O5W
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C32 | doub | 1.35Å | 1.50Å | |
| C31 | N30 | sing | 1.37Å | 1.46Å | |
| C32 | C33 | sing | 1.41Å | 1.49Å | |
| C32 | C38 | sing | 1.51Å | 1.54Å | |
| C01 | N02 | sing | 1.47Å | 1.48Å | |
| C03 | C04 | sing | 1.40Å | 1.42Å | Aromatic |
| C03 | N02 | doub | 1.33Å | 1.34Å | Aromatic |
| C03 | N43 | sing | 1.38Å | 1.45Å | |
| C04 | C05 | doub | 1.40Å | 1.37Å | Aromatic |
| C04 | N08 | sing | 1.36Å | 1.36Å | Aromatic |
| C05 | N06 | sing | 1.37Å | 1.35Å | Aromatic |
| C05 | N41 | sing | 1.33Å | 1.37Å | Aromatic |
| C07 | N06 | sing | 1.36Å | 1.33Å | Aromatic |
| C07 | N08 | doub | 1.30Å | 1.34Å | Aromatic |
| C09 | C10 | sing | 1.54Å | 1.58Å | |
| C09 | N06 | sing | 1.47Å | 1.46Å | |
| C09 | O13 | sing | 1.44Å | 1.29Å | |
| C10 | C11 | sing | 1.55Å | 1.56Å | |
| C11 | C12 | sing | 1.55Å | 1.31Å | |
| C11 | O20 | sing | 1.43Å | 1.49Å | |
| C12 | C14 | sing | 1.53Å | 1.49Å | |
| C14 | O15 | sing | 1.43Å | 1.41Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | O23 | sing | 1.43Å | 1.44Å | |
| C25 | C26 | sing | 1.54Å | 1.60Å | |
| C25 | O29 | sing | 1.44Å | 1.27Å | |
| C26 | C27 | sing | 1.55Å | 1.52Å | |
| C26 | O39 | sing | 1.43Å | 1.35Å | |
| C27 | C28 | sing | 1.55Å | 1.34Å | |
| C28 | N30 | sing | 1.47Å | 1.42Å | |
| C28 | O29 | sing | 1.44Å | 1.65Å | |
| C33 | N34 | sing | 1.35Å | 1.45Å | |
| C33 | O37 | doub | 1.22Å | 1.18Å | |
| C35 | N30 | sing | 1.34Å | 1.49Å | |
| C35 | N34 | sing | 1.35Å | 1.49Å | |
| C35 | O36 | doub | 1.22Å | 1.19Å | |
| C42 | N02 | sing | 1.32Å | 1.33Å | Aromatic |
| C42 | N41 | doub | 1.32Å | 1.33Å | Aromatic |
| O15 | P16 | sing | 1.61Å | 1.67Å | |
| O17 | P16 | doub | 1.48Å | 1.46Å | |
| O18 | P16 | sing | 1.61Å | 1.64Å | |
| O19 | P16 | doub | 1.48Å | 1.46Å | |
| O20 | P21 | sing | 1.61Å | 1.69Å | |
| O22 | P21 | doub | 1.48Å | 1.46Å | |
| O23 | P21 | sing | 1.61Å | 1.68Å | |
| O40 | P21 | doub | 1.48Å | 1.46Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C38 | H383 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.08Å | 1.08Å | |
| N34 | H341 | sing | 0.97Å | 1.00Å | |
| N43 | H431 | sing | 0.97Å | 1.00Å | |
| N43 | H432 | sing | 0.97Å | 1.00Å | |
| O18 | H181 | sing | 0.97Å | 0.95Å | |
| O39 | H391 | sing | 0.97Å | 0.95Å | |
| C12 | O13 | sing | 1.44Å | 1.67Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C31 | N30 | 120.1° | 119.7° |
| C31 | C32 | C33 | 119.9° | 119.1° |
| C31 | C32 | C38 | 120.3° | 120.4° |
| C32 | C31 | H311 | 119.9° | 120.2° |
| C31 | N30 | C28 | 120.7° | 119.7° |
| C31 | N30 | C35 | 119.7° | 120.6° |
| N30 | C31 | H311 | 120.0° | 120.1° |
| C33 | C32 | C38 | 119.8° | 120.5° |
| C32 | C33 | N34 | 119.9° | 119.4° |
| C32 | C33 | O37 | 119.8° | 120.3° |
| C32 | C38 | H383 | 109.5° | 109.5° |
| C32 | C38 | H382 | 109.5° | 109.5° |
| C32 | C38 | H381 | 109.4° | 109.5° |
| C01 | N02 | C03 | 119.0° | 119.4° |
| C01 | N02 | C42 | 118.8° | 119.4° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| N02 | C01 | H011 | 109.4° | 109.4° |
| N02 | C01 | H013 | 109.5° | 109.5° |
| C04 | C03 | N02 | 118.1° | 118.5° |
| C04 | C03 | N43 | 120.1° | 120.8° |
| C03 | C04 | C05 | 117.6° | 118.2° |
| C03 | C04 | N08 | 134.7° | 134.7° |
| N02 | C03 | N43 | 121.8° | 120.8° |
| C03 | N02 | C42 | 122.2° | 121.2° |
| C03 | N43 | H431 | 120.0° | 120.0° |
| C03 | N43 | H432 | 120.0° | 120.0° |
| C05 | C04 | N08 | 107.7° | 107.1° |
| C04 | C05 | N06 | 106.5° | 106.0° |
| C04 | C05 | N41 | 121.6° | 119.0° |
| C04 | N08 | C07 | 108.0° | 109.4° |
| N06 | C05 | N41 | 131.9° | 134.9° |
| C05 | N06 | C07 | 109.8° | 107.5° |
| C05 | N06 | C09 | 122.7° | 126.3° |
| C05 | N41 | C42 | 118.5° | 120.7° |
| N06 | C07 | N08 | 108.1° | 110.0° |
| C07 | N06 | C09 | 127.5° | 126.2° |
| N06 | C07 | H071 | 125.9° | 125.1° |
| N08 | C07 | H071 | 125.9° | 125.0° |
| C10 | C09 | N06 | 112.4° | 109.9° |
| C10 | C09 | O13 | 107.4° | 107.3° |
| C09 | C10 | C11 | 100.8° | 104.2° |
| C10 | C09 | H091 | 108.0° | 109.9° |
| C09 | C10 | H101 | 111.6° | 110.5° |
| C09 | C10 | H102 | 111.6° | 110.5° |
| N06 | C09 | O13 | 107.4° | 109.9° |
| N06 | C09 | H091 | 109.5° | 109.9° |
| O13 | C09 | H091 | 112.2° | 110.0° |
| C09 | O13 | C12 | 107.1° | 107.0° |
| C10 | C11 | C12 | 106.2° | 102.1° |
| C10 | C11 | O20 | 106.8° | 110.9° |
| C11 | C10 | H101 | 111.6° | 110.5° |
| C11 | C10 | H102 | 111.6° | 110.4° |
| C10 | C11 | H111 | 109.9° | 110.9° |
| C12 | C11 | O20 | 108.8° | 110.9° |
| C11 | C12 | C14 | 112.5° | 110.6° |
| C12 | C11 | H111 | 113.9° | 110.9° |
| C11 | C12 | H1 | 112.3° | 110.6° |
| C11 | C12 | O13 | 106.2° | 103.5° |
| C11 | O20 | P21 | 118.3° | 123.0° |
| O20 | C11 | H111 | 110.8° | 110.8° |
| C12 | C14 | O15 | 108.4° | 109.5° |
| C14 | C12 | H1 | 109.4° | 110.6° |
| C12 | C14 | H141 | 109.8° | 109.5° |
| C12 | C14 | H142 | 109.7° | 109.5° |
| C14 | C12 | O13 | 108.9° | 110.6° |
| C14 | O15 | P16 | 118.3° | 123.0° |
| O15 | C14 | H141 | 109.7° | 109.5° |
| O15 | C14 | H142 | 109.7° | 109.4° |
| C25 | C24 | O23 | 108.2° | 109.5° |
| C24 | C25 | C26 | 111.8° | 110.4° |
| C24 | C25 | O29 | 110.5° | 110.4° |
| C25 | C24 | H242 | 109.8° | 109.4° |
| C25 | C24 | H241 | 109.8° | 109.4° |
| C24 | C25 | H251 | 109.4° | 110.3° |
| C24 | O23 | P21 | 117.3° | 123.0° |
| O23 | C24 | H242 | 109.8° | 109.5° |
| O23 | C24 | H241 | 109.8° | 109.5° |
| C26 | C25 | O29 | 102.6° | 104.8° |
| C25 | C26 | C27 | 102.3° | 104.1° |
| C25 | C26 | O39 | 111.2° | 110.5° |
| C26 | C25 | H251 | 108.7° | 110.4° |
| C25 | C26 | H261 | 109.0° | 110.5° |
| C25 | O29 | C28 | 104.8° | 105.3° |
| O29 | C25 | H251 | 113.7° | 110.4° |
| C27 | C26 | O39 | 111.2° | 110.5° |
| C26 | C27 | C28 | 105.8° | 104.1° |
| C27 | C26 | H261 | 110.0° | 110.5° |
| C26 | C27 | H272 | 110.4° | 110.5° |
| C26 | C27 | H271 | 110.4° | 110.6° |
| O39 | C26 | H261 | 112.7° | 110.6° |
| C26 | O39 | H391 | 109.5° | 114.0° |
| C27 | C28 | N30 | 110.8° | 110.4° |
| C27 | C28 | O29 | 107.2° | 104.8° |
| C28 | C27 | H272 | 110.4° | 110.5° |
| C28 | C27 | H271 | 110.4° | 110.5° |
| C27 | C28 | H281 | 111.3° | 110.4° |
| N30 | C28 | O29 | 110.3° | 110.4° |
| C28 | N30 | C35 | 119.6° | 119.7° |
| N30 | C28 | H281 | 110.0° | 110.3° |
| O29 | C28 | H281 | 107.2° | 110.5° |
| N34 | C33 | O37 | 120.3° | 120.3° |
| C33 | N34 | C35 | 120.2° | 120.2° |
| C33 | N34 | H341 | 119.9° | 119.9° |
| N30 | C35 | N34 | 120.1° | 120.9° |
| N30 | C35 | O36 | 119.8° | 119.5° |
| N34 | C35 | O36 | 120.1° | 119.5° |
| C35 | N34 | H341 | 119.8° | 119.8° |
| N02 | C42 | N41 | 122.0° | 122.5° |
| N02 | C42 | H421 | 119.0° | 118.8° |
| N41 | C42 | H421 | 119.0° | 118.8° |
| O15 | P16 | O17 | 111.1° | 109.5° |
| O15 | P16 | O18 | 110.3° | 109.4° |
| O15 | P16 | O19 | 110.3° | 109.5° |
| O17 | P16 | O18 | 112.2° | 109.5° |
| O17 | P16 | O19 | 101.9° | 109.5° |
| O18 | P16 | O19 | 110.9° | 109.5° |
| P16 | O18 | H181 | 109.5° | 114.0° |
| O20 | P21 | O22 | 113.5° | 109.5° |
| O20 | P21 | O23 | 109.4° | 109.5° |
| O20 | P21 | O40 | 109.9° | 109.5° |
| O22 | P21 | O23 | 112.7° | 109.5° |
| O22 | P21 | O40 | 99.1° | 109.5° |
| O23 | P21 | O40 | 111.8° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H101 | C10 | H102 | 109.5° | 110.6° |
| H1 | C12 | O13 | 107.3° | 110.7° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| H242 | C24 | H241 | 109.5° | 109.5° |
| H272 | C27 | H271 | 109.5° | 110.6° |
| H383 | C38 | H382 | 109.4° | 109.4° |
| H383 | C38 | H381 | 109.5° | 109.4° |
| H382 | C38 | H381 | 109.5° | 109.4° |
| H431 | N43 | H432 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C31 | N30 | H311 | 180.0° | 179.6° |
| C31 | C32 | C33 | C38 | 179.9° | 179.9° |
| C32 | C31 | N30 | C28 | 179.6° | 180.0° |
| C31 | C32 | C33 | N34 | 0.1° | 0.0° |
| C31 | C32 | C33 | O37 | 179.9° | 180.0° |
| C32 | C31 | N30 | C35 | 0.3° | 0.1° |
| C31 | C32 | C38 | H383 | 180.0° | 90.0° |
| C31 | C32 | C38 | H382 | 60.0° | 150.0° |
| C31 | C32 | C38 | H381 | 60.0° | 30.0° |
| N30 | C31 | C32 | C33 | 0.3° | 0.1° |
| N30 | C31 | C32 | C38 | 179.8° | 180.0° |
| C31 | N30 | C28 | C27 | 63.8° | 115.0° |
| C31 | N30 | C28 | C35 | 179.9° | 179.9° |
| C31 | N30 | C28 | O29 | 54.7° | 129.7° |
| C31 | N30 | C35 | N34 | 0.2° | 0.1° |
| C31 | N30 | C35 | O36 | 180.0° | 180.0° |
| C31 | N30 | C28 | H281 | 172.8° | 7.2° |
| C32 | C33 | N34 | O37 | 180.0° | 180.0° |
| C32 | C33 | N34 | C35 | 0.1° | 0.0° |
| C33 | C32 | C31 | H311 | 179.7° | 179.7° |
| C33 | C32 | C38 | H383 | 0.1° | 90.1° |
| C33 | C32 | C38 | H382 | 119.9° | 30.0° |
| C33 | C32 | C38 | H381 | 120.1° | 150.0° |
| C32 | C33 | N34 | H341 | 179.9° | 180.0° |
| C38 | C32 | C33 | N34 | 180.0° | 180.0° |
| C38 | C32 | C33 | O37 | 0.0° | 0.0° |
| C38 | C32 | C31 | H311 | 0.2° | 0.4° |
| C32 | C38 | H383 | H382 | 120.0° | 120.1° |
| C32 | C38 | H383 | H381 | 120.0° | 120.0° |
| C32 | C38 | H382 | H381 | 120.0° | 120.0° |
| C01 | N02 | C03 | C04 | 179.6° | 180.0° |
| C01 | N02 | C03 | C42 | 179.8° | 179.9° |
| C01 | N02 | C03 | N43 | 0.3° | 0.3° |
| C01 | N02 | C42 | N41 | 179.6° | 180.0° |
| N02 | C01 | H012 | H011 | 120.0° | 120.0° |
| N02 | C01 | H012 | H013 | 120.0° | 120.0° |
| N02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C01 | N02 | C42 | H421 | 0.4° | 0.0° |
| C04 | C03 | N02 | N43 | 179.9° | 179.7° |
| C03 | C04 | C05 | N08 | 179.9° | 180.0° |
| C03 | C04 | C05 | N06 | 179.6° | 180.0° |
| C03 | C04 | C05 | N41 | 0.1° | 0.1° |
| C03 | C04 | N08 | C07 | 180.0° | 180.0° |
| C04 | C03 | N02 | C42 | 0.2° | 0.1° |
| C04 | C03 | N43 | H431 | 179.9° | 0.0° |
| C04 | C03 | N43 | H432 | 0.1° | 179.9° |
| N02 | C03 | C04 | C05 | 0.1° | 0.1° |
| N02 | C03 | C04 | N08 | 179.8° | 180.0° |
| C03 | N02 | C42 | N41 | 0.3° | 0.0° |
| C03 | N02 | C01 | H012 | 180.0° | 90.0° |
| C03 | N02 | C01 | H011 | 60.0° | 150.0° |
| C03 | N02 | C01 | H013 | 60.0° | 30.1° |
| C03 | N02 | C42 | H421 | 179.7° | 180.0° |
| N02 | C03 | N43 | H431 | 0.0° | 179.6° |
| N02 | C03 | N43 | H432 | 180.0° | 0.3° |
| N43 | C03 | C04 | C05 | 180.0° | 179.7° |
| N43 | C03 | C04 | N08 | 0.1° | 0.3° |
| N43 | C03 | N02 | C42 | 179.9° | 179.7° |
| C03 | N43 | H431 | H432 | 180.0° | 179.9° |
| C04 | C05 | N06 | N41 | 179.5° | 180.0° |
| C04 | C05 | N06 | C07 | 0.5° | 0.0° |
| C05 | C04 | N08 | C07 | 0.1° | 0.0° |
| C04 | C05 | N06 | C09 | 178.8° | 180.0° |
| C04 | C05 | N41 | C42 | 0.1° | 0.0° |
| N08 | C04 | C05 | N06 | 0.3° | 0.0° |
| N08 | C04 | C05 | N41 | 179.8° | 180.0° |
| C04 | N08 | C07 | N06 | 0.4° | 0.0° |
| C04 | N08 | C07 | H071 | 179.6° | 180.0° |
| C05 | N06 | C07 | C09 | 178.2° | 180.0° |
| C05 | N06 | C07 | N08 | 0.6° | 0.0° |
| C05 | N06 | C09 | C10 | 125.2° | 85.0° |
| C05 | N06 | C09 | O13 | 116.9° | 157.2° |
| N06 | C05 | N41 | C42 | 179.6° | 180.0° |
| C05 | N06 | C07 | H071 | 179.4° | 180.0° |
| C05 | N06 | C09 | H091 | 5.2° | 36.1° |
| N41 | C05 | N06 | C07 | 180.0° | 180.0° |
| N41 | C05 | N06 | C09 | 1.7° | 0.0° |
| C05 | N41 | C42 | N02 | 0.2° | 0.0° |
| C05 | N41 | C42 | H421 | 179.8° | 180.0° |
| N06 | C07 | N08 | H071 | 180.0° | 180.0° |
| C07 | N06 | C09 | C10 | 56.8° | 95.0° |
| C07 | N06 | C09 | O13 | 61.1° | 22.8° |
| C07 | N06 | C09 | H091 | 176.9° | 143.9° |
| N08 | C07 | N06 | C09 | 178.8° | 180.0° |
| C10 | C09 | N06 | O13 | 117.9° | 117.8° |
| C10 | C09 | N06 | H091 | 120.0° | 121.0° |
| C10 | C09 | O13 | H091 | 118.5° | 119.5° |
| C09 | C10 | C11 | H101 | 118.6° | 118.7° |
| C09 | C10 | C11 | H102 | 118.6° | 118.7° |
| C09 | C10 | C11 | C12 | 35.0° | 20.9° |
| C09 | C10 | C11 | O20 | 81.0° | 139.1° |
| C09 | C10 | H101 | H102 | 124.1° | 122.7° |
| C09 | C10 | C11 | H111 | 158.7° | 97.3° |
| C10 | C09 | O13 | C12 | 16.0° | 26.5° |
| N06 | C09 | O13 | H091 | 120.4° | 121.1° |
| N06 | C09 | C10 | C11 | 148.5° | 121.4° |
| C09 | N06 | C07 | H071 | 1.2° | 0.0° |
| N06 | C09 | C10 | H101 | 92.9° | 119.9° |
| N06 | C09 | C10 | H102 | 30.0° | 2.8° |
| N06 | C09 | O13 | C12 | 137.2° | 145.9° |
| O13 | C09 | C10 | C11 | 30.6° | 2.0° |
| C09 | O13 | C12 | C11 | 6.8° | 40.1° |
| C09 | O13 | C12 | C14 | 114.7° | 158.6° |
| O13 | C09 | C10 | H101 | 149.2° | 120.7° |
| O13 | C09 | C10 | H102 | 88.0° | 116.6° |
| C09 | O13 | C12 | H1 | 127.0° | 78.5° |
| C10 | C11 | C12 | O20 | 114.7° | 118.2° |
| C10 | C11 | C12 | H111 | 121.1° | 118.2° |
| C10 | C11 | O20 | H111 | 119.7° | 123.7° |
| C10 | C11 | C12 | C14 | 92.9° | 155.5° |
| C10 | C11 | O20 | P21 | 169.9° | 121.4° |
| C11 | C10 | C09 | H091 | 90.6° | 117.6° |
| C11 | C10 | H101 | H102 | 124.0° | 122.5° |
| C10 | C11 | C12 | H1 | 143.2° | 81.6° |
| C10 | C11 | C12 | O13 | 26.2° | 37.0° |
| C12 | C11 | O20 | H111 | 126.0° | 123.6° |
| C11 | C12 | C14 | H1 | 125.5° | 122.9° |
| C11 | C12 | C14 | O13 | 117.5° | 114.1° |
| C11 | C12 | C14 | O15 | 57.1° | 175.0° |
| C12 | C11 | O20 | P21 | 75.8° | 125.9° |
| C12 | C11 | C10 | H101 | 153.6° | 97.8° |
| C12 | C11 | C10 | H102 | 83.6° | 139.6° |
| C11 | C12 | H1 | O13 | 116.3° | 114.1° |
| C11 | C12 | C14 | H141 | 176.9° | 55.0° |
| C11 | C12 | C14 | H142 | 62.7° | 65.0° |
| O20 | C11 | C12 | C14 | 152.4° | 86.3° |
| C11 | O20 | P21 | O22 | 112.3° | 45.0° |
| C11 | O20 | P21 | O23 | 120.8° | 165.0° |
| C11 | O20 | P21 | O40 | 2.4° | 75.0° |
| O20 | C11 | C10 | H101 | 37.5° | 20.4° |
| O20 | C11 | C10 | H102 | 160.4° | 102.2° |
| O20 | C11 | C12 | H1 | 28.5° | 36.6° |
| O20 | C11 | C12 | O13 | 88.5° | 155.2° |
| C12 | C14 | O15 | H141 | 119.8° | 120.0° |
| C12 | C14 | O15 | H142 | 119.8° | 120.0° |
| C12 | C14 | O15 | P16 | 156.0° | 180.0° |
| C14 | C12 | C11 | H111 | 28.2° | 37.3° |
| C14 | C12 | H1 | O13 | 118.0° | 123.0° |
| C12 | C14 | H141 | H142 | 120.5° | 120.0° |
| C14 | O15 | P16 | O17 | 77.6° | 45.0° |
| C14 | O15 | P16 | O18 | 157.4° | 165.0° |
| C14 | O15 | P16 | O19 | 34.6° | 75.0° |
| O15 | C14 | C12 | H1 | 177.4° | 52.1° |
| O15 | C14 | H141 | H142 | 120.5° | 120.0° |
| O15 | C14 | C12 | O13 | 60.4° | 70.9° |
| C25 | C24 | O23 | H242 | 119.8° | 120.0° |
| C25 | C24 | O23 | H241 | 119.8° | 119.9° |
| C24 | C25 | C26 | O29 | 118.4° | 118.9° |
| C24 | C25 | C26 | H251 | 120.9° | 122.2° |
| C24 | C25 | O29 | H251 | 123.5° | 122.2° |
| C24 | C25 | C26 | C27 | 160.4° | 142.9° |
| C24 | C25 | C26 | O39 | 80.9° | 98.5° |
| C24 | C25 | O29 | C28 | 157.3° | 159.4° |
| C25 | C24 | O23 | P21 | 112.8° | 179.9° |
| C25 | C24 | H242 | H241 | 120.6° | 119.9° |
| C24 | C25 | C26 | H261 | 43.9° | 24.2° |
| O23 | C24 | C25 | C26 | 55.5° | 175.0° |
| O23 | C24 | C25 | O29 | 169.1° | 69.5° |
| C24 | O23 | P21 | O20 | 106.8° | 165.0° |
| C24 | O23 | P21 | O22 | 125.9° | 75.0° |
| C24 | O23 | P21 | O40 | 15.2° | 45.0° |
| O23 | C24 | H242 | H241 | 120.6° | 120.1° |
| O23 | C24 | C25 | H251 | 65.0° | 52.8° |
| C26 | C25 | O29 | H251 | 117.2° | 118.9° |
| C25 | C26 | C27 | O39 | 118.8° | 118.7° |
| C25 | C26 | C27 | H261 | 115.7° | 118.7° |
| C25 | C26 | O39 | H261 | 122.7° | 122.7° |
| C25 | C26 | C27 | C28 | 25.6° | 0.0° |
| C26 | C25 | O29 | C28 | 37.9° | 40.5° |
| C26 | C25 | C24 | H242 | 64.3° | 54.9° |
| C26 | C25 | C24 | H241 | 175.3° | 65.0° |
| C25 | C26 | C27 | H272 | 145.0° | 118.6° |
| C25 | C26 | C27 | H271 | 93.8° | 118.7° |
| C25 | C26 | O39 | H391 | 180.0° | 180.0° |
| O29 | C25 | C26 | C27 | 41.9° | 23.9° |
| O29 | C25 | C26 | O39 | 160.7° | 142.5° |
| C25 | O29 | C28 | C27 | 23.8° | 40.5° |
| C25 | O29 | C28 | N30 | 144.5° | 159.3° |
| O29 | C25 | C24 | H242 | 49.3° | 170.4° |
| O29 | C25 | C24 | H241 | 71.1° | 50.4° |
| O29 | C25 | C26 | H261 | 74.5° | 94.7° |
| C25 | O29 | C28 | H281 | 95.8° | 78.4° |
| C27 | C26 | O39 | H261 | 124.0° | 122.6° |
| C26 | C27 | C28 | H272 | 119.4° | 118.6° |
| C26 | C27 | C28 | H271 | 119.4° | 118.7° |
| C26 | C27 | C28 | N30 | 115.7° | 142.8° |
| C26 | C27 | C28 | O29 | 4.6° | 24.0° |
| C27 | C26 | C25 | H251 | 78.7° | 95.0° |
| C26 | C27 | H272 | H271 | 121.7° | 122.7° |
| C26 | C27 | C28 | H281 | 121.6° | 95.0° |
| C27 | C26 | O39 | H391 | 66.7° | 65.4° |
| O39 | C26 | C27 | C28 | 144.4° | 118.6° |
| O39 | C26 | C25 | H251 | 40.0° | 23.6° |
| O39 | C26 | C27 | H272 | 96.2° | 122.8° |
| O39 | C26 | C27 | H271 | 25.0° | 0.0° |
| C27 | C28 | N30 | O29 | 118.5° | 115.4° |
| C27 | C28 | N30 | H281 | 123.4° | 122.2° |
| C27 | C28 | O29 | H281 | 119.6° | 118.9° |
| C27 | C28 | N30 | C35 | 116.1° | 65.0° |
| C28 | C27 | C26 | H261 | 90.1° | 118.7° |
| C28 | C27 | H272 | H271 | 121.7° | 122.6° |
| N30 | C28 | O29 | H281 | 119.7° | 122.3° |
| C28 | N30 | C35 | N34 | 179.8° | 180.0° |
| C28 | N30 | C35 | O36 | 0.1° | 0.0° |
| C28 | N30 | C31 | H311 | 0.4° | 0.3° |
| N30 | C28 | C27 | H272 | 3.7° | 24.2° |
| N30 | C28 | C27 | H271 | 124.8° | 98.5° |
| O29 | C28 | N30 | C35 | 125.3° | 50.4° |
| C28 | O29 | C25 | H251 | 79.2° | 78.4° |
| O29 | C28 | C27 | H272 | 124.0° | 94.7° |
| O29 | C28 | C27 | H271 | 114.8° | 142.6° |
| C33 | N34 | C35 | N30 | 0.0° | 0.0° |
| C33 | N34 | C35 | H341 | 180.0° | 180.0° |
| C33 | N34 | C35 | O36 | 179.8° | 180.0° |
| O37 | C33 | N34 | C35 | 180.0° | 180.0° |
| O37 | C33 | N34 | H341 | 0.1° | 0.0° |
| N30 | C35 | N34 | O36 | 179.9° | 179.9° |
| C35 | N30 | C31 | H311 | 179.7° | 179.7° |
| C35 | N30 | C28 | H281 | 7.3° | 172.8° |
| N30 | C35 | N34 | H341 | 180.0° | 180.0° |
| O36 | C35 | N34 | H341 | 0.2° | 0.1° |
| N02 | C42 | N41 | H421 | 180.0° | 180.0° |
| C42 | N02 | C01 | H012 | 0.2° | 90.0° |
| C42 | N02 | C01 | H011 | 120.2° | 30.0° |
| C42 | N02 | C01 | H013 | 119.8° | 150.0° |
| O15 | P16 | O17 | O18 | 124.0° | 120.0° |
| O15 | P16 | O17 | O19 | 117.4° | 120.0° |
| O15 | P16 | O18 | O19 | 122.4° | 120.0° |
| P16 | O15 | C14 | H141 | 84.2° | 60.0° |
| P16 | O15 | C14 | H142 | 36.2° | 60.0° |
| O15 | P16 | O18 | H181 | 122.4° | 180.0° |
| O17 | P16 | O18 | O19 | 113.2° | 120.0° |
| O17 | P16 | O18 | H181 | 113.2° | 60.0° |
| O19 | P16 | O18 | H181 | 0.0° | 60.0° |
| O20 | P21 | O22 | O23 | 125.1° | 120.0° |
| O20 | P21 | O22 | O40 | 116.5° | 120.0° |
| O20 | P21 | O23 | O40 | 122.0° | 120.0° |
| P21 | O20 | C11 | H111 | 50.2° | 2.2° |
| O22 | P21 | O23 | O40 | 110.7° | 120.0° |
| P21 | O23 | C24 | H242 | 7.0° | 60.0° |
| P21 | O23 | C24 | H241 | 127.4° | 60.0° |
| H012 | C01 | H011 | H013 | 120.0° | 120.0° |
| H091 | C09 | C10 | H101 | 28.0° | 1.1° |
| H091 | C09 | C10 | H102 | 150.9° | 123.8° |
| H091 | C09 | O13 | C12 | 102.4° | 93.0° |
| H101 | C10 | C11 | H111 | 82.8° | 144.0° |
| H102 | C10 | C11 | H111 | 40.1° | 21.4° |
| H111 | C11 | C12 | H1 | 95.8° | 160.2° |
| H111 | C11 | C12 | O13 | 147.3° | 81.2° |
| H1 | C12 | C14 | H141 | 57.6° | 67.9° |
| H1 | C12 | C14 | H142 | 62.8° | 172.1° |
| H141 | C14 | C12 | O13 | 59.4° | 169.1° |
| H142 | C14 | C12 | O13 | 179.8° | 49.1° |
| H242 | C24 | C25 | H251 | 175.2° | 67.3° |
| H241 | C24 | C25 | H251 | 54.8° | 172.7° |
| H251 | C25 | C26 | H261 | 164.8° | 146.4° |
| H261 | C26 | C27 | H272 | 29.3° | 0.1° |
| H261 | C26 | C27 | H271 | 150.5° | 122.7° |
| H261 | C26 | O39 | H391 | 57.3° | 57.2° |
| H272 | C27 | C28 | H281 | 119.0° | 146.4° |
| H271 | C27 | C28 | H281 | 2.1° | 23.7° |
| H383 | C38 | H382 | H381 | 120.0° | 119.9° |
