71R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N32 | C31 | doub | 1.30Å | 1.44Å | |
| C31 | N33 | sing | 1.38Å | 1.30Å | |
| C31 | N30 | sing | 1.37Å | 1.43Å | |
| N30 | C29 | sing | 1.47Å | 1.45Å | |
| O28 | C27 | sing | 1.43Å | 1.44Å | |
| C29 | C27 | sing | 1.53Å | 1.53Å | |
| C29 | C34 | sing | 1.53Å | 1.52Å | |
| O35 | C34 | sing | 1.43Å | 1.40Å | |
| C27 | C25 | sing | 1.53Å | 1.52Å | |
| C34 | C36 | sing | 1.53Å | 1.52Å | |
| C25 | O26 | sing | 1.43Å | 1.42Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C36 | C24 | sing | 1.53Å | 1.52Å | |
| C36 | N37 | sing | 1.46Å | 1.46Å | |
| C24 | O23 | sing | 1.43Å | 1.48Å | |
| N37 | C38 | sing | 1.37Å | 1.45Å | |
| N40 | C38 | doub | 1.30Å | 1.34Å | |
| C38 | N39 | sing | 1.37Å | 1.41Å | |
| O10 | C09 | sing | 1.43Å | 1.43Å | |
| O23 | C15 | sing | 1.43Å | 1.32Å | |
| C09 | C08 | sing | 1.53Å | 1.53Å | |
| C15 | O16 | sing | 1.44Å | 1.56Å | |
| C15 | C14 | sing | 1.55Å | 1.57Å | |
| O16 | C17 | sing | 1.44Å | 1.34Å | |
| O11 | C08 | sing | 1.43Å | 1.48Å | |
| O11 | C12 | sing | 1.43Å | 1.47Å | |
| C08 | C06 | sing | 1.53Å | 1.51Å | |
| C17 | C18 | sing | 1.53Å | 1.50Å | |
| C17 | C19 | sing | 1.54Å | 1.63Å | |
| C14 | O13 | sing | 1.43Å | 1.53Å | |
| C14 | C19 | sing | 1.54Å | 1.39Å | |
| C12 | O13 | sing | 1.43Å | 1.43Å | |
| C12 | C03 | sing | 1.53Å | 1.51Å | |
| C06 | O07 | sing | 1.43Å | 1.45Å | |
| C06 | C04 | sing | 1.53Å | 1.49Å | |
| C19 | O20 | sing | 1.43Å | 1.46Å | |
| C19 | C21 | sing | 1.53Å | 1.59Å | |
| C03 | C04 | sing | 1.53Å | 1.50Å | |
| C03 | N02 | sing | 1.47Å | 1.49Å | |
| C21 | O22 | sing | 1.43Å | 1.45Å | |
| C04 | O05 | sing | 1.43Å | 1.48Å | |
| C01 | N02 | sing | 1.47Å | 1.46Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| N02 | H4 | sing | 1.01Å | 1.00Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| O05 | H8 | sing | 0.97Å | 0.95Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| O07 | H10 | sing | 0.97Å | 0.95Å | |
| C08 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C09 | H13 | sing | 1.09Å | 1.10Å | |
| O10 | H14 | sing | 0.97Å | 0.95Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H20 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| O20 | H22 | sing | 0.97Å | 0.95Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| O26 | H27 | sing | 0.97Å | 0.95Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| O28 | H29 | sing | 0.97Å | 0.95Å | |
| C29 | H30 | sing | 1.09Å | 1.10Å | |
| N30 | H31 | sing | 0.97Å | 1.00Å | |
| N32 | H32 | sing | 0.97Å | 1.00Å | |
| N33 | H33 | sing | 0.97Å | 1.00Å | |
| N33 | H34 | sing | 0.97Å | 1.00Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| O35 | H36 | sing | 0.97Å | 0.95Å | |
| C36 | H37 | sing | 1.09Å | 1.10Å | |
| N37 | H38 | sing | 0.97Å | 1.00Å | |
| N39 | H39 | sing | 0.97Å | 1.00Å | |
| N39 | H40 | sing | 0.97Å | 1.00Å | |
| N40 | H41 | sing | 0.97Å | 1.00Å | |
| O22 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N32 | C31 | N33 | 123.2° | 119.9° |
| N32 | C31 | N30 | 115.2° | 120.0° |
| C31 | N32 | H32 | 112.0° | 119.9° |
| N33 | C31 | N30 | 121.6° | 120.0° |
| C31 | N33 | H33 | 120.0° | 120.0° |
| C31 | N33 | H34 | 120.0° | 120.0° |
| C31 | N30 | C29 | 120.9° | 120.0° |
| C31 | N30 | H31 | 119.6° | 120.0° |
| N30 | C29 | C27 | 109.8° | 109.4° |
| N30 | C29 | C34 | 110.7° | 109.5° |
| N30 | C29 | H30 | 108.7° | 109.5° |
| C29 | N30 | H31 | 119.5° | 120.0° |
| O28 | C27 | C29 | 111.6° | 109.5° |
| O28 | C27 | C25 | 107.6° | 109.5° |
| O28 | C27 | H28 | 109.7° | 109.5° |
| C27 | O28 | H29 | 109.5° | 114.0° |
| C27 | C29 | C34 | 112.0° | 109.5° |
| C29 | C27 | C25 | 110.9° | 109.4° |
| C29 | C27 | H28 | 108.4° | 109.5° |
| C27 | C29 | H30 | 107.6° | 109.4° |
| C29 | C34 | O35 | 109.2° | 109.4° |
| C29 | C34 | C36 | 108.2° | 109.4° |
| C34 | C29 | H30 | 107.9° | 109.5° |
| C29 | C34 | H35 | 110.0° | 109.5° |
| O35 | C34 | C36 | 107.6° | 109.4° |
| O35 | C34 | H35 | 111.8° | 109.5° |
| C34 | O35 | H36 | 109.5° | 114.0° |
| C27 | C25 | O26 | 108.9° | 109.5° |
| C27 | C25 | C24 | 111.0° | 109.4° |
| C27 | C25 | H26 | 108.3° | 109.5° |
| C25 | C27 | H28 | 108.6° | 109.5° |
| C34 | C36 | C24 | 113.1° | 109.4° |
| C34 | C36 | N37 | 109.4° | 109.4° |
| C36 | C34 | H35 | 110.0° | 109.5° |
| C34 | C36 | H37 | 108.5° | 109.5° |
| O26 | C25 | C24 | 110.9° | 109.4° |
| O26 | C25 | H26 | 109.6° | 109.5° |
| C25 | O26 | H27 | 109.5° | 113.9° |
| C25 | C24 | C36 | 109.4° | 109.5° |
| C25 | C24 | O23 | 107.9° | 109.5° |
| C25 | C24 | H25 | 110.6° | 109.5° |
| C24 | C25 | H26 | 108.0° | 109.5° |
| C24 | C36 | N37 | 107.8° | 109.5° |
| C36 | C24 | O23 | 106.5° | 109.4° |
| C36 | C24 | H25 | 110.8° | 109.4° |
| C24 | C36 | H37 | 108.6° | 109.5° |
| C36 | N37 | C38 | 123.1° | 120.0° |
| N37 | C36 | H37 | 109.3° | 109.5° |
| C36 | N37 | H38 | 118.5° | 120.0° |
| C24 | O23 | C15 | 117.0° | 114.0° |
| O23 | C24 | H25 | 111.5° | 109.4° |
| N37 | C38 | N40 | 121.3° | 120.0° |
| N37 | C38 | N39 | 117.0° | 120.1° |
| C38 | N37 | H38 | 118.5° | 120.0° |
| N40 | C38 | N39 | 121.7° | 120.0° |
| C38 | N40 | H41 | 112.0° | 119.9° |
| C38 | N39 | H39 | 120.0° | 120.0° |
| C38 | N39 | H40 | 120.0° | 120.0° |
| O10 | C09 | C08 | 106.0° | 109.5° |
| O10 | C09 | H12 | 110.3° | 109.4° |
| O10 | C09 | H13 | 110.3° | 109.5° |
| C09 | O10 | H14 | 109.5° | 114.0° |
| O23 | C15 | O16 | 111.8° | 110.4° |
| O23 | C15 | C14 | 112.2° | 110.4° |
| O23 | C15 | H17 | 113.5° | 110.4° |
| C09 | C08 | O11 | 105.7° | 109.5° |
| C09 | C08 | C06 | 112.6° | 109.5° |
| C09 | C08 | H11 | 109.5° | 109.5° |
| C08 | C09 | H12 | 110.3° | 109.5° |
| C08 | C09 | H13 | 110.3° | 109.5° |
| O16 | C15 | C14 | 99.0° | 104.8° |
| C15 | O16 | C17 | 107.1° | 105.3° |
| O16 | C15 | H17 | 109.7° | 110.4° |
| C15 | C14 | O13 | 109.6° | 110.4° |
| C15 | C14 | C19 | 109.6° | 104.1° |
| C15 | C14 | H16 | 107.9° | 110.6° |
| C14 | C15 | H17 | 109.6° | 110.4° |
| O16 | C17 | C18 | 110.6° | 110.4° |
| O16 | C17 | C19 | 100.5° | 104.8° |
| O16 | C17 | H18 | 113.9° | 110.4° |
| C08 | O11 | C12 | 117.3° | 114.1° |
| O11 | C08 | C06 | 109.2° | 109.4° |
| O11 | C08 | H11 | 110.1° | 109.5° |
| O11 | C12 | O13 | 108.5° | 109.5° |
| O11 | C12 | C03 | 106.6° | 109.4° |
| O11 | C12 | H15 | 111.8° | 109.5° |
| C08 | C06 | O07 | 109.7° | 109.5° |
| C08 | C06 | C04 | 110.4° | 109.2° |
| C08 | C06 | H9 | 108.8° | 109.6° |
| C06 | C08 | H11 | 109.8° | 109.5° |
| C18 | C17 | C19 | 110.5° | 110.4° |
| C18 | C17 | H18 | 111.3° | 110.3° |
| C17 | C18 | H19 | 109.5° | 109.4° |
| C17 | C18 | H20 | 109.5° | 109.5° |
| C17 | C18 | H21 | 109.5° | 109.5° |
| C17 | C19 | C14 | 101.5° | 104.1° |
| C17 | C19 | O20 | 107.8° | 110.5° |
| C17 | C19 | C21 | 111.5° | 110.5° |
| C19 | C17 | H18 | 109.5° | 110.5° |
| O13 | C14 | C19 | 110.8° | 110.5° |
| C14 | O13 | C12 | 114.9° | 114.0° |
| O13 | C14 | H16 | 108.5° | 110.5° |
| C14 | C19 | O20 | 112.2° | 110.5° |
| C14 | C19 | C21 | 116.2° | 110.5° |
| C19 | C14 | H16 | 110.4° | 110.5° |
| O13 | C12 | C03 | 106.1° | 109.5° |
| O13 | C12 | H15 | 112.3° | 109.5° |
| C12 | C03 | C04 | 111.0° | 109.1° |
| C12 | C03 | N02 | 107.7° | 109.5° |
| C12 | C03 | H6 | 109.3° | 109.6° |
| C03 | C12 | H15 | 111.2° | 109.4° |
| O07 | C06 | C04 | 109.3° | 109.6° |
| O07 | C06 | H9 | 109.6° | 109.5° |
| C06 | O07 | H10 | 109.5° | 114.0° |
| C06 | C04 | C03 | 113.0° | 109.0° |
| C06 | C04 | O05 | 109.8° | 109.5° |
| C06 | C04 | H7 | 107.7° | 109.6° |
| C04 | C06 | H9 | 109.0° | 109.5° |
| O20 | C19 | C21 | 107.3° | 110.5° |
| C19 | O20 | H22 | 109.5° | 114.0° |
| C19 | C21 | O22 | 104.7° | 109.5° |
| C19 | C21 | H23 | 110.7° | 109.5° |
| C19 | C21 | H24 | 110.6° | 109.5° |
| C04 | C03 | N02 | 109.9° | 109.5° |
| C03 | C04 | O05 | 110.6° | 109.6° |
| C04 | C03 | H6 | 109.3° | 109.5° |
| C03 | C04 | H7 | 107.6° | 109.6° |
| C03 | N02 | C01 | 108.6° | 111.0° |
| C03 | N02 | H4 | 109.7° | 111.0° |
| N02 | C03 | H6 | 109.6° | 109.6° |
| O22 | C21 | H23 | 110.6° | 109.5° |
| O22 | C21 | H24 | 110.7° | 109.5° |
| C21 | O22 | H42 | 109.5° | 114.0° |
| O05 | C04 | H7 | 107.9° | 109.5° |
| C04 | O05 | H8 | 109.5° | 114.0° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.5° | 109.6° |
| C01 | N02 | H4 | 109.7° | 111.0° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H1 | C01 | H3 | 109.4° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H12 | C09 | H13 | 109.5° | 109.5° |
| H19 | C18 | H20 | 109.5° | 109.5° |
| H19 | C18 | H21 | 109.5° | 109.5° |
| H20 | C18 | H21 | 109.4° | 109.5° |
| H23 | C21 | H24 | 109.5° | 109.4° |
| H33 | N33 | H34 | 120.0° | 120.0° |
| H39 | N39 | H40 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N32 | C31 | N33 | N30 | 179.1° | 180.0° |
| N32 | C31 | N30 | C29 | 179.5° | 0.0° |
| N32 | C31 | N30 | H31 | 0.5° | 180.0° |
| N32 | C31 | N33 | H33 | 179.1° | 180.0° |
| N32 | C31 | N33 | H34 | 0.9° | 0.1° |
| N33 | C31 | N30 | C29 | 1.3° | 180.0° |
| N33 | C31 | N30 | H31 | 178.7° | 0.0° |
| N33 | C31 | N32 | H32 | 179.1° | 180.0° |
| C31 | N33 | H33 | H34 | 180.0° | 179.9° |
| C31 | N30 | C29 | H31 | 180.0° | 180.0° |
| C31 | N30 | C29 | C27 | 128.4° | 85.0° |
| C31 | N30 | C29 | C34 | 107.4° | 155.0° |
| C31 | N30 | C29 | H30 | 10.9° | 34.9° |
| N30 | C31 | N32 | H32 | 0.0° | 0.1° |
| N30 | C31 | N33 | H33 | 0.0° | 0.0° |
| N30 | C31 | N33 | H34 | 180.0° | 180.0° |
| N30 | C29 | C27 | O28 | 59.8° | 60.0° |
| N30 | C29 | C27 | C34 | 123.4° | 120.0° |
| N30 | C29 | C27 | H30 | 118.2° | 120.0° |
| N30 | C29 | C34 | H30 | 118.8° | 120.0° |
| N30 | C29 | C34 | O35 | 63.6° | 60.1° |
| N30 | C29 | C27 | C25 | 179.7° | 180.0° |
| N30 | C29 | C34 | C36 | 179.6° | 180.0° |
| N30 | C29 | C27 | H28 | 61.1° | 60.0° |
| N30 | C29 | C34 | H35 | 59.4° | 60.0° |
| O28 | C27 | C29 | C25 | 119.9° | 120.0° |
| O28 | C27 | C29 | H28 | 120.9° | 120.0° |
| O28 | C27 | C29 | C34 | 176.8° | 180.0° |
| O28 | C27 | C25 | H28 | 118.7° | 120.0° |
| O28 | C27 | C25 | O26 | 60.1° | 60.1° |
| O28 | C27 | C25 | C24 | 177.5° | 180.0° |
| O28 | C27 | C25 | H26 | 59.1° | 60.0° |
| O28 | C27 | C29 | H30 | 58.4° | 60.0° |
| C27 | C29 | C34 | H30 | 118.3° | 120.0° |
| C27 | C29 | C34 | O35 | 173.5° | 180.0° |
| C29 | C27 | C25 | H28 | 119.0° | 120.0° |
| C27 | C29 | C34 | C36 | 56.7° | 60.1° |
| C29 | C27 | C25 | O26 | 177.7° | 179.9° |
| C29 | C27 | C25 | C24 | 55.3° | 60.0° |
| C29 | C27 | C25 | H26 | 63.2° | 60.0° |
| C29 | C27 | O28 | H29 | 180.0° | 180.0° |
| C27 | C29 | N30 | H31 | 51.6° | 95.0° |
| C27 | C29 | C34 | H35 | 63.5° | 60.0° |
| C29 | C34 | O35 | C36 | 117.3° | 119.9° |
| C29 | C34 | O35 | H35 | 121.9° | 120.1° |
| C34 | C29 | C27 | C25 | 56.9° | 60.0° |
| C29 | C34 | C36 | H35 | 120.2° | 120.0° |
| C29 | C34 | C36 | C24 | 58.2° | 60.0° |
| C29 | C34 | C36 | N37 | 178.5° | 180.0° |
| C34 | C29 | C27 | H28 | 62.3° | 60.0° |
| C34 | C29 | N30 | H31 | 72.5° | 25.0° |
| C29 | C34 | O35 | H36 | 180.0° | 60.1° |
| C29 | C34 | C36 | H37 | 62.4° | 60.0° |
| O35 | C34 | C36 | H35 | 122.0° | 120.0° |
| O35 | C34 | C36 | C24 | 176.1° | 180.0° |
| O35 | C34 | C36 | N37 | 63.7° | 60.1° |
| O35 | C34 | C29 | H30 | 55.3° | 60.0° |
| O35 | C34 | C36 | H37 | 55.5° | 60.0° |
| C27 | C25 | O26 | C24 | 122.5° | 119.9° |
| C27 | C25 | O26 | H26 | 118.3° | 120.1° |
| C27 | C25 | C24 | H26 | 118.6° | 120.1° |
| C27 | C25 | C24 | C36 | 55.2° | 60.1° |
| C27 | C25 | C24 | O23 | 170.6° | 180.0° |
| C27 | C25 | C24 | H25 | 67.2° | 59.9° |
| C27 | C25 | O26 | H27 | 180.0° | 60.1° |
| C25 | C27 | O28 | H29 | 58.1° | 60.0° |
| C25 | C27 | C29 | H30 | 61.5° | 60.0° |
| C34 | C36 | C24 | C25 | 57.8° | 60.0° |
| C34 | C36 | C24 | N37 | 121.2° | 120.0° |
| C34 | C36 | C24 | H37 | 120.6° | 120.0° |
| C34 | C36 | N37 | H37 | 118.7° | 120.0° |
| C34 | C36 | C24 | O23 | 174.2° | 179.9° |
| C34 | C36 | N37 | C38 | 106.6° | 88.7° |
| C34 | C36 | C24 | H25 | 64.4° | 60.0° |
| C36 | C34 | C29 | H30 | 61.6° | 59.9° |
| C36 | C34 | O35 | H36 | 62.7° | 180.0° |
| C34 | C36 | N37 | H38 | 73.4° | 91.4° |
| O26 | C25 | C24 | H26 | 120.2° | 120.0° |
| O26 | C25 | C24 | C36 | 176.4° | 180.0° |
| O26 | C25 | C24 | O23 | 68.1° | 60.0° |
| O26 | C25 | C24 | H25 | 54.0° | 60.0° |
| O26 | C25 | C27 | H28 | 58.6° | 59.9° |
| C25 | C24 | C36 | O23 | 116.4° | 120.0° |
| C25 | C24 | C36 | H25 | 122.2° | 120.1° |
| C25 | C24 | C36 | N37 | 179.0° | 180.0° |
| C25 | C24 | O23 | H25 | 121.7° | 120.1° |
| C25 | C24 | O23 | C15 | 103.4° | 105.5° |
| C24 | C25 | O26 | H27 | 57.6° | 180.0° |
| C24 | C25 | C27 | H28 | 63.8° | 60.0° |
| C25 | C24 | C36 | H37 | 62.7° | 60.0° |
| C24 | C36 | N37 | H37 | 117.8° | 120.0° |
| C36 | C24 | O23 | H25 | 121.0° | 119.9° |
| C24 | C36 | N37 | C38 | 130.0° | 151.3° |
| C36 | C24 | O23 | C15 | 139.3° | 134.5° |
| C36 | C24 | C25 | H26 | 63.4° | 60.0° |
| C24 | C36 | C34 | H35 | 62.0° | 60.0° |
| C24 | C36 | N37 | H38 | 50.1° | 28.6° |
| N37 | C36 | C24 | O23 | 64.7° | 60.0° |
| C36 | N37 | C38 | H38 | 180.0° | 179.9° |
| C36 | N37 | C38 | N40 | 1.9° | 0.0° |
| C36 | N37 | C38 | N39 | 179.4° | 180.0° |
| N37 | C36 | C24 | H25 | 56.7° | 59.9° |
| N37 | C36 | C34 | H35 | 58.3° | 60.0° |
| C24 | O23 | C15 | O16 | 87.3° | 74.7° |
| C24 | O23 | C15 | C14 | 162.5° | 169.9° |
| C24 | O23 | C15 | H17 | 37.6° | 47.6° |
| O23 | C24 | C25 | H26 | 52.0° | 60.0° |
| O23 | C24 | C36 | H37 | 53.6° | 60.1° |
| N37 | C38 | N40 | N39 | 178.7° | 180.0° |
| C38 | N37 | C36 | H37 | 12.1° | 31.3° |
| N37 | C38 | N39 | H39 | 178.7° | 0.0° |
| N37 | C38 | N39 | H40 | 1.3° | 180.0° |
| N37 | C38 | N40 | H41 | 178.7° | 180.0° |
| N40 | C38 | N37 | H38 | 178.1° | 179.9° |
| N40 | C38 | N39 | H39 | 0.0° | 180.0° |
| N40 | C38 | N39 | H40 | 180.0° | 0.0° |
| N39 | C38 | N37 | H38 | 0.6° | 0.1° |
| C38 | N39 | H39 | H40 | 180.0° | 179.9° |
| N39 | C38 | N40 | H41 | 0.0° | 0.0° |
| O10 | C09 | C08 | H12 | 119.5° | 120.0° |
| O10 | C09 | C08 | H13 | 119.4° | 120.0° |
| O10 | C09 | C08 | O11 | 66.0° | 63.3° |
| O10 | C09 | C08 | C06 | 174.9° | 176.8° |
| O10 | C09 | C08 | H11 | 52.5° | 56.7° |
| O10 | C09 | H12 | H13 | 121.6° | 120.0° |
| O23 | C15 | O16 | C14 | 118.4° | 118.8° |
| O23 | C15 | O16 | H17 | 126.9° | 122.4° |
| O23 | C15 | C14 | H17 | 127.1° | 122.3° |
| O23 | C15 | O16 | C17 | 87.6° | 78.3° |
| O23 | C15 | C14 | O13 | 119.7° | 146.5° |
| O23 | C15 | C14 | C19 | 118.6° | 94.8° |
| O23 | C15 | C14 | H16 | 1.7° | 23.9° |
| C15 | O23 | C24 | H25 | 18.2° | 14.6° |
| C09 | C08 | O11 | C06 | 121.3° | 120.0° |
| C09 | C08 | O11 | H11 | 118.1° | 120.0° |
| C09 | C08 | O11 | C12 | 177.7° | 178.9° |
| C09 | C08 | C06 | H11 | 122.2° | 120.0° |
| C09 | C08 | C06 | O07 | 71.3° | 62.5° |
| C09 | C08 | C06 | C04 | 168.2° | 177.6° |
| C09 | C08 | C06 | H9 | 48.6° | 57.6° |
| C08 | C09 | H12 | H13 | 121.6° | 120.0° |
| C08 | C09 | O10 | H14 | 180.0° | 180.0° |
| O16 | C15 | C14 | H17 | 114.8° | 118.9° |
| C15 | O16 | C17 | C18 | 162.5° | 159.4° |
| C15 | O16 | C17 | C19 | 45.7° | 40.5° |
| O16 | C15 | C14 | O13 | 122.3° | 94.7° |
| O16 | C15 | C14 | C19 | 0.5° | 24.0° |
| O16 | C15 | C14 | H16 | 119.8° | 142.7° |
| C15 | O16 | C17 | H18 | 71.3° | 78.4° |
| C14 | C15 | O16 | C17 | 30.8° | 40.5° |
| C15 | C14 | C19 | C17 | 25.1° | 0.0° |
| C15 | C14 | O13 | C19 | 121.0° | 114.6° |
| C15 | C14 | O13 | H16 | 117.6° | 122.7° |
| C15 | C14 | C19 | H16 | 118.7° | 118.8° |
| C15 | C14 | O13 | C12 | 89.0° | 88.6° |
| C15 | C14 | C19 | O20 | 89.8° | 118.6° |
| C15 | C14 | C19 | C21 | 146.2° | 118.7° |
| O16 | C17 | C18 | C19 | 110.4° | 115.4° |
| O16 | C17 | C18 | H18 | 127.7° | 122.2° |
| O16 | C17 | C19 | H18 | 120.2° | 118.9° |
| O16 | C17 | C19 | C14 | 44.9° | 24.0° |
| O16 | C17 | C19 | O20 | 73.2° | 94.7° |
| O16 | C17 | C19 | C21 | 169.3° | 142.6° |
| C17 | O16 | C15 | H17 | 145.5° | 159.3° |
| O16 | C17 | C18 | H19 | 180.0° | 58.6° |
| O16 | C17 | C18 | H20 | 60.0° | 178.6° |
| O16 | C17 | C18 | H21 | 60.0° | 61.4° |
| O11 | C08 | C06 | H11 | 120.8° | 120.0° |
| C08 | O11 | C12 | O13 | 56.4° | 58.8° |
| C08 | O11 | C12 | C03 | 57.5° | 61.2° |
| O11 | C08 | C06 | O07 | 171.7° | 177.6° |
| O11 | C08 | C06 | C04 | 51.2° | 57.6° |
| O11 | C08 | C06 | H9 | 68.4° | 62.3° |
| O11 | C08 | C09 | H12 | 174.5° | 56.7° |
| O11 | C08 | C09 | H13 | 53.4° | 176.7° |
| C08 | O11 | C12 | H15 | 179.2° | 178.9° |
| C12 | O11 | C08 | C06 | 56.4° | 61.2° |
| O11 | C12 | O13 | C14 | 91.2° | 76.9° |
| O11 | C12 | O13 | C03 | 114.2° | 119.9° |
| O11 | C12 | O13 | H15 | 124.1° | 120.1° |
| O11 | C12 | C03 | H15 | 122.1° | 119.9° |
| O11 | C12 | C03 | C04 | 55.0° | 57.6° |
| O11 | C12 | C03 | N02 | 175.3° | 177.5° |
| O11 | C12 | C03 | H6 | 65.7° | 62.3° |
| C12 | O11 | C08 | H11 | 64.1° | 58.8° |
| C08 | C06 | O07 | C04 | 121.2° | 119.7° |
| C08 | C06 | O07 | H9 | 119.4° | 120.1° |
| C08 | C06 | C04 | H9 | 119.5° | 120.0° |
| C08 | C06 | C04 | C03 | 54.6° | 57.0° |
| C08 | C06 | C04 | O05 | 178.7° | 176.9° |
| C08 | C06 | C04 | H7 | 64.1° | 63.0° |
| C08 | C06 | O07 | H10 | 180.0° | 60.3° |
| C06 | C08 | C09 | H12 | 55.4° | 63.2° |
| C06 | C08 | C09 | H13 | 65.7° | 56.8° |
| C18 | C17 | C19 | H18 | 123.0° | 122.3° |
| C18 | C17 | C19 | C14 | 161.7° | 142.8° |
| C18 | C17 | C19 | O20 | 43.6° | 24.2° |
| C18 | C17 | C19 | C21 | 73.9° | 98.5° |
| C17 | C18 | H19 | H20 | 120.0° | 120.0° |
| C17 | C18 | H19 | H21 | 120.0° | 120.0° |
| C17 | C18 | H20 | H21 | 120.0° | 120.0° |
| C17 | C19 | C14 | O13 | 146.1° | 118.6° |
| C17 | C19 | C14 | O20 | 114.9° | 118.6° |
| C17 | C19 | C14 | C21 | 121.1° | 118.7° |
| C17 | C19 | O20 | C21 | 120.2° | 122.7° |
| C17 | C19 | C21 | O22 | 176.3° | 65.3° |
| C17 | C19 | C14 | H16 | 93.7° | 118.8° |
| C19 | C17 | C18 | H19 | 69.6° | 56.8° |
| C19 | C17 | C18 | H20 | 170.4° | 63.1° |
| C19 | C17 | C18 | H21 | 50.4° | 176.9° |
| C17 | C19 | O20 | H22 | 180.0° | 65.4° |
| C17 | C19 | C21 | H23 | 64.5° | 174.6° |
| C17 | C19 | C21 | H24 | 57.0° | 54.7° |
| O13 | C14 | C19 | H16 | 120.2° | 122.6° |
| C14 | O13 | C12 | C03 | 154.5° | 163.2° |
| O13 | C14 | C19 | O20 | 31.3° | 0.1° |
| O13 | C14 | C19 | C21 | 92.7° | 122.7° |
| C14 | O13 | C12 | H15 | 32.8° | 43.2° |
| O13 | C14 | C15 | H17 | 7.5° | 24.2° |
| C19 | C14 | O13 | C12 | 150.0° | 156.8° |
| C14 | C19 | O20 | C21 | 128.9° | 122.7° |
| C14 | C19 | C21 | O22 | 68.1° | 180.0° |
| C19 | C14 | C15 | H17 | 114.3° | 142.8° |
| C14 | C19 | C17 | H18 | 75.3° | 94.9° |
| C14 | C19 | O20 | H22 | 69.1° | 180.0° |
| C14 | C19 | C21 | H23 | 51.1° | 59.9° |
| C14 | C19 | C21 | H24 | 172.6° | 60.0° |
| O13 | C12 | C03 | H15 | 122.4° | 120.1° |
| O13 | C12 | C03 | C04 | 60.5° | 62.3° |
| O13 | C12 | C03 | N02 | 59.9° | 57.5° |
| O13 | C12 | C03 | H6 | 178.8° | 177.7° |
| C12 | O13 | C14 | H16 | 28.6° | 34.1° |
| C12 | C03 | C04 | C06 | 57.4° | 57.0° |
| C12 | C03 | C04 | N02 | 119.0° | 119.9° |
| C12 | C03 | C04 | H6 | 120.7° | 120.0° |
| C12 | C03 | N02 | H6 | 118.7° | 120.2° |
| C12 | C03 | C04 | O05 | 179.0° | 176.9° |
| C12 | C03 | N02 | C01 | 59.8° | 85.3° |
| C12 | C03 | N02 | H4 | 60.0° | 38.6° |
| C12 | C03 | C04 | H7 | 61.4° | 62.9° |
| O07 | C06 | C04 | H9 | 119.8° | 120.1° |
| O07 | C06 | C04 | C03 | 175.4° | 176.9° |
| O07 | C06 | C04 | O05 | 60.6° | 63.2° |
| O07 | C06 | C04 | H7 | 56.6° | 56.9° |
| O07 | C06 | C08 | H11 | 50.9° | 57.6° |
| C06 | C04 | C03 | O05 | 123.6° | 119.9° |
| C06 | C04 | C03 | H7 | 118.8° | 120.0° |
| C06 | C04 | C03 | N02 | 176.5° | 176.9° |
| C06 | C04 | O05 | H7 | 117.1° | 120.2° |
| C06 | C04 | C03 | H6 | 63.2° | 63.0° |
| C06 | C04 | O05 | H8 | 180.0° | 60.4° |
| C04 | C06 | O07 | H10 | 58.8° | 180.0° |
| C04 | C06 | C08 | H11 | 69.6° | 62.4° |
| O20 | C19 | C21 | O22 | 58.4° | 57.3° |
| O20 | C19 | C14 | H16 | 151.5° | 122.6° |
| O20 | C19 | C17 | H18 | 166.6° | 146.4° |
| O20 | C19 | C21 | H23 | 177.6° | 62.7° |
| O20 | C19 | C21 | H24 | 60.8° | 177.4° |
| C19 | C21 | O22 | H23 | 119.3° | 120.0° |
| C19 | C21 | O22 | H24 | 119.2° | 120.0° |
| C21 | C19 | C14 | H16 | 27.5° | 0.1° |
| C21 | C19 | C17 | H18 | 49.1° | 23.8° |
| C21 | C19 | O20 | H22 | 59.8° | 57.3° |
| C19 | C21 | H23 | H24 | 122.2° | 120.0° |
| C19 | C21 | O22 | H42 | 180.0° | 180.0° |
| C04 | C03 | N02 | H6 | 120.2° | 120.1° |
| C03 | C04 | O05 | H7 | 117.5° | 120.2° |
| C04 | C03 | N02 | C01 | 179.1° | 155.0° |
| C04 | C03 | N02 | H4 | 61.0° | 81.0° |
| C03 | C04 | O05 | H8 | 54.6° | 180.0° |
| C03 | C04 | C06 | H9 | 64.9° | 62.9° |
| C04 | C03 | C12 | H15 | 177.1° | 177.6° |
| N02 | C03 | C04 | O05 | 60.0° | 63.3° |
| C03 | N02 | C01 | H4 | 119.9° | 123.9° |
| C03 | N02 | C01 | H1 | 180.0° | 179.9° |
| C03 | N02 | C01 | H2 | 60.0° | 60.1° |
| C03 | N02 | C01 | H3 | 60.0° | 60.0° |
| N02 | C03 | C04 | H7 | 57.6° | 56.9° |
| N02 | C03 | C12 | H15 | 62.6° | 62.6° |
| O22 | C21 | H23 | H24 | 122.2° | 120.0° |
| O05 | C04 | C03 | H6 | 60.3° | 56.9° |
| O05 | C04 | C06 | H9 | 59.2° | 56.9° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.1° |
| C01 | N02 | C03 | H6 | 58.9° | 34.9° |
| H1 | C01 | H2 | H3 | 120.0° | 119.9° |
| H1 | C01 | N02 | H4 | 60.1° | 56.0° |
| H2 | C01 | N02 | H4 | 179.8° | 176.0° |
| H3 | C01 | N02 | H4 | 59.9° | 63.9° |
| H4 | N02 | C03 | H6 | 178.8° | 158.8° |
| H6 | C03 | C04 | H7 | 177.9° | 177.1° |
| H6 | C03 | C12 | H15 | 56.4° | 57.7° |
| H7 | C04 | O05 | H8 | 62.9° | 59.8° |
| H7 | C04 | C06 | H9 | 176.4° | 177.1° |
| H9 | C06 | O07 | H10 | 60.6° | 59.9° |
| H9 | C06 | C08 | H11 | 170.9° | 177.7° |
| H11 | C08 | C09 | H12 | 67.0° | 176.7° |
| H11 | C08 | C09 | H13 | 171.9° | 63.3° |
| H12 | C09 | O10 | H14 | 60.5° | 60.0° |
| H13 | C09 | O10 | H14 | 60.6° | 60.0° |
| H16 | C14 | C15 | H17 | 125.4° | 98.4° |
| H18 | C17 | C18 | H19 | 52.3° | 179.2° |
| H18 | C17 | C18 | H20 | 67.7° | 59.2° |
| H18 | C17 | C18 | H21 | 172.4° | 60.8° |
| H19 | C18 | H20 | H21 | 120.0° | 120.0° |
| H23 | C21 | O22 | H42 | 60.7° | 60.0° |
| H24 | C21 | O22 | H42 | 60.8° | 60.0° |
| H25 | C24 | C25 | H26 | 174.2° | 180.0° |
| H25 | C24 | C36 | H37 | 175.0° | 180.0° |
| H26 | C25 | O26 | H27 | 61.6° | 60.0° |
| H26 | C25 | C27 | H28 | 177.8° | 180.0° |
| H28 | C27 | O28 | H29 | 59.9° | 60.0° |
| H28 | C27 | C29 | H30 | 179.3° | 180.0° |
| H30 | C29 | N30 | H31 | 169.1° | 145.0° |
| H30 | C29 | C34 | H35 | 178.2° | 180.0° |
| H35 | C34 | O35 | H36 | 58.1° | 60.0° |
| H35 | C34 | C36 | H37 | 177.5° | NaN° |
| H37 | C36 | N37 | H38 | 167.9° | 148.6° |
