9BJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C08 | sing | 1.54Å | 1.67Å | |
| C10 | N11 | sing | 1.46Å | 1.49Å | |
| C10 | O19 | sing | 1.43Å | 1.33Å | |
| C13 | C12 | doub | 1.35Å | 1.50Å | |
| C13 | C14 | sing | 1.42Å | 1.50Å | |
| C21 | C22 | sing | 1.53Å | 1.28Å | |
| C21 | O20 | sing | 1.43Å | 1.49Å | |
| C21 | C38 | sing | 1.53Å | 1.57Å | |
| C22 | C23 | sing | 1.53Å | 1.51Å | |
| O01 | P02 | doub | 1.48Å | 1.52Å | |
| P02 | O03 | sing | 1.61Å | 1.68Å | |
| P02 | O20 | sing | 1.61Å | 1.67Å | |
| P02 | O40 | sing | 1.61Å | 1.51Å | |
| O03 | C04 | sing | 1.43Å | 1.43Å | |
| C04 | C05 | sing | 1.53Å | 1.39Å | |
| C05 | C06 | sing | 1.54Å | 1.62Å | |
| C05 | O19 | sing | 1.43Å | 1.51Å | |
| C06 | O07 | sing | 1.43Å | 1.50Å | |
| C06 | C08 | sing | 1.54Å | 1.24Å | |
| O07 | P25 | sing | 1.61Å | 1.67Å | |
| C08 | O09 | sing | 1.43Å | 1.48Å | |
| N11 | C12 | sing | 1.37Å | 1.46Å | |
| N11 | C16 | sing | 1.35Å | 1.49Å | |
| C14 | N15 | sing | 1.35Å | 1.46Å | |
| C14 | O18 | doub | 1.22Å | 1.19Å | |
| N15 | C16 | sing | 1.35Å | 1.49Å | |
| C16 | O17 | doub | 1.22Å | 1.19Å | |
| C23 | O24 | sing | 1.43Å | 1.43Å | |
| O24 | P25 | sing | 1.61Å | 1.68Å | |
| P25 | O26 | doub | 1.48Å | 1.52Å | |
| P25 | O27 | sing | 1.61Å | 1.51Å | |
| O28 | C29 | sing | 1.43Å | 1.30Å | |
| C29 | N30 | sing | 1.46Å | 1.49Å | |
| C29 | C38 | sing | 1.53Å | 1.55Å | |
| N30 | C31 | sing | 1.35Å | 1.49Å | |
| N30 | C35 | sing | 1.37Å | 1.46Å | |
| C31 | N32 | sing | 1.35Å | 1.49Å | |
| C31 | O37 | doub | 1.22Å | 1.19Å | |
| N32 | C33 | sing | 1.35Å | 1.46Å | |
| C33 | C34 | sing | 1.42Å | 1.50Å | |
| C33 | O36 | doub | 1.22Å | 1.19Å | |
| C34 | C35 | doub | 1.35Å | 1.50Å | |
| C38 | O39 | sing | 1.43Å | 1.33Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.09Å | 1.10Å | |
| C22 | H4 | sing | 1.09Å | 1.10Å | |
| C22 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C08 | H10 | sing | 1.09Å | 1.10Å | |
| O09 | H11 | sing | 0.97Å | 0.95Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N15 | H13 | sing | 0.97Å | 1.00Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| O27 | H16 | sing | 0.97Å | 0.95Å | |
| O28 | H17 | sing | 0.97Å | 0.95Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| N32 | H19 | sing | 0.97Å | 1.00Å | |
| C34 | H20 | sing | 1.08Å | 1.08Å | |
| C35 | H21 | sing | 1.08Å | 1.08Å | |
| C38 | H22 | sing | 1.09Å | 1.10Å | |
| O39 | H23 | sing | 0.97Å | 0.95Å | |
| O40 | H24 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C08 | C10 | N11 | 100.8° | 109.8° |
| C08 | C10 | O19 | 107.8° | 107.9° |
| C10 | C08 | C06 | 106.1° | 105.0° |
| C10 | C08 | O09 | 109.8° | 110.3° |
| C08 | C10 | H1 | 105.8° | 109.8° |
| C10 | C08 | H10 | 107.2° | 110.4° |
| N11 | C10 | O19 | 122.8° | 109.8° |
| C10 | N11 | C12 | 120.2° | 119.7° |
| C10 | N11 | C16 | 119.9° | 119.7° |
| N11 | C10 | H1 | 107.9° | 109.8° |
| C10 | O19 | C05 | 106.0° | 109.7° |
| O19 | C10 | H1 | 110.1° | 109.7° |
| C12 | C13 | C14 | 119.9° | 119.1° |
| C13 | C12 | N11 | 119.9° | 119.7° |
| C12 | C13 | H2 | 120.1° | 120.4° |
| C13 | C12 | H12 | 120.0° | 120.2° |
| C13 | C14 | N15 | 119.8° | 119.4° |
| C13 | C14 | O18 | 120.1° | 120.3° |
| C14 | C13 | H2 | 120.1° | 120.5° |
| C22 | C21 | O20 | 109.4° | 109.5° |
| C22 | C21 | C38 | 104.9° | 109.5° |
| C21 | C22 | C23 | 110.3° | 109.5° |
| C22 | C21 | H3 | 113.5° | 109.5° |
| C21 | C22 | H4 | 109.3° | 109.4° |
| C21 | C22 | H5 | 109.3° | 109.4° |
| O20 | C21 | C38 | 110.0° | 109.5° |
| C21 | O20 | P02 | 117.3° | 123.0° |
| O20 | C21 | H3 | 110.0° | 109.5° |
| C21 | C38 | C29 | 103.5° | 109.5° |
| C21 | C38 | O39 | 109.9° | 109.4° |
| C38 | C21 | H3 | 108.9° | 109.5° |
| C21 | C38 | H22 | 109.7° | 109.5° |
| C22 | C23 | O24 | 108.9° | 109.5° |
| C23 | C22 | H4 | 109.3° | 109.5° |
| C23 | C22 | H5 | 109.2° | 109.5° |
| C22 | C23 | H14 | 109.6° | 109.5° |
| C22 | C23 | H15 | 109.6° | 109.5° |
| O01 | P02 | O03 | 114.1° | 109.5° |
| O01 | P02 | O20 | 113.0° | 109.5° |
| O01 | P02 | O40 | 105.3° | 109.5° |
| O03 | P02 | O20 | 114.1° | 109.5° |
| O03 | P02 | O40 | 105.2° | 109.5° |
| P02 | O03 | C04 | 118.7° | 123.0° |
| O20 | P02 | O40 | 103.8° | 109.5° |
| P02 | O40 | H24 | 109.5° | 114.0° |
| O03 | C04 | C05 | 109.9° | 109.5° |
| O03 | C04 | H6 | 109.4° | 109.5° |
| O03 | C04 | H7 | 109.4° | 109.5° |
| C04 | C05 | C06 | 111.6° | 109.9° |
| C04 | C05 | O19 | 111.4° | 109.9° |
| C05 | C04 | H6 | 109.4° | 109.4° |
| C05 | C04 | H7 | 109.4° | 109.5° |
| C04 | C05 | H8 | 111.7° | 109.9° |
| C06 | C05 | O19 | 103.4° | 107.6° |
| C05 | C06 | O07 | 110.6° | 110.4° |
| C05 | C06 | C08 | 104.0° | 105.0° |
| C06 | C05 | H8 | 108.4° | 109.8° |
| C05 | C06 | H9 | 108.0° | 110.3° |
| O19 | C05 | H8 | 109.9° | 109.7° |
| O07 | C06 | C08 | 110.9° | 110.3° |
| C06 | O07 | P25 | 117.7° | 123.0° |
| O07 | C06 | H9 | 109.5° | 110.4° |
| C06 | C08 | O09 | 110.4° | 110.3° |
| C08 | C06 | H9 | 113.7° | 110.3° |
| C06 | C08 | H10 | 113.5° | 110.3° |
| O07 | P25 | O24 | 113.9° | 109.4° |
| O07 | P25 | O26 | 113.6° | 109.5° |
| O07 | P25 | O27 | 104.7° | 109.5° |
| O09 | C08 | H10 | 109.6° | 110.4° |
| C08 | O09 | H11 | 109.5° | 114.0° |
| C12 | N11 | C16 | 119.9° | 120.6° |
| N11 | C12 | H12 | 120.0° | 120.1° |
| N11 | C16 | N15 | 120.3° | 121.0° |
| N11 | C16 | O17 | 120.0° | 119.5° |
| N15 | C14 | O18 | 120.1° | 120.3° |
| C14 | N15 | C16 | 120.2° | 120.3° |
| C14 | N15 | H13 | 119.9° | 119.9° |
| N15 | C16 | O17 | 119.7° | 119.5° |
| C16 | N15 | H13 | 119.9° | 119.9° |
| C23 | O24 | P25 | 120.0° | 123.0° |
| O24 | C23 | H14 | 109.6° | 109.5° |
| O24 | C23 | H15 | 109.6° | 109.5° |
| O24 | P25 | O26 | 113.3° | 109.5° |
| O24 | P25 | O27 | 105.9° | 109.4° |
| O26 | P25 | O27 | 104.3° | 109.5° |
| P25 | O27 | H16 | 109.5° | 114.0° |
| O28 | C29 | N30 | 122.1° | 109.5° |
| O28 | C29 | C38 | 105.6° | 109.4° |
| C29 | O28 | H17 | 109.5° | 114.0° |
| O28 | C29 | H18 | 110.5° | 109.4° |
| N30 | C29 | C38 | 102.8° | 109.5° |
| C29 | N30 | C31 | 120.5° | 119.7° |
| C29 | N30 | C35 | 119.7° | 119.7° |
| N30 | C29 | H18 | 107.7° | 109.5° |
| C29 | C38 | O39 | 110.0° | 109.5° |
| C38 | C29 | H18 | 107.1° | 109.5° |
| C29 | C38 | H22 | 110.0° | 109.5° |
| C31 | N30 | C35 | 119.8° | 120.6° |
| N30 | C31 | N32 | 120.0° | 120.9° |
| N30 | C31 | O37 | 120.1° | 119.5° |
| N30 | C35 | C34 | 120.4° | 119.7° |
| N30 | C35 | H21 | 119.8° | 120.1° |
| N32 | C31 | O37 | 119.9° | 119.6° |
| C31 | N32 | C33 | 120.3° | 120.3° |
| C31 | N32 | H19 | 119.8° | 119.8° |
| N32 | C33 | C34 | 119.9° | 119.4° |
| N32 | C33 | O36 | 120.4° | 120.3° |
| C33 | N32 | H19 | 119.9° | 119.9° |
| C34 | C33 | O36 | 119.7° | 120.3° |
| C33 | C34 | C35 | 119.6° | 119.1° |
| C33 | C34 | H20 | 120.2° | 120.5° |
| C35 | C34 | H20 | 120.2° | 120.4° |
| C34 | C35 | H21 | 119.8° | 120.2° |
| O39 | C38 | H22 | 113.3° | 109.5° |
| C38 | O39 | H23 | 109.5° | 114.0° |
| H4 | C22 | H5 | 109.5° | 109.5° |
| H6 | C04 | H7 | 109.4° | 109.5° |
| H14 | C23 | H15 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C08 | C10 | N11 | O19 | 119.6° | 118.5° |
| C08 | C10 | N11 | H1 | 110.7° | 120.8° |
| C08 | C10 | O19 | H1 | 115.0° | 119.6° |
| C10 | C08 | C06 | C05 | 30.9° | 2.3° |
| C08 | C10 | O19 | C05 | 7.8° | 21.2° |
| C10 | C08 | C06 | O07 | 149.7° | 121.3° |
| C10 | C08 | C06 | O09 | 119.0° | 118.9° |
| C10 | C08 | C06 | H10 | 117.5° | 118.9° |
| C10 | C08 | O09 | H10 | 117.5° | 122.2° |
| C08 | C10 | N11 | C12 | 88.0° | 115.1° |
| C08 | C10 | N11 | C16 | 92.3° | 65.0° |
| C10 | C08 | C06 | H9 | 86.4° | 116.5° |
| C10 | C08 | O09 | H11 | 180.0° | 61.5° |
| N11 | C10 | O19 | H1 | 128.7° | 120.7° |
| C10 | N11 | C12 | C13 | 180.0° | 180.0° |
| N11 | C10 | O19 | C05 | 124.1° | 140.8° |
| N11 | C10 | C08 | C06 | 112.7° | 130.6° |
| N11 | C10 | C08 | O09 | 127.9° | 110.5° |
| C10 | N11 | C12 | C16 | 179.7° | 180.0° |
| C10 | N11 | C16 | N15 | 179.9° | 179.9° |
| C10 | N11 | C16 | O17 | 0.2° | 0.0° |
| N11 | C10 | C08 | H10 | 8.8° | 11.7° |
| C10 | N11 | C12 | H12 | 0.0° | 0.1° |
| C10 | O19 | C05 | C04 | 144.7° | 142.3° |
| C10 | O19 | C05 | C06 | 24.7° | 22.7° |
| O19 | C10 | C08 | C06 | 17.1° | 10.9° |
| O19 | C10 | C08 | O09 | 102.3° | 129.8° |
| O19 | C10 | N11 | C12 | 31.6° | 126.4° |
| O19 | C10 | N11 | C16 | 148.1° | 53.5° |
| C10 | O19 | C05 | H8 | 90.9° | 96.7° |
| O19 | C10 | C08 | H10 | 138.7° | 108.0° |
| C12 | C13 | C14 | H2 | 180.0° | 179.7° |
| C13 | C12 | N11 | H12 | 180.0° | 179.9° |
| C13 | C12 | N11 | C16 | 0.3° | 0.0° |
| C12 | C13 | C14 | N15 | 0.1° | 0.1° |
| C12 | C13 | C14 | O18 | 179.9° | 180.0° |
| C14 | C13 | C12 | N11 | 0.3° | 0.0° |
| C13 | C14 | N15 | O18 | 180.0° | 179.9° |
| C13 | C14 | N15 | C16 | 0.0° | 0.1° |
| C14 | C13 | C12 | H12 | 179.7° | 180.0° |
| C13 | C14 | N15 | H13 | 180.0° | 180.0° |
| C22 | C21 | O20 | C38 | 114.7° | 120.0° |
| C22 | C21 | O20 | H3 | 125.3° | 120.0° |
| C22 | C21 | C38 | H3 | 121.8° | 120.0° |
| C21 | C22 | C23 | H4 | 120.1° | 120.0° |
| C21 | C22 | C23 | H5 | 120.1° | 120.0° |
| C22 | C21 | O20 | P02 | 134.5° | 128.6° |
| C21 | C22 | C23 | O24 | 48.0° | 119.7° |
| C22 | C21 | C38 | C29 | 34.4° | 180.0° |
| C22 | C21 | C38 | O39 | 83.1° | 60.0° |
| C21 | C22 | H4 | H5 | 119.6° | 120.0° |
| C21 | C22 | C23 | H14 | 167.9° | 0.3° |
| C21 | C22 | C23 | H15 | 71.9° | 120.3° |
| C22 | C21 | C38 | H22 | 151.7° | 60.0° |
| O20 | C21 | C38 | H3 | 120.6° | 120.0° |
| O20 | C21 | C22 | C23 | 94.9° | 134.8° |
| C21 | O20 | P02 | O01 | 86.7° | 21.0° |
| C21 | O20 | P02 | O03 | 45.8° | 99.0° |
| C21 | O20 | P02 | O40 | 159.7° | 141.0° |
| O20 | C21 | C38 | C29 | 152.0° | 60.0° |
| O20 | C21 | C38 | O39 | 34.5° | 180.0° |
| O20 | C21 | C22 | H4 | 145.0° | 105.2° |
| O20 | C21 | C22 | H5 | 25.2° | 14.8° |
| O20 | C21 | C38 | H22 | 90.7° | 60.0° |
| C38 | C21 | C22 | C23 | 147.1° | 105.2° |
| C38 | C21 | O20 | P02 | 110.7° | 111.4° |
| C21 | C38 | C29 | O28 | 27.4° | 65.0° |
| C21 | C38 | C29 | N30 | 101.6° | 175.0° |
| C21 | C38 | C29 | O39 | 117.4° | 120.0° |
| C21 | C38 | C29 | H22 | 117.1° | 120.0° |
| C21 | C38 | O39 | H22 | 123.1° | 120.0° |
| C38 | C21 | C22 | H4 | 27.0° | 14.8° |
| C38 | C21 | C22 | H5 | 92.7° | 134.7° |
| C21 | C38 | C29 | H18 | 145.1° | 55.0° |
| C21 | C38 | O39 | H23 | 180.0° | 60.0° |
| C22 | C23 | O24 | H14 | 119.9° | 120.0° |
| C22 | C23 | O24 | H15 | 119.9° | 120.0° |
| C22 | C23 | O24 | P25 | 179.7° | 123.6° |
| C23 | C22 | C21 | H3 | 28.3° | 14.8° |
| C23 | C22 | H4 | H5 | 119.6° | 120.1° |
| C22 | C23 | H14 | H15 | 120.3° | 120.0° |
| O01 | P02 | O03 | O20 | 132.0° | 120.0° |
| O01 | P02 | O03 | O40 | 114.9° | 120.0° |
| O01 | P02 | O20 | O40 | 113.6° | 120.0° |
| O01 | P02 | O03 | C04 | 140.7° | 1.7° |
| O01 | P02 | O40 | H24 | 0.0° | 60.0° |
| O03 | P02 | O20 | O40 | 113.9° | 120.0° |
| P02 | O03 | C04 | C05 | 172.2° | 149.8° |
| P02 | O03 | C04 | H6 | 67.7° | 90.3° |
| P02 | O03 | C04 | H7 | 52.1° | 29.8° |
| O03 | P02 | O40 | H24 | 120.8° | 60.0° |
| O20 | P02 | O03 | C04 | 87.3° | 118.3° |
| P02 | O20 | C21 | H3 | 9.3° | 8.7° |
| O20 | P02 | O40 | H24 | 119.0° | 180.0° |
| O40 | P02 | O03 | C04 | 25.7° | 121.7° |
| O03 | C04 | C05 | H6 | 120.1° | 120.0° |
| O03 | C04 | C05 | H7 | 120.1° | 120.0° |
| O03 | C04 | C05 | C06 | 46.2° | 122.2° |
| O03 | C04 | C05 | O19 | 68.8° | 119.7° |
| O03 | C04 | H6 | H7 | 119.8° | 120.0° |
| O03 | C04 | C05 | H8 | 167.8° | 1.2° |
| C04 | C05 | C06 | O19 | 119.9° | 119.6° |
| C04 | C05 | C06 | H8 | 123.5° | 121.0° |
| C04 | C05 | O19 | H8 | 124.4° | 121.0° |
| C04 | C05 | C06 | O07 | 84.2° | 106.6° |
| C04 | C05 | C06 | C08 | 156.7° | 134.5° |
| C05 | C04 | H6 | H7 | 119.8° | 120.0° |
| C04 | C05 | C06 | H9 | 35.6° | 15.7° |
| C06 | C05 | O19 | H8 | 115.6° | 119.4° |
| C05 | C06 | O07 | C08 | 114.8° | 115.6° |
| C05 | C06 | O07 | H9 | 118.9° | 122.3° |
| C05 | C06 | C08 | H9 | 117.2° | 118.8° |
| C05 | C06 | O07 | P25 | 132.7° | 128.9° |
| C05 | C06 | C08 | O09 | 88.1° | 116.5° |
| C06 | C05 | C04 | H6 | 73.8° | 117.9° |
| C06 | C05 | C04 | H7 | 166.3° | 2.1° |
| C05 | C06 | C08 | H10 | 148.3° | 121.2° |
| O19 | C05 | C06 | O07 | 155.9° | 133.8° |
| O19 | C05 | C06 | C08 | 36.8° | 14.9° |
| C05 | O19 | C10 | H1 | 107.2° | 98.4° |
| O19 | C05 | C04 | H6 | 171.1° | 0.3° |
| O19 | C05 | C04 | H7 | 51.3° | 120.3° |
| O19 | C05 | C06 | H9 | 84.3° | 103.9° |
| O07 | C06 | C08 | H9 | 123.9° | 122.2° |
| O07 | C06 | C08 | O09 | 30.7° | 2.4° |
| C06 | O07 | P25 | O24 | 54.8° | 128.4° |
| C06 | O07 | P25 | O26 | 76.9° | 8.4° |
| C06 | O07 | P25 | O27 | 169.9° | 111.6° |
| O07 | C06 | C05 | H8 | 39.3° | 14.4° |
| O07 | C06 | C08 | H10 | 92.8° | 119.8° |
| C08 | C06 | O07 | P25 | 112.4° | 115.4° |
| C06 | C08 | O09 | H10 | 125.7° | 122.2° |
| C06 | C08 | C10 | H1 | 135.0° | 108.6° |
| C08 | C06 | C05 | H8 | 79.8° | 104.5° |
| C06 | C08 | O09 | H11 | 63.3° | 177.0° |
| O07 | P25 | O24 | C23 | 74.7° | 120.7° |
| O07 | P25 | O24 | O26 | 131.9° | 120.0° |
| O07 | P25 | O24 | O27 | 114.5° | 120.0° |
| O07 | P25 | O26 | O27 | 113.4° | 120.0° |
| P25 | O07 | C06 | H9 | 13.9° | 6.7° |
| O07 | P25 | O27 | H16 | 119.6° | 179.9° |
| O09 | C08 | C10 | H1 | 15.6° | 10.2° |
| O09 | C08 | C06 | H9 | 154.6° | 124.6° |
| C12 | N11 | C16 | N15 | 0.2° | 0.0° |
| C12 | N11 | C16 | O17 | 179.9° | 179.9° |
| C12 | N11 | C10 | H1 | 161.3° | 5.7° |
| N11 | C12 | C13 | H2 | 179.8° | 179.6° |
| N11 | C16 | N15 | C14 | 0.0° | 0.1° |
| N11 | C16 | N15 | O17 | 180.0° | 179.9° |
| C16 | N11 | C10 | H1 | 18.5° | 174.2° |
| C16 | N11 | C12 | H12 | 179.7° | 180.0° |
| N11 | C16 | N15 | H13 | 179.9° | 180.0° |
| C14 | N15 | C16 | H13 | 180.0° | 179.8° |
| C14 | N15 | C16 | O17 | 180.0° | 180.0° |
| N15 | C14 | C13 | H2 | 179.9° | 179.7° |
| O18 | C14 | N15 | C16 | 180.0° | 179.9° |
| O18 | C14 | C13 | H2 | 0.1° | 0.3° |
| O18 | C14 | N15 | H13 | 0.1° | 0.1° |
| O17 | C16 | N15 | H13 | 0.0° | 0.1° |
| C23 | O24 | P25 | O26 | 153.4° | 0.7° |
| C23 | O24 | P25 | O27 | 39.8° | 119.3° |
| O24 | C23 | C22 | H4 | 72.2° | 120.3° |
| O24 | C23 | C22 | H5 | 168.1° | 0.2° |
| O24 | C23 | H14 | H15 | 120.2° | 120.0° |
| O24 | P25 | O26 | O27 | 114.6° | 120.0° |
| P25 | O24 | C23 | H14 | 59.8° | 3.6° |
| P25 | O24 | C23 | H15 | 60.4° | 116.4° |
| O24 | P25 | O27 | H16 | 119.7° | 60.1° |
| O26 | P25 | O27 | H16 | 0.0° | 59.9° |
| O28 | C29 | N30 | C38 | 117.8° | 120.0° |
| O28 | C29 | N30 | H18 | 129.3° | 120.0° |
| O28 | C29 | C38 | H18 | 117.7° | 120.0° |
| O28 | C29 | N30 | C31 | 152.5° | 125.0° |
| O28 | C29 | N30 | C35 | 26.0° | 54.8° |
| O28 | C29 | C38 | O39 | 90.0° | 175.0° |
| O28 | C29 | C38 | H22 | 144.5° | 55.1° |
| N30 | C29 | C38 | H18 | 113.4° | 120.0° |
| C29 | N30 | C31 | C35 | 178.5° | 179.8° |
| C29 | N30 | C31 | N32 | 179.0° | 180.0° |
| C29 | N30 | C31 | O37 | 1.1° | 0.0° |
| C29 | N30 | C35 | C34 | 179.0° | 179.8° |
| N30 | C29 | C38 | O39 | 141.1° | 55.0° |
| N30 | C29 | O28 | H17 | 180.0° | 60.0° |
| C29 | N30 | C35 | H21 | 1.0° | 0.0° |
| N30 | C29 | C38 | H22 | 15.5° | 65.0° |
| C38 | C29 | N30 | C31 | 89.6° | 115.0° |
| C38 | C29 | N30 | C35 | 91.8° | 65.3° |
| C29 | C38 | O39 | H22 | 123.6° | 120.0° |
| C29 | C38 | C21 | H3 | 87.4° | 60.0° |
| C38 | C29 | O28 | H17 | 63.6° | 60.1° |
| C29 | C38 | O39 | H23 | 66.7° | 60.0° |
| N30 | C31 | N32 | O37 | 179.9° | 180.0° |
| N30 | C31 | N32 | C33 | 0.2° | 0.1° |
| C31 | N30 | C35 | C34 | 0.5° | 0.5° |
| C31 | N30 | C29 | H18 | 23.2° | 5.0° |
| N30 | C31 | N32 | H19 | 179.8° | 179.9° |
| C31 | N30 | C35 | H21 | 179.6° | 179.8° |
| C35 | N30 | C31 | N32 | 0.4° | 0.2° |
| C35 | N30 | C31 | O37 | 179.6° | 179.8° |
| N30 | C35 | C34 | C33 | 0.2° | 0.4° |
| N30 | C35 | C34 | H21 | 180.0° | 179.8° |
| C35 | N30 | C29 | H18 | 155.3° | 174.7° |
| N30 | C35 | C34 | H20 | 179.8° | 179.8° |
| C31 | N32 | C33 | H19 | 180.0° | 179.9° |
| C31 | N32 | C33 | C34 | 0.1° | 0.1° |
| C31 | N32 | C33 | O36 | 179.9° | 180.0° |
| O37 | C31 | N32 | C33 | 179.9° | 180.0° |
| O37 | C31 | N32 | H19 | 0.1° | 0.1° |
| N32 | C33 | C34 | O36 | 179.9° | 179.9° |
| N32 | C33 | C34 | C35 | 0.1° | 0.2° |
| N32 | C33 | C34 | H20 | 179.9° | 180.0° |
| C33 | C34 | C35 | H20 | 180.0° | 179.8° |
| C34 | C33 | N32 | H19 | 179.9° | 180.0° |
| C33 | C34 | C35 | H21 | 179.8° | 179.8° |
| O36 | C33 | C34 | C35 | 179.9° | 179.8° |
| O36 | C33 | N32 | H19 | 0.1° | 0.1° |
| O36 | C33 | C34 | H20 | 0.1° | 0.0° |
| O39 | C38 | C21 | H3 | 155.1° | 60.0° |
| O39 | C38 | C29 | H18 | 27.7° | 65.0° |
| H1 | C10 | C08 | H10 | 103.4° | 132.5° |
| H2 | C13 | C12 | H12 | 0.3° | 0.3° |
| H3 | C21 | C22 | H4 | 91.8° | 134.8° |
| H3 | C21 | C22 | H5 | 148.5° | 105.2° |
| H3 | C21 | C38 | H22 | 29.9° | 180.0° |
| H4 | C22 | C23 | H14 | 47.8° | 119.7° |
| H4 | C22 | C23 | H15 | 168.0° | 0.3° |
| H5 | C22 | C23 | H14 | 72.0° | 120.2° |
| H5 | C22 | C23 | H15 | 48.2° | 119.8° |
| H6 | C04 | C05 | H8 | 47.8° | 121.2° |
| H7 | C04 | C05 | H8 | 72.1° | 118.8° |
| H8 | C05 | C06 | H9 | 159.1° | 136.7° |
| H9 | C06 | C08 | H10 | 31.1° | 2.4° |
| H10 | C08 | O09 | H11 | 62.5° | 60.7° |
| H17 | O28 | C29 | H18 | 51.8° | 180.0° |
| H18 | C29 | C38 | H22 | 97.8° | 175.0° |
| H20 | C34 | C35 | H21 | 0.2° | 0.0° |
| H22 | C38 | O39 | H23 | 56.9° | 180.0° |
