | 1.43Å | 1.44Å | |
| C3 | O3 | sing | 1.43Å | 1.44Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C10 | O1 | sing | 1.43Å | 1.43Å | |
| C10 | C11 | sing | 1.53Å | 1.54Å | |
| O1 | C1 | sing | 1.43Å | 1.43Å | |
| N7 | C7 | sing | 1.47Å | 1.48Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C7 | C12 | sing | 1.53Å | 1.53Å | |
| C2 | N2 | sing | 1.47Å | 1.48Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C12 | O12 | sing | 1.43Å | 1.44Å | |
| C11 | O11 | sing | 1.43Å | 1.44Å | |
| O11 | C13 | sing | 1.43Å | 1.43Å | |
| O17 | C17 | sing | 1.43Å | 1.43Å | |
| C13 | O16 | sing | 1.44Å | 1.43Å | |
| C13 | C14 | sing | 1.55Å | 1.53Å | |
| O16 | C16 | sing | 1.44Å | 1.43Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.54Å | 1.53Å | |
| N23 | C19 | sing | 1.47Å | 1.48Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C19 | C18 | sing | 1.53Å | 1.55Å | |
| C14 | C15 | sing | 1.54Å | 1.53Å | |
| C14 | O14 | sing | 1.43Å | 1.43Å | |
| O20 | C20 | sing | 1.43Å | 1.44Å | |
| O18 | C15 | sing | 1.43Å | 1.43Å | |
| O18 | C18 | sing | 1.43Å | 1.44Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C18 | O22 | sing | 1.43Å | 1.45Å | |
| C23 | N19 | sing | 1.47Å | 1.48Å | |
| C23 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | O21 | sing | 1.43Å | 1.43Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| O22 | C22 | sing | 1.43Å | 1.44Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C12 | H7 | sing | 1.09Å | 1.10Å | |
| C13 | H8 | sing | 1.09Å | 1.10Å | |
| CH3 | H9 | sing | 1.09Å | 1.10Å | |
| CH3 | H10 | sing | 1.09Å | 1.10Å | |
| CH3 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C22 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C3 | H24 | sing | 1.09Å | 1.10Å | |
| C4 | H25 | sing | 1.09Å | 1.10Å | |
| C5 | H26 | sing | 1.09Å | 1.10Å | |
| C7 | H27 | sing | 1.09Å | 1.10Å | |
| C8 | H28 | sing | 1.09Å | 1.10Å | |
| C8 | H29 | sing | 1.09Å | 1.10Å | |
| C9 | H30 | sing | 1.09Å | 1.10Å | |
| N19 | H31 | sing | 1.01Å | 1.00Å | |
| N19 | H32 | sing | 1.01Å | 1.00Å | |
| N2 | H34 | sing | 1.01Å | 1.00Å | |
| N2 | H35 | sing | 1.01Å | 1.00Å | |
| N23 | H37 | sing | 1.01Å | 1.00Å | |
| N23 | H38 | sing | 1.01Å | 1.00Å | |
| N6 | H40 | sing | 1.01Å | 1.00Å | |
| N6 | H41 | sing | 1.01Å | 1.00Å | |
| N7 | H43 | sing | 1.01Å | 1.00Å | |
| N7 | H44 | sing | 1.01Å | 1.00Å | |
| N9 | H46 | sing | 1.01Å | 1.00Å | |
| O12 | H48 | sing | 0.97Å | 0.95Å | |
| O14 | H49 | sing | 0.97Å | 0.95Å | |
| O17 | H50 | sing | 0.97Å | 0.95Å | |
| O20 | H51 | sing | 0.97Å | 0.95Å | |
| O21 | H52 | sing | 0.97Å | 0.95Å | |
| O3 | H53 | sing | 0.97Å | 0.95Å | |
| O4 | H54 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N6 | C6 | C5 | 107.2° | 109.5° |
| N6 | C6 | H1 | 110.0° | 109.5° |
| N6 | C6 | H2 | 110.0° | 109.5° |
| C6 | N6 | H40 | 109.5° | 111.0° |
| C6 | N6 | H41 | 109.4° | 111.0° |
| C6 | C5 | C4 | 112.2° | 109.5° |
| C6 | C5 | O5 | 110.0° | 109.4° |
| C5 | C6 | H1 | 110.1° | 109.4° |
| C5 | C6 | H2 | 110.0° | 109.5° |
| C6 | C5 | H26 | 108.0° | 109.5° |
| CH3 | N9 | C9 | 110.1° | 111.0° |
| N9 | CH3 | H9 | 109.5° | 109.5° |
| N9 | CH3 | H10 | 109.5° | 109.5° |
| N9 | CH3 | H11 | 109.5° | 109.5° |
| CH3 | N9 | H46 | 109.3° | 111.0° |
| O4 | C4 | C5 | 110.1° | 109.5° |
| O4 | C4 | C3 | 109.9° | 109.5° |
| O4 | C4 | H25 | 109.9° | 109.5° |
| C4 | O4 | H54 | 109.5° | 114.0° |
| N9 | C9 | C8 | 110.0° | 109.5° |
| N9 | C9 | C10 | 111.2° | 109.5° |
| N9 | C9 | H30 | 108.2° | 109.5° |
| C9 | N9 | H46 | 109.3° | 111.0° |
| C4 | C5 | O5 | 109.5° | 109.4° |
| C5 | C4 | C3 | 109.4° | 109.2° |
| C5 | C4 | H25 | 108.7° | 109.5° |
| C4 | C5 | H26 | 107.9° | 109.5° |
| C5 | O5 | C1 | 113.4° | 114.1° |
| O5 | C5 | H26 | 109.2° | 109.5° |
| C4 | C3 | O3 | 110.4° | 109.6° |
| C4 | C3 | C2 | 111.9° | 109.0° |
| C4 | C3 | H24 | 107.8° | 109.6° |
| C3 | C4 | H25 | 108.7° | 109.6° |
| C9 | C8 | C7 | 108.8° | 109.5° |
| C8 | C9 | C10 | 112.0° | 109.5° |
| C9 | C8 | H28 | 109.7° | 109.5° |
| C9 | C8 | H29 | 109.6° | 109.5° |
| C8 | C9 | H30 | 107.7° | 109.5° |
| C8 | C7 | N7 | 109.6° | 109.5° |
| C8 | C7 | C12 | 109.6° | 109.5° |
| C8 | C7 | H27 | 108.6° | 109.5° |
| C7 | C8 | H28 | 109.6° | 109.5° |
| C7 | C8 | H29 | 109.6° | 109.5° |
| C9 | C10 | O1 | 106.3° | 109.5° |
| C9 | C10 | C11 | 112.0° | 109.5° |
| C9 | C10 | H6 | 108.3° | 109.5° |
| C10 | C9 | H30 | 107.6° | 109.5° |
| O5 | C1 | O1 | 111.9° | 109.5° |
| O5 | C1 | C2 | 113.2° | 109.4° |
| O5 | C1 | H12 | 108.3° | 109.5° |
| O3 | C3 | C2 | 109.8° | 109.5° |
| O3 | C3 | H24 | 109.0° | 109.6° |
| C3 | O3 | H53 | 109.5° | 113.9° |
| C3 | C2 | C1 | 112.0° | 109.2° |
| C3 | C2 | N2 | 110.9° | 109.5° |
| C3 | C2 | H18 | 107.7° | 109.6° |
| C2 | C3 | H24 | 107.8° | 109.5° |
| O1 | C10 | C11 | 112.1° | 109.5° |
| C10 | O1 | C1 | 116.5° | 114.0° |
| O1 | C10 | H6 | 109.8° | 109.4° |
| C10 | C11 | C12 | 111.0° | 109.4° |
| C10 | C11 | O11 | 112.0° | 109.5° |
| C11 | C10 | H6 | 108.3° | 109.5° |
| C10 | C11 | H13 | 108.2° | 109.5° |
| O1 | C1 | C2 | 107.7° | 109.5° |
| O1 | C1 | H12 | 108.4° | 109.5° |
| N7 | C7 | C12 | 111.3° | 109.5° |
| N7 | C7 | H27 | 109.2° | 109.5° |
| C7 | N7 | H43 | 109.5° | 111.0° |
| C7 | N7 | H44 | 109.5° | 111.0° |
| C1 | C2 | N2 | 110.1° | 109.5° |
| C2 | C1 | H12 | 107.1° | 109.5° |
| C1 | C2 | H18 | 107.6° | 109.6° |
| C7 | C12 | C11 | 111.9° | 109.5° |
| C7 | C12 | O12 | 110.2° | 109.5° |
| C7 | C12 | H7 | 107.9° | 109.5° |
| C12 | C7 | H27 | 108.5° | 109.5° |
| N2 | C2 | H18 | 108.4° | 109.5° |
| C2 | N2 | H34 | 109.5° | 111.0° |
| C2 | N2 | H35 | 109.4° | 111.0° |
| C11 | C12 | O12 | 109.8° | 109.4° |
| C12 | C11 | O11 | 107.8° | 109.5° |
| C11 | C12 | H7 | 107.9° | 109.5° |
| C12 | C11 | H13 | 108.3° | 109.5° |
| O12 | C12 | H7 | 109.1° | 109.5° |
| C12 | O12 | H48 | 109.5° | 114.0° |
| C11 | O11 | C13 | 116.3° | 114.0° |
| O11 | C11 | H13 | 109.6° | 109.5° |
| O11 | C13 | O16 | 107.8° | 110.4° |
| O11 | C13 | C14 | 109.7° | 110.4° |
| O11 | C13 | H8 | 112.0° | 110.3° |
| O17 | C17 | C16 | 107.0° | 109.5° |
| O17 | C17 | H14 | 110.1° | 109.4° |
| O17 | C17 | H15 | 110.1° | 109.4° |
| C17 | O17 | H50 | 109.5° | 114.0° |
| O16 | C13 | C14 | 104.2° | 104.8° |
| C13 | O16 | C16 | 106.2° | 105.3° |
| O16 | C13 | H8 | 112.2° | 110.4° |
| C13 | C14 | C15 | 105.9° | 104.1° |
| C13 | C14 | O14 | 111.5° | 110.5° |
| C13 | C14 | H3 | 108.9° | 110.6° |
| C14 | C13 | H8 | 110.6° | 110.4° |
| O16 | C16 | C17 | 111.4° | 110.4° |
| O16 | C16 | C15 | 102.9° | 104.8° |
| O16 | C16 | H5 | 109.2° | 110.5° |
| C17 | C16 | C15 | 117.2° | 110.4° |
| C17 | C16 | H5 | 108.0° | 110.3° |
| C16 | C17 | H14 | 110.1° | 109.4° |
| C16 | C17 | H15 | 110.1° | 109.5° |
| C16 | C15 | C14 | 101.2° | 104.1° |
| C16 | C15 | O18 | 113.5° | 110.6° |
| C16 | C15 | H4 | 110.1° | 110.5° |
| C15 | C16 | H5 | 107.9° | 110.4° |
| N23 | C19 | C20 | 109.5° | 109.5° |
| N23 | C19 | C18 | 111.3° | 109.5° |
| N23 | C19 | H17 | 106.8° | 109.6° |
| C19 | N23 | H37 | 109.5° | 111.0° |
| C19 | N23 | H38 | 109.4° | 111.0° |
| C20 | C19 | C18 | 116.4° | 109.1° |
| C19 | C20 | O20 | 109.5° | 109.6° |
| C19 | C20 | C21 | 113.1° | 109.1° |
| C20 | C19 | H17 | 106.2° | 109.5° |
| C19 | C20 | H19 | 107.5° | 109.5° |
| C19 | C18 | O18 | 109.2° | 109.4° |
| C19 | C18 | O22 | 118.0° | 109.4° |
| C19 | C18 | H16 | 105.8° | 109.5° |
| C18 | C19 | H17 | 106.0° | 109.5° |
| C15 | C14 | O14 | 111.2° | 110.5° |
| C14 | C15 | O18 | 110.1° | 110.5° |
| C15 | C14 | H3 | 108.9° | 110.6° |
| C14 | C15 | H4 | 110.1° | 110.5° |
| O14 | C14 | H3 | 110.3° | 110.4° |
| C14 | O14 | H49 | 109.5° | 114.0° |
| O20 | C20 | C21 | 110.1° | 109.6° |
| O20 | C20 | H19 | 108.8° | 109.6° |
| C20 | O20 | H51 | 109.5° | 114.0° |
| C15 | O18 | C18 | 114.8° | 114.0° |
| O18 | C15 | H4 | 111.5° | 110.5° |
| O18 | C18 | O22 | 109.4° | 109.5° |
| O18 | C18 | H16 | 107.0° | 109.5° |
| C20 | C21 | O21 | 110.7° | 109.5° |
| C20 | C21 | C22 | 109.1° | 109.1° |
| C21 | C20 | H19 | 107.7° | 109.5° |
| C20 | C21 | H20 | 108.5° | 109.5° |
| C18 | O22 | C22 | 119.4° | 114.1° |
| O22 | C18 | H16 | 106.9° | 109.5° |
| N19 | C23 | C22 | 110.9° | 109.5° |
| N19 | C23 | H22 | 109.1° | 109.5° |
| N19 | C23 | H23 | 109.1° | 109.5° |
| C23 | N19 | H31 | 109.5° | 111.0° |
| C23 | N19 | H32 | 109.5° | 111.0° |
| C23 | C22 | C21 | 113.5° | 109.5° |
| C23 | C22 | O22 | 111.7° | 109.5° |
| C23 | C22 | H21 | 107.4° | 109.5° |
| C22 | C23 | H22 | 109.1° | 109.5° |
| C22 | C23 | H23 | 109.1° | 109.4° |
| O21 | C21 | C22 | 110.4° | 109.5° |
| O21 | C21 | H20 | 109.7° | 109.5° |
| C21 | O21 | H52 | 109.5° | 114.0° |
| C21 | C22 | O22 | 108.0° | 109.5° |
| C22 | C21 | H20 | 108.5° | 109.7° |
| C21 | C22 | H21 | 107.5° | 109.5° |
| O22 | C22 | H21 | 108.6° | 109.5° |
| H1 | C6 | H2 | 109.5° | 109.4° |
| H9 | CH3 | H10 | 109.5° | 109.4° |
| H9 | CH3 | H11 | 109.5° | 109.5° |
| H10 | CH3 | H11 | 109.4° | 109.5° |
| H14 | C17 | H15 | 109.5° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H28 | C8 | H29 | 109.5° | 109.4° |
| H31 | N19 | H32 | 109.4° | 111.0° |
| H34 | N2 | H35 | 109.5° | 111.0° |
| H37 | N23 | H38 | 109.4° | 111.0° |
| H40 | N6 | H41 | 109.4° | 111.0° |
| H43 | N7 | H44 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N6 | C6 | C5 | H1 | 119.6° | 120.0° |
| N6 | C6 | C5 | H2 | 119.6° | 120.1° |
| N6 | C6 | C5 | C4 | 119.6° | 173.8° |
| N6 | C6 | C5 | O5 | 118.2° | 66.3° |
| N6 | C6 | H1 | H2 | 121.1° | 120.0° |
| N6 | C6 | C5 | H26 | 0.8° | 53.7° |
| C6 | N6 | H40 | H41 | 120.0° | 123.9° |
| C6 | C5 | C4 | O4 | 56.1° | 62.5° |
| C6 | C5 | C4 | O5 | 122.4° | 120.0° |
| C6 | C5 | C4 | H26 | 118.8° | 120.1° |
| C6 | C5 | O5 | H26 | 118.3° | 120.0° |
| C6 | C5 | C4 | C3 | 177.0° | 177.6° |
| C6 | C5 | O5 | C1 | 173.6° | 178.9° |
| C5 | C6 | H1 | H2 | 121.1° | 120.0° |
| C6 | C5 | C4 | H25 | 64.4° | 57.6° |
| C5 | C6 | N6 | H40 | 180.0° | 174.1° |
| C5 | C6 | N6 | H41 | 60.0° | 61.9° |
| CH3 | N9 | C9 | H46 | 120.1° | 123.9° |
| CH3 | N9 | C9 | C8 | 53.6° | 61.8° |
| CH3 | N9 | C9 | C10 | 178.2° | 178.2° |
| N9 | CH3 | H9 | H10 | 120.0° | 120.0° |
| N9 | CH3 | H9 | H11 | 120.0° | 120.0° |
| N9 | CH3 | H10 | H11 | 120.0° | 120.0° |
| CH3 | N9 | C9 | H30 | 63.8° | 58.2° |
| O4 | C4 | C5 | C3 | 121.0° | 119.9° |
| O4 | C4 | C5 | H25 | 120.5° | 120.1° |
| O4 | C4 | C5 | O5 | 178.5° | 177.6° |
| O4 | C4 | C3 | H25 | 120.3° | 120.1° |
| O4 | C4 | C3 | O3 | 63.4° | 63.2° |
| O4 | C4 | C3 | C2 | 174.0° | 176.9° |
| O4 | C4 | C3 | H24 | 55.6° | 57.1° |
| O4 | C4 | C5 | H26 | 62.8° | 57.6° |
| N9 | C9 | C8 | C10 | 124.1° | 120.0° |
| N9 | C9 | C8 | H30 | 117.8° | 120.0° |
| N9 | C9 | C8 | C7 | 176.9° | 180.0° |
| N9 | C9 | C10 | H30 | 118.4° | 120.0° |
| N9 | C9 | C10 | O1 | 60.4° | 60.0° |
| N9 | C9 | C10 | C11 | 176.8° | 180.0° |
| N9 | C9 | C10 | H6 | 57.5° | 60.0° |
| C9 | N9 | CH3 | H9 | 180.0° | 174.5° |
| C9 | N9 | CH3 | H10 | 60.0° | 54.5° |
| C9 | N9 | CH3 | H11 | 60.0° | 65.5° |
| N9 | C9 | C8 | H28 | 57.1° | 60.0° |
| N9 | C9 | C8 | H29 | 63.2° | 60.0° |
| C4 | C5 | O5 | H26 | 118.0° | 120.0° |
| C5 | C4 | C3 | H25 | 118.6° | 119.9° |
| C4 | C5 | O5 | C1 | 62.6° | 61.1° |
| C5 | C4 | C3 | O3 | 175.5° | 176.8° |
| C5 | C4 | C3 | C2 | 52.9° | 57.0° |
| C4 | C5 | C6 | H1 | 120.7° | 53.8° |
| C4 | C5 | C6 | H2 | 0.0° | 66.1° |
| C5 | C4 | C3 | H24 | 65.5° | 62.9° |
| C5 | C4 | O4 | H54 | 180.0° | 179.7° |
| O5 | C5 | C4 | C3 | 60.6° | 57.6° |
| C5 | O5 | C1 | O1 | 66.6° | 58.9° |
| C5 | O5 | C1 | C2 | 55.3° | 61.1° |
| O5 | C5 | C6 | H1 | 1.4° | 173.7° |
| O5 | C5 | C6 | H2 | 122.2° | 53.8° |
| C5 | O5 | C1 | H12 | 173.9° | 178.9° |
| O5 | C5 | C4 | H25 | 58.0° | 62.3° |
| C4 | C3 | O3 | C2 | 123.8° | 119.5° |
| C4 | C3 | O3 | H24 | 118.3° | 120.3° |
| C4 | C3 | C2 | H24 | 118.4° | 119.9° |
| C4 | C3 | C2 | C1 | 45.5° | 56.9° |
| C4 | C3 | C2 | N2 | 77.9° | 62.9° |
| C4 | C3 | C2 | H18 | 163.7° | 176.9° |
| C3 | C4 | C5 | H26 | 58.2° | 62.3° |
| C4 | C3 | O3 | H53 | 180.0° | 60.5° |
| C3 | C4 | O4 | H54 | 59.3° | 60.0° |
| C9 | C8 | C7 | H28 | 119.9° | 120.0° |
| C9 | C8 | C7 | H29 | 119.9° | 120.0° |
| C8 | C9 | C10 | H30 | 118.2° | 120.0° |
| C8 | C9 | C10 | O1 | 176.1° | 180.0° |
| C8 | C9 | C10 | C11 | 53.3° | 60.0° |
| C9 | C8 | C7 | N7 | 176.0° | 180.0° |
| C9 | C8 | C7 | C12 | 61.5° | 60.0° |
| C8 | C9 | C10 | H6 | 66.0° | 60.0° |
| C9 | C8 | C7 | H27 | 56.9° | 60.0° |
| C9 | C8 | H28 | H29 | 120.3° | 120.0° |
| C8 | C9 | N9 | H46 | 66.5° | 62.2° |
| C7 | C8 | C9 | C10 | 58.9° | 60.0° |
| C8 | C7 | N7 | C12 | 121.4° | 120.0° |
| C8 | C7 | N7 | H27 | 118.8° | 120.0° |
| C8 | C7 | C12 | H27 | 118.4° | 120.0° |
| C8 | C7 | C12 | C11 | 60.0° | 60.0° |
| C8 | C7 | C12 | O12 | 177.6° | 180.0° |
| C8 | C7 | C12 | H7 | 58.5° | 60.0° |
| C7 | C8 | H28 | H29 | 120.3° | 120.0° |
| C7 | C8 | C9 | H30 | 59.2° | 60.0° |
| C8 | C7 | N7 | H43 | 180.0° | 60.0° |
| C8 | C7 | N7 | H44 | 60.0° | 64.0° |
| C9 | C10 | O1 | C11 | 122.7° | 120.0° |
| C9 | C10 | O1 | H6 | 117.0° | 120.0° |
| C9 | C10 | C11 | H6 | 119.4° | 120.0° |
| C9 | C10 | O1 | C1 | 160.8° | 151.5° |
| C9 | C10 | C11 | C12 | 49.6° | 60.0° |
| C9 | C10 | C11 | O11 | 170.1° | 180.0° |
| C9 | C10 | C11 | H13 | 69.1° | 60.0° |
| C10 | C9 | C8 | H28 | 178.8° | 60.0° |
| C10 | C9 | C8 | H29 | 61.0° | 180.0° |
| C10 | C9 | N9 | H46 | 58.1° | 57.8° |
| O5 | C1 | C2 | C3 | 45.7° | 57.5° |
| O5 | C1 | O1 | C10 | 65.7° | 72.0° |
| O5 | C1 | O1 | C2 | 125.1° | 119.9° |
| O5 | C1 | O1 | H12 | 119.4° | 120.1° |
| O5 | C1 | C2 | H12 | 119.3° | 120.0° |
| O5 | C1 | C2 | N2 | 78.2° | 62.3° |
| O5 | C1 | C2 | H18 | 163.9° | 177.6° |
| C1 | O5 | C5 | H26 | 55.3° | 58.8° |
| O3 | C3 | C2 | H24 | 118.7° | 120.2° |
| O3 | C3 | C2 | C1 | 168.5° | 176.8° |
| O3 | C3 | C2 | N2 | 45.1° | 56.9° |
| O3 | C3 | C2 | H18 | 73.3° | 63.2° |
| O3 | C3 | C4 | H25 | 56.9° | 56.9° |
| C3 | C2 | C1 | O1 | 78.6° | 62.4° |
| C3 | C2 | C1 | N2 | 123.9° | 119.9° |
| C3 | C2 | C1 | H18 | 118.2° | 120.0° |
| C3 | C2 | N2 | H18 | 118.0° | 120.2° |
| C3 | C2 | C1 | H12 | 165.0° | 177.6° |
| C2 | C3 | C4 | H25 | 65.7° | 62.9° |
| C3 | C2 | N2 | H34 | 180.0° | 179.7° |
| C3 | C2 | N2 | H35 | 60.0° | 55.8° |
| C2 | C3 | O3 | H53 | 56.2° | 180.0° |
| O1 | C10 | C11 | H6 | 121.2° | 120.0° |
| C10 | O1 | C1 | C2 | 169.2° | 168.1° |
| O1 | C10 | C11 | C12 | 169.0° | 180.0° |
| O1 | C10 | C11 | O11 | 70.5° | 60.0° |
| C10 | O1 | C1 | H12 | 53.6° | 48.1° |
| O1 | C10 | C11 | H13 | 50.3° | 60.0° |
| O1 | C10 | C9 | H30 | 57.9° | 60.0° |
| C11 | C10 | O1 | C1 | 76.5° | 88.5° |
| C10 | C11 | C12 | C7 | 53.4° | 60.0° |
| C10 | C11 | C12 | O11 | 123.0° | 120.0° |
| C10 | C11 | C12 | H13 | 118.6° | 120.0° |
| C10 | C11 | C12 | O12 | 176.1° | 180.0° |
| C10 | C11 | O11 | H13 | 120.0° | 120.0° |
| C10 | C11 | O11 | C13 | 130.5° | 150.0° |
| C10 | C11 | C12 | H7 | 65.1° | 60.0° |
| C11 | C10 | C9 | H30 | 64.8° | 60.0° |
| O1 | C1 | C2 | H12 | 116.4° | 120.0° |
| O1 | C1 | C2 | N2 | 157.5° | 177.7° |
| C1 | O1 | C10 | H6 | 43.9° | 31.5° |
| O1 | C1 | C2 | H18 | 39.6° | 57.6° |
| N7 | C7 | C12 | H27 | 120.2° | 120.0° |
| N7 | C7 | C12 | C11 | 178.6° | 180.0° |
| N7 | C7 | C12 | O12 | 56.2° | 60.0° |
| N7 | C7 | C12 | H7 | 62.9° | 60.0° |
| N7 | C7 | C8 | H28 | 56.1° | 60.0° |
| N7 | C7 | C8 | H29 | 64.1° | 60.0° |
| C7 | N7 | H43 | H44 | 120.0° | 124.0° |
| C1 | C2 | N2 | H18 | 117.5° | 120.2° |
| C1 | C2 | C3 | H24 | 72.8° | 63.0° |
| C1 | C2 | N2 | H34 | 55.4° | 60.0° |
| C1 | C2 | N2 | H35 | 64.6° | 63.9° |
| C7 | C12 | C11 | O12 | 122.7° | 120.0° |
| C7 | C12 | C11 | H7 | 118.5° | 120.0° |
| C7 | C12 | O12 | H7 | 118.4° | 120.0° |
| C7 | C12 | C11 | O11 | 176.4° | 180.0° |
| C7 | C12 | C11 | H13 | 65.2° | 60.0° |
| C12 | C7 | C8 | H28 | 178.6° | 60.0° |
| C12 | C7 | C8 | H29 | 58.4° | 180.0° |
| C12 | C7 | N7 | H43 | 58.6° | 180.0° |
| C12 | C7 | N7 | H44 | 178.6° | 56.0° |
| C7 | C12 | O12 | H48 | 180.0° | 60.0° |
| N2 | C2 | C1 | H12 | 41.1° | 57.7° |
| N2 | C2 | C3 | H24 | 163.7° | 177.1° |
| C2 | N2 | H34 | H35 | 120.0° | 123.9° |
| C11 | C12 | O12 | H7 | 118.0° | 120.0° |
| C12 | C11 | O11 | H13 | 117.6° | 120.0° |
| C12 | C11 | O11 | C13 | 107.1° | 90.1° |
| C12 | C11 | C10 | H6 | 69.8° | 60.0° |
| C11 | C12 | C7 | H27 | 58.5° | 60.0° |
| C11 | C12 | O12 | H48 | 56.4° | 180.0° |
| O12 | C12 | C11 | O11 | 61.0° | 60.0° |
| O12 | C12 | C11 | H13 | 57.5° | 60.0° |
| O12 | C12 | C7 | H27 | 64.0° | 60.0° |
| C11 | O11 | C13 | O16 | 115.4° | 66.4° |
| C11 | O11 | C13 | C14 | 131.7° | 178.2° |
| O11 | C11 | C10 | H6 | 50.7° | 60.0° |
| O11 | C11 | C12 | H7 | 57.8° | 60.0° |
| C11 | O11 | C13 | H8 | 8.5° | 55.8° |
| O11 | C13 | O16 | C14 | 116.5° | 118.9° |
| O11 | C13 | O16 | H8 | 123.8° | 122.3° |
| O11 | C13 | C14 | H8 | 124.1° | 122.3° |
| O11 | C13 | O16 | C16 | 82.4° | 78.3° |
| O11 | C13 | C14 | C15 | 106.0° | 94.9° |
| O11 | C13 | C14 | O14 | 132.9° | 146.5° |
| O11 | C13 | C14 | H3 | 11.0° | 23.9° |
| C13 | O11 | C11 | H13 | 10.5° | 30.0° |
| O17 | C17 | C16 | O16 | 132.7° | 69.6° |
| O17 | C17 | C16 | H14 | 119.6° | 120.0° |
| O17 | C17 | C16 | H15 | 119.6° | 120.0° |
| O17 | C17 | C16 | C15 | 109.1° | 175.0° |
| O17 | C17 | C16 | H5 | 12.8° | 52.8° |
| O17 | C17 | H14 | H15 | 121.2° | 120.0° |
| O16 | C13 | C14 | H8 | 120.7° | 118.8° |
| C13 | O16 | C16 | C17 | 172.2° | 159.4° |
| C13 | O16 | C16 | C15 | 45.8° | 40.5° |
| O16 | C13 | C14 | C15 | 9.1° | 24.0° |
| O16 | C13 | C14 | O14 | 111.9° | 94.7° |
| O16 | C13 | C14 | H3 | 126.2° | 142.7° |
| C13 | O16 | C16 | H5 | 68.6° | 78.3° |
| C14 | C13 | O16 | C16 | 34.2° | 40.5° |
| C13 | C14 | C15 | C16 | 16.8° | 0.0° |
| C13 | C14 | C15 | O14 | 121.3° | 118.7° |
| C13 | C14 | C15 | H3 | 117.0° | 118.8° |
| C13 | C14 | O14 | H3 | 121.1° | 122.7° |
| C13 | C14 | C15 | O18 | 137.1° | 118.8° |
| C13 | C14 | C15 | H4 | 99.6° | 118.6° |
| C13 | C14 | O14 | H49 | 180.0° | 65.3° |
| O16 | C16 | C17 | C15 | 118.2° | 115.4° |
| O16 | C16 | C17 | H5 | 119.9° | 122.4° |
| O16 | C16 | C15 | H5 | 115.4° | 118.9° |
| O16 | C16 | C15 | C14 | 37.3° | 24.0° |
| O16 | C16 | C15 | O18 | 155.2° | 142.7° |
| O16 | C16 | C15 | H4 | 79.1° | 94.6° |
| C16 | O16 | C13 | H8 | 153.8° | 159.4° |
| O16 | C16 | C17 | H14 | 107.6° | 50.4° |
| O16 | C16 | C17 | H15 | 13.1° | 170.4° |
| C17 | C16 | C15 | H5 | 122.0° | 122.2° |
| C17 | C16 | C15 | C14 | 160.0° | 142.8° |
| C17 | C16 | C15 | O18 | 82.2° | 98.4° |
| C17 | C16 | C15 | H4 | 43.5° | 24.2° |
| C16 | C17 | H14 | H15 | 121.1° | 120.1° |
| C16 | C17 | O17 | H50 | 180.0° | 180.0° |
| C16 | C15 | C14 | O18 | 120.3° | 118.8° |
| C16 | C15 | C14 | H4 | 116.4° | 118.6° |
| C16 | C15 | C14 | O14 | 138.1° | 118.6° |
| C16 | C15 | O18 | H4 | 124.9° | 122.7° |
| C16 | C15 | O18 | C18 | 90.6° | 153.8° |
| C16 | C15 | C14 | H3 | 100.1° | 118.8° |
| C15 | C16 | C17 | H14 | 10.5° | 65.1° |
| C15 | C16 | C17 | H15 | 131.3° | 55.0° |
| N23 | C19 | C20 | C18 | 127.3° | 119.9° |
| N23 | C19 | C20 | H17 | 115.0° | 120.2° |
| N23 | C19 | C18 | H17 | 115.8° | 120.2° |
| N23 | C19 | C20 | O20 | 18.7° | 57.0° |
| N23 | C19 | C18 | O18 | 113.8° | 62.5° |
| N23 | C19 | C20 | C21 | 104.5° | 176.9° |
| N23 | C19 | C18 | O22 | 120.5° | 177.5° |
| N23 | C19 | C18 | H16 | 1.1° | 57.5° |
| N23 | C19 | C20 | H19 | 136.7° | 63.3° |
| C19 | N23 | H37 | H38 | 120.0° | 123.9° |
| C20 | C19 | C18 | H17 | 117.8° | 119.9° |
| C19 | C20 | O20 | C21 | 125.0° | 119.6° |
| C19 | C20 | O20 | H19 | 117.2° | 120.2° |
| C20 | C19 | C18 | O18 | 119.8° | 177.6° |
| C19 | C20 | C21 | H19 | 118.7° | 119.8° |
| C20 | C19 | C18 | O22 | 5.9° | 57.6° |
| C19 | C20 | C21 | O21 | 174.9° | 62.9° |
| C19 | C20 | C21 | C22 | 53.2° | 57.0° |
| C20 | C19 | C18 | H16 | 125.3° | 62.4° |
| C19 | C20 | C21 | H20 | 64.7° | 177.0° |
| C20 | C19 | N23 | H37 | 180.0° | 180.0° |
| C20 | C19 | N23 | H38 | 60.0° | 56.1° |
| C19 | C20 | O20 | H51 | 180.0° | 180.0° |
| C18 | C19 | C20 | O20 | 146.0° | 62.9° |
| C19 | C18 | O18 | C15 | 132.1° | 170.1° |
| C19 | C18 | O18 | O22 | 130.5° | 119.9° |
| C19 | C18 | O18 | H16 | 114.1° | 120.0° |
| C18 | C19 | C20 | C21 | 22.8° | 57.0° |
| C19 | C18 | O22 | H16 | 118.9° | 120.0° |
| C19 | C18 | O22 | C22 | 21.7° | 61.1° |
| C18 | C19 | C20 | H19 | 96.0° | 176.8° |
| C18 | C19 | N23 | H37 | 49.9° | 60.3° |
| C18 | C19 | N23 | H38 | 70.1° | 63.6° |
| C15 | C14 | O14 | H3 | 121.0° | 122.7° |
| C14 | C15 | O18 | H4 | 122.5° | 122.6° |
| C14 | C15 | O18 | C18 | 156.8° | 91.4° |
| C14 | C15 | C16 | H5 | 78.0° | 95.0° |
| C15 | C14 | C13 | H8 | 129.9° | 142.8° |
| C15 | C14 | O14 | H49 | 62.0° | 180.0° |
| O14 | C14 | C15 | O18 | 101.6° | 122.6° |
| O14 | C14 | C15 | H4 | 21.7° | 0.0° |
| O14 | C14 | C13 | H8 | 8.8° | 24.2° |
| O20 | C20 | C21 | H19 | 118.5° | 120.2° |
| O20 | C20 | C21 | O21 | 62.2° | 177.2° |
| O20 | C20 | C21 | C22 | 176.1° | 62.9° |
| O20 | C20 | C19 | H17 | 96.3° | 177.2° |
| O20 | C20 | C21 | H20 | 58.1° | 57.1° |
| C15 | O18 | C18 | O22 | 97.5° | 70.0° |
| O18 | C15 | C14 | H3 | 20.2° | 0.0° |
| O18 | C15 | C16 | H5 | 39.8° | 23.7° |
| C15 | O18 | C18 | H16 | 18.0° | 50.0° |
| O18 | C18 | O22 | H16 | 115.5° | 120.1° |
| O18 | C18 | O22 | C22 | 103.9° | 178.9° |
| C18 | O18 | C15 | H4 | 34.3° | 31.2° |
| O18 | C18 | C19 | H17 | 2.0° | 57.7° |
| C20 | C21 | C22 | C23 | 56.9° | 177.6° |
| C20 | C21 | O21 | C22 | 120.9° | 119.7° |
| C20 | C21 | O21 | H20 | 119.6° | 120.1° |
| C20 | C21 | C22 | H20 | 117.9° | 119.9° |
| C20 | C21 | C22 | O22 | 67.4° | 57.6° |
| C21 | C20 | C19 | H17 | 140.5° | 62.9° |
| C20 | C21 | C22 | H21 | 175.6° | 62.4° |
| C21 | C20 | O20 | H51 | 55.0° | 60.4° |
| C20 | C21 | O21 | H52 | 180.0° | 60.0° |
| C18 | O22 | C22 | C23 | 73.2° | 178.8° |
| C18 | O22 | C22 | C21 | 52.2° | 61.1° |
| O22 | C18 | C19 | H17 | 123.7° | 62.3° |
| C18 | O22 | C22 | H21 | 168.5° | 58.8° |
| N19 | C23 | C22 | H22 | 120.2° | 120.0° |
| N19 | C23 | C22 | H23 | 120.2° | 120.0° |
| N19 | C23 | C22 | C21 | 61.5° | 180.0° |
| N19 | C23 | C22 | O22 | 176.2° | 60.0° |
| N19 | C23 | C22 | H21 | 57.2° | 60.0° |
| N19 | C23 | H22 | H23 | 119.4° | 120.0° |
| C23 | N19 | H31 | H32 | 120.0° | 123.9° |
| C23 | C22 | C21 | O21 | 64.9° | 57.7° |
| C23 | C22 | C21 | O22 | 124.3° | 120.0° |
| C23 | C22 | C21 | H21 | 118.6° | 120.0° |
| C23 | C22 | O22 | H21 | 118.2° | 120.0° |
| C23 | C22 | C21 | H20 | 174.9° | 62.5° |
| C22 | C23 | H22 | H23 | 119.4° | 119.9° |
| C22 | C23 | N19 | H31 | 180.0° | 180.0° |
| C22 | C23 | N19 | H32 | 60.0° | 56.0° |
| O21 | C21 | C22 | H20 | 120.2° | 120.2° |
| O21 | C21 | C22 | O22 | 170.8° | 62.3° |
| O21 | C21 | C20 | H19 | 56.2° | 56.9° |
| O21 | C21 | C22 | H21 | 53.7° | 177.7° |
| C21 | C22 | O22 | H21 | 116.3° | 120.0° |
| C22 | C21 | C20 | H19 | 65.4° | 176.8° |
| C21 | C22 | C23 | H22 | 58.7° | 60.0° |
| C21 | C22 | C23 | H23 | 178.3° | 60.0° |
| C22 | C21 | O21 | H52 | 59.1° | 179.7° |
| C22 | O22 | C18 | H16 | 140.6° | 58.8° |
| O22 | C22 | C21 | H20 | 50.5° | 177.5° |
| O22 | C22 | C23 | H22 | 63.7° | 60.0° |
| O22 | C22 | C23 | H23 | 56.0° | 180.0° |
| H1 | C6 | C5 | H26 | 120.5° | 66.3° |
| H1 | C6 | N6 | H40 | 60.3° | 54.1° |
| H1 | C6 | N6 | H41 | 59.7° | 178.1° |
| H2 | C6 | C5 | H26 | 118.8° | 173.8° |
| H2 | C6 | N6 | H40 | 60.4° | 65.8° |
| H2 | C6 | N6 | H41 | 179.6° | 58.2° |
| H3 | C14 | C15 | H4 | 143.4° | 122.6° |
| H3 | C14 | C13 | H8 | 113.1° | 98.4° |
| H3 | C14 | O14 | H49 | 58.9° | 57.4° |
| H4 | C15 | C16 | H5 | 165.5° | 146.4° |
| H5 | C16 | C17 | H14 | 132.5° | 172.7° |
| H5 | C16 | C17 | H15 | 106.8° | 67.3° |
| H6 | C10 | C11 | H13 | 171.5° | 180.0° |
| H6 | C10 | C9 | H30 | 175.8° | NaN° |
| H7 | C12 | C11 | H13 | 176.3° | 180.0° |
| H7 | C12 | C7 | H27 | 177.0° | 180.0° |
| H7 | C12 | O12 | H48 | 61.6° | 60.0° |
| H9 | CH3 | H10 | H11 | 120.0° | 120.0° |
| H9 | CH3 | N9 | H46 | 59.9° | 50.6° |
| H10 | CH3 | N9 | H46 | 60.1° | 69.4° |
| H11 | CH3 | N9 | H46 | 179.9° | 170.6° |
| H12 | C1 | C2 | H18 | 76.8° | 62.4° |
| H14 | C17 | O17 | H50 | 60.4° | 60.0° |
| H15 | C17 | O17 | H50 | 60.4° | 60.0° |
| H16 | C18 | C19 | H17 | 116.9° | 177.7° |
| H17 | C19 | C20 | H19 | 21.7° | 57.0° |
| H17 | C19 | N23 | H37 | 65.4° | 59.8° |
| H17 | C19 | N23 | H38 | 174.6° | 176.3° |
| H18 | C2 | C3 | H24 | 45.4° | 57.0° |
| H18 | C2 | N2 | H34 | 62.1° | 60.2° |
| H18 | C2 | N2 | H35 | 177.9° | 175.9° |
| H19 | C20 | C21 | H20 | 176.6° | 63.1° |
| H19 | C20 | O20 | H51 | 62.8° | 59.8° |
| H20 | C21 | C22 | H21 | 66.5° | 57.5° |
| H20 | C21 | O21 | H52 | 60.4° | 60.1° |
| H21 | C22 | C23 | H22 | 177.4° | 180.0° |
| H21 | C22 | C23 | H23 | 63.0° | 60.0° |
| H22 | C23 | N19 | H31 | 59.8° | 60.0° |
| H22 | C23 | N19 | H32 | 60.2° | 176.1° |
| H23 | C23 | N19 | H31 | 59.8° | 60.1° |
| H23 | C23 | N19 | H32 | 179.8° | 63.9° |
| H24 | C3 | C4 | H25 | 175.9° | 177.2° |
| H24 | C3 | O3 | H53 | 61.8° | 59.8° |
| H25 | C4 | C5 | H26 | 176.8° | 177.7° |
| H25 | C4 | O4 | H54 | 60.3° | 60.2° |
| H27 | C7 | C8 | H28 | 63.1° | 180.0° |
| H27 | C7 | C8 | H29 | 176.7° | 60.0° |
| H27 | C7 | N7 | H43 | 61.2° | 60.0° |
| H27 | C7 | N7 | H44 | 58.8° | 176.0° |
| H28 | C8 | C9 | H30 | 60.7° | 180.0° |
| H29 | C8 | C9 | H30 | 179.1° | 60.0° |
| H30 | C9 | N9 | H46 | 176.1° | 177.8° |
