91P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O45 | C44 | doub | 1.22Å | 1.24Å | |
| N46 | C44 | sing | 1.35Å | 1.51Å | |
| N46 | C47 | sing | 1.36Å | 1.48Å | |
| N37 | C33 | sing | 1.38Å | 1.51Å | |
| C44 | C43 | sing | 1.41Å | 1.48Å | |
| N49 | C47 | sing | 1.37Å | 1.48Å | |
| C47 | N48 | doub | 1.31Å | 1.41Å | |
| C33 | N34 | doub | 1.33Å | 1.35Å | |
| C33 | C32 | sing | 1.41Å | 1.50Å | |
| C43 | N02 | sing | 1.38Å | 1.45Å | Aromatic |
| C43 | C42 | doub | 1.40Å | 1.41Å | Aromatic |
| C01 | N02 | sing | 1.46Å | 1.53Å | |
| N34 | C35 | sing | 1.33Å | 1.46Å | |
| N48 | C42 | sing | 1.35Å | 1.44Å | |
| N02 | C03 | sing | 1.35Å | 1.38Å | Aromatic |
| C32 | C31 | doub | 1.35Å | 1.41Å | |
| C42 | N04 | sing | 1.34Å | 1.44Å | Aromatic |
| C35 | O36 | doub | 1.22Å | 1.21Å | |
| C35 | N30 | sing | 1.35Å | 1.49Å | |
| C03 | N04 | doub | 1.31Å | 1.41Å | Aromatic |
| C31 | N30 | sing | 1.36Å | 1.42Å | |
| N04 | C05 | sing | 1.46Å | 1.55Å | |
| N30 | C25 | sing | 1.47Å | 1.50Å | |
| C05 | O06 | sing | 1.44Å | 1.39Å | |
| C05 | C40 | sing | 1.54Å | 1.62Å | |
| C25 | O24 | sing | 1.44Å | 1.42Å | |
| C25 | C26 | sing | 1.55Å | 1.61Å | |
| O06 | C07 | sing | 1.44Å | 1.47Å | |
| O41 | C40 | sing | 1.43Å | 1.40Å | |
| C40 | C38 | sing | 1.55Å | 1.60Å | |
| O24 | C23 | sing | 1.44Å | 1.45Å | |
| O27 | C26 | sing | 1.43Å | 1.39Å | |
| C26 | C28 | sing | 1.55Å | 1.59Å | |
| O09 | P10 | sing | 1.61Å | 1.80Å | |
| O09 | C08 | sing | 1.43Å | 1.37Å | |
| O12 | P10 | doub | 1.48Å | 1.51Å | |
| O11 | P10 | sing | 1.61Å | 1.51Å | |
| C07 | C08 | sing | 1.53Å | 1.60Å | |
| C07 | C38 | sing | 1.55Å | 1.63Å | |
| P10 | O13 | sing | 1.61Å | 1.87Å | |
| C38 | O39 | sing | 1.43Å | 1.37Å | |
| C23 | C28 | sing | 1.54Å | 1.62Å | |
| C23 | C22 | sing | 1.53Å | 1.57Å | |
| C28 | O29 | sing | 1.43Å | 1.41Å | |
| C22 | O21 | sing | 1.43Å | 1.39Å | |
| O13 | P14 | sing | 1.61Å | 1.65Å | |
| O17 | P14 | sing | 1.61Å | 1.69Å | |
| O17 | P18 | sing | 1.61Å | 1.77Å | |
| O21 | P18 | sing | 1.61Å | 1.75Å | |
| O16 | P14 | doub | 1.48Å | 1.82Å | |
| O20 | P18 | doub | 1.48Å | 1.51Å | |
| P14 | O15 | sing | 1.61Å | 1.47Å | |
| P18 | O19 | sing | 1.61Å | 1.57Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| N37 | H371 | sing | 0.97Å | 1.00Å | |
| N37 | H372 | sing | 0.97Å | 1.00Å | |
| N46 | H461 | sing | 0.97Å | 1.00Å | |
| N49 | H491 | sing | 0.97Å | 1.00Å | |
| N49 | H492 | sing | 0.97Å | 1.00Å | |
| O11 | H1 | sing | 0.97Å | 0.95Å | |
| O15 | H2 | sing | 0.97Å | 0.95Å | |
| O19 | H3 | sing | 0.97Å | 0.95Å | |
| O27 | H271 | sing | 0.97Å | 0.95Å | |
| O29 | H291 | sing | 0.97Å | 0.95Å | |
| O39 | H391 | sing | 0.97Å | 0.95Å | |
| O41 | H411 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O45 | C44 | N46 | 119.6° | 120.8° |
| O45 | C44 | C43 | 124.8° | 120.8° |
| C44 | N46 | C47 | 122.4° | 120.3° |
| N46 | C44 | C43 | 115.7° | 118.4° |
| C44 | N46 | H461 | 118.8° | 119.8° |
| N46 | C47 | N49 | 120.2° | 119.0° |
| N46 | C47 | N48 | 117.2° | 122.0° |
| C47 | N46 | H461 | 118.8° | 119.9° |
| N37 | C33 | N34 | 123.6° | 120.2° |
| N37 | C33 | C32 | 119.3° | 120.2° |
| C33 | N37 | H371 | 120.0° | 120.0° |
| C33 | N37 | H372 | 120.0° | 120.0° |
| C44 | C43 | N02 | 131.4° | 134.8° |
| C44 | C43 | C42 | 120.2° | 119.1° |
| N49 | C47 | N48 | 122.5° | 119.0° |
| C47 | N49 | H491 | 120.0° | 120.0° |
| C47 | N49 | H492 | 120.0° | 120.0° |
| C47 | N48 | C42 | 121.9° | 121.0° |
| N34 | C33 | C32 | 117.1° | 119.6° |
| C33 | N34 | C35 | 127.0° | 120.7° |
| C33 | C32 | C31 | 119.1° | 119.0° |
| C33 | C32 | H321 | 120.4° | 120.5° |
| N02 | C43 | C42 | 108.5° | 106.2° |
| C43 | N02 | C01 | 127.8° | 126.4° |
| C43 | N02 | C03 | 108.0° | 107.1° |
| C43 | C42 | N48 | 122.6° | 119.3° |
| C43 | C42 | N04 | 106.0° | 106.9° |
| C01 | N02 | C03 | 124.2° | 126.5° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C01 | H013 | 109.5° | 109.5° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| N34 | C35 | O36 | 120.6° | 119.5° |
| N34 | C35 | N30 | 114.6° | 121.0° |
| N48 | C42 | N04 | 131.4° | 133.9° |
| N02 | C03 | N04 | 108.4° | 110.0° |
| N02 | C03 | H031 | 125.8° | 125.0° |
| C32 | C31 | N30 | 122.5° | 119.3° |
| C32 | C31 | H311 | 118.7° | 120.3° |
| C31 | C32 | H321 | 120.4° | 120.5° |
| C42 | N04 | C03 | 109.1° | 109.8° |
| C42 | N04 | C05 | 127.1° | 125.1° |
| O36 | C35 | N30 | 124.8° | 119.5° |
| C35 | N30 | C31 | 119.7° | 120.4° |
| C35 | N30 | C25 | 116.5° | 119.8° |
| C03 | N04 | C05 | 123.7° | 125.1° |
| N04 | C03 | H031 | 125.8° | 125.0° |
| C31 | N30 | C25 | 123.7° | 119.8° |
| N30 | C31 | H311 | 118.7° | 120.4° |
| N04 | C05 | O06 | 115.1° | 110.3° |
| N04 | C05 | C40 | 110.3° | 110.4° |
| N04 | C05 | H051 | 107.2° | 110.4° |
| N30 | C25 | O24 | 113.8° | 110.6° |
| N30 | C25 | C26 | 110.0° | 110.6° |
| N30 | C25 | H251 | 109.5° | 110.7° |
| O06 | C05 | C40 | 108.3° | 104.8° |
| C05 | O06 | C07 | 114.5° | 105.3° |
| O06 | C05 | H051 | 109.2° | 110.3° |
| C05 | C40 | O41 | 114.7° | 110.5° |
| C05 | C40 | C38 | 97.5° | 104.1° |
| C40 | C05 | H051 | 106.4° | 110.4° |
| C05 | C40 | H401 | 110.0° | 110.5° |
| O24 | C25 | C26 | 104.6° | 103.5° |
| C25 | O24 | C23 | 112.2° | 107.0° |
| O24 | C25 | H251 | 110.7° | 110.6° |
| C25 | C26 | O27 | 114.9° | 111.0° |
| C25 | C26 | C28 | 98.1° | 102.1° |
| C25 | C26 | H261 | 108.6° | 110.9° |
| C26 | C25 | H251 | 108.1° | 110.6° |
| O06 | C07 | C08 | 114.0° | 110.4° |
| O06 | C07 | C38 | 101.5° | 104.8° |
| O06 | C07 | H071 | 112.4° | 110.5° |
| O41 | C40 | C38 | 110.1° | 110.5° |
| O41 | C40 | H401 | 113.2° | 110.6° |
| C40 | O41 | H411 | 109.5° | 114.0° |
| C40 | C38 | C07 | 103.0° | 104.0° |
| C40 | C38 | O39 | 107.6° | 110.5° |
| C40 | C38 | H381 | 110.2° | 110.6° |
| C38 | C40 | H401 | 110.3° | 110.5° |
| O24 | C23 | C28 | 104.7° | 107.3° |
| O24 | C23 | C22 | 115.6° | 109.8° |
| O24 | C23 | H231 | 111.6° | 110.0° |
| O27 | C26 | C28 | 114.0° | 110.9° |
| O27 | C26 | H261 | 111.6° | 110.8° |
| C26 | O27 | H271 | 109.5° | 114.0° |
| C26 | C28 | C23 | 101.9° | 104.2° |
| C26 | C28 | O29 | 110.0° | 110.5° |
| C28 | C26 | H261 | 108.8° | 110.9° |
| C26 | C28 | H281 | 110.1° | 110.5° |
| P10 | O09 | C08 | 114.5° | 123.0° |
| O09 | P10 | O12 | 110.6° | 109.5° |
| O09 | P10 | O11 | 103.6° | 109.5° |
| O09 | P10 | O13 | 111.2° | 109.5° |
| O09 | C08 | C07 | 109.7° | 109.4° |
| O09 | C08 | H082 | 109.4° | 109.5° |
| O09 | C08 | H081 | 109.4° | 109.5° |
| O12 | P10 | O11 | 122.5° | 109.4° |
| O12 | P10 | O13 | 107.0° | 109.5° |
| O11 | P10 | O13 | 101.5° | 109.4° |
| P10 | O11 | H1 | 109.5° | 114.0° |
| C08 | C07 | C38 | 108.2° | 110.3° |
| C08 | C07 | H071 | 110.3° | 110.3° |
| C07 | C08 | H082 | 109.4° | 109.5° |
| C07 | C08 | H081 | 109.4° | 109.5° |
| C07 | C38 | O39 | 111.8° | 110.5° |
| C38 | C07 | H071 | 110.0° | 110.3° |
| C07 | C38 | H381 | 109.8° | 110.5° |
| P10 | O13 | P14 | 118.9° | 134.0° |
| O39 | C38 | H381 | 113.8° | 110.5° |
| C38 | O39 | H391 | 109.5° | 114.0° |
| C28 | C23 | C22 | 105.2° | 109.9° |
| C23 | C28 | O29 | 111.9° | 110.5° |
| C23 | C28 | H281 | 109.6° | 110.7° |
| C28 | C23 | H231 | 109.2° | 109.9° |
| C23 | C22 | O21 | 110.0° | 109.5° |
| C23 | C22 | H221 | 109.3° | 109.4° |
| C23 | C22 | H222 | 109.4° | 109.5° |
| C22 | C23 | H231 | 109.9° | 109.9° |
| O29 | C28 | H281 | 112.9° | 110.4° |
| C28 | O29 | H291 | 109.5° | 114.0° |
| C22 | O21 | P18 | 94.6° | 123.0° |
| O21 | C22 | H221 | 109.4° | 109.5° |
| O21 | C22 | H222 | 109.3° | 109.5° |
| O13 | P14 | O17 | 119.0° | 109.5° |
| O13 | P14 | O16 | 106.2° | 109.5° |
| O13 | P14 | O15 | 109.3° | 109.5° |
| P14 | O17 | P18 | 126.3° | 134.0° |
| O17 | P14 | O16 | 100.0° | 109.5° |
| O17 | P14 | O15 | 113.0° | 109.5° |
| O17 | P18 | O21 | 109.5° | 109.4° |
| O17 | P18 | O20 | 111.2° | 109.5° |
| O17 | P18 | O19 | 98.9° | 109.4° |
| O21 | P18 | O20 | 114.3° | 109.5° |
| O21 | P18 | O19 | 105.4° | 109.5° |
| O16 | P14 | O15 | 108.3° | 109.5° |
| O20 | P18 | O19 | 116.3° | 109.5° |
| P14 | O15 | H2 | 109.5° | 114.0° |
| P18 | O19 | H3 | 109.5° | 114.0° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.4° | 109.5° |
| H371 | N37 | H372 | 120.0° | 120.0° |
| H491 | N49 | H492 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O45 | C44 | N46 | C43 | 179.7° | 180.0° |
| O45 | C44 | N46 | C47 | 179.8° | 180.0° |
| O45 | C44 | C43 | N02 | 0.3° | 0.0° |
| O45 | C44 | C43 | C42 | 179.8° | 179.7° |
| O45 | C44 | N46 | H461 | 0.2° | 0.0° |
| C44 | N46 | C47 | H461 | 180.0° | 180.0° |
| C44 | N46 | C47 | N49 | 180.0° | 179.8° |
| C44 | N46 | C47 | N48 | 0.3° | 0.4° |
| N46 | C44 | C43 | N02 | 180.0° | 180.0° |
| N46 | C44 | C43 | C42 | 0.1° | 0.3° |
| C47 | N46 | C44 | C43 | 0.0° | 0.0° |
| N46 | C47 | N49 | N48 | 179.7° | 179.4° |
| N46 | C47 | N48 | C42 | 0.6° | 0.6° |
| N46 | C47 | N49 | H491 | 179.7° | 179.5° |
| N46 | C47 | N49 | H492 | 0.3° | 0.6° |
| N37 | C33 | N34 | C32 | 179.5° | 179.9° |
| N37 | C33 | N34 | C35 | 179.9° | 179.8° |
| N37 | C33 | C32 | C31 | 179.9° | 180.0° |
| N37 | C33 | C32 | H321 | 0.1° | 0.0° |
| C33 | N37 | H371 | H372 | 180.0° | 179.9° |
| C44 | C43 | N02 | C42 | 179.9° | 179.7° |
| C44 | C43 | N02 | C01 | 0.2° | 0.0° |
| C44 | C43 | C42 | N48 | 0.4° | 0.1° |
| C44 | C43 | N02 | C03 | 179.8° | 180.0° |
| C44 | C43 | C42 | N04 | 179.9° | 179.8° |
| C43 | C44 | N46 | H461 | 180.0° | 180.0° |
| N49 | C47 | N48 | C42 | 179.7° | 180.0° |
| N49 | C47 | N46 | H461 | 0.0° | 0.2° |
| C47 | N49 | H491 | H492 | 180.0° | 180.0° |
| C47 | N48 | C42 | C43 | 0.7° | 0.3° |
| C47 | N48 | C42 | N04 | 180.0° | 179.3° |
| N48 | C47 | N46 | H461 | 179.7° | 179.6° |
| N48 | C47 | N49 | H491 | 0.0° | 0.0° |
| N48 | C47 | N49 | H492 | 180.0° | 180.0° |
| N34 | C33 | C32 | C31 | 0.5° | 0.1° |
| C33 | N34 | C35 | O36 | 179.9° | 180.0° |
| C33 | N34 | C35 | N30 | 0.6° | 0.4° |
| N34 | C33 | C32 | H321 | 179.5° | 180.0° |
| N34 | C33 | N37 | H371 | 0.0° | 0.1° |
| N34 | C33 | N37 | H372 | 180.0° | 179.9° |
| C32 | C33 | N34 | C35 | 0.4° | 0.2° |
| C33 | C32 | C31 | H321 | 180.0° | 180.0° |
| C33 | C32 | C31 | N30 | 0.9° | 0.1° |
| C33 | C32 | C31 | H311 | 179.1° | 179.7° |
| C32 | C33 | N37 | H371 | 179.5° | 179.9° |
| C32 | C33 | N37 | H372 | 0.5° | 0.0° |
| C43 | N02 | C01 | C03 | 179.5° | 180.0° |
| N02 | C43 | C42 | N48 | 179.6° | 179.9° |
| N02 | C43 | C42 | N04 | 0.2° | 0.4° |
| C43 | N02 | C03 | N04 | 0.4° | 0.0° |
| C43 | N02 | C01 | H011 | 180.0° | 90.0° |
| C43 | N02 | C01 | H013 | 60.0° | 150.0° |
| C43 | N02 | C01 | H012 | 60.0° | 30.0° |
| C43 | N02 | C03 | H031 | 179.6° | 179.7° |
| C42 | C43 | N02 | C01 | 179.7° | 179.8° |
| C43 | C42 | N48 | N04 | 179.4° | 179.6° |
| C42 | C43 | N02 | C03 | 0.1° | 0.3° |
| C43 | C42 | N04 | C03 | 0.4° | 0.4° |
| C43 | C42 | N04 | C05 | 179.2° | 179.6° |
| C01 | N02 | C03 | N04 | 180.0° | 180.0° |
| N02 | C01 | H011 | H013 | 120.0° | 120.0° |
| N02 | C01 | H011 | H012 | 120.0° | 120.0° |
| N02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C01 | N02 | C03 | H031 | 0.0° | 0.2° |
| N34 | C35 | O36 | N30 | 179.4° | 179.6° |
| N34 | C35 | N30 | C31 | 0.9° | 0.4° |
| N34 | C35 | N30 | C25 | 179.6° | 179.6° |
| N48 | C42 | N04 | C03 | 179.8° | 180.0° |
| N48 | C42 | N04 | C05 | 1.4° | 0.0° |
| N02 | C03 | N04 | C42 | 0.5° | 0.2° |
| N02 | C03 | N04 | H031 | 180.0° | 179.8° |
| N02 | C03 | N04 | C05 | 179.3° | 179.8° |
| C03 | N02 | C01 | H011 | 0.5° | 90.0° |
| C03 | N02 | C01 | H013 | 120.5° | 30.0° |
| C03 | N02 | C01 | H012 | 119.5° | 150.0° |
| C32 | C31 | N30 | C35 | 1.1° | 0.2° |
| C32 | C31 | N30 | H311 | 180.0° | 179.8° |
| C32 | C31 | N30 | C25 | 179.7° | 179.8° |
| C42 | N04 | C03 | C05 | 178.9° | 180.0° |
| C42 | N04 | C05 | O06 | 121.8° | 156.5° |
| C42 | N04 | C05 | C40 | 115.3° | 88.2° |
| C42 | N04 | C03 | H031 | 179.5° | 180.0° |
| C42 | N04 | C05 | H051 | 0.1° | 34.2° |
| O36 | C35 | N30 | C31 | 179.6° | 180.0° |
| O36 | C35 | N30 | C25 | 1.0° | 0.0° |
| C35 | N30 | C31 | C25 | 178.6° | 180.0° |
| C35 | N30 | C25 | O24 | 118.5° | 53.5° |
| C35 | N30 | C25 | C26 | 124.6° | 60.6° |
| C35 | N30 | C25 | H251 | 5.9° | 176.5° |
| C35 | N30 | C31 | H311 | 178.9° | 180.0° |
| C03 | N04 | C05 | O06 | 56.9° | 23.5° |
| C03 | N04 | C05 | C40 | 66.1° | 91.8° |
| C03 | N04 | C05 | H051 | 178.5° | 145.8° |
| C31 | N30 | C25 | O24 | 60.1° | 126.4° |
| C31 | N30 | C25 | C26 | 56.8° | 119.5° |
| C31 | N30 | C25 | H251 | 175.5° | 3.5° |
| N30 | C31 | C32 | H321 | 179.1° | 180.0° |
| N04 | C05 | O06 | C40 | 124.0° | 118.8° |
| N04 | C05 | O06 | H051 | 120.5° | 122.3° |
| N04 | C05 | C40 | H051 | 115.9° | 122.4° |
| N04 | C05 | O06 | C07 | 133.0° | 159.3° |
| N04 | C05 | C40 | O41 | 87.6° | 98.6° |
| N04 | C05 | C40 | C38 | 156.2° | 142.8° |
| C05 | N04 | C03 | H031 | 0.7° | 0.0° |
| N04 | C05 | C40 | H401 | 41.4° | 24.1° |
| N30 | C25 | O24 | C26 | 120.0° | 118.5° |
| N30 | C25 | O24 | H251 | 123.8° | 123.0° |
| N30 | C25 | C26 | H251 | 119.5° | 123.0° |
| N30 | C25 | O24 | C23 | 150.3° | 158.6° |
| N30 | C25 | C26 | O27 | 74.1° | 86.3° |
| N30 | C25 | C26 | C28 | 164.6° | 155.5° |
| N30 | C25 | C26 | H261 | 51.6° | 37.4° |
| C25 | N30 | C31 | H311 | 0.3° | 0.0° |
| O06 | C05 | C40 | H051 | 117.2° | 118.8° |
| O06 | C05 | C40 | O41 | 145.6° | 142.6° |
| O06 | C05 | C40 | C38 | 29.4° | 24.0° |
| C05 | O06 | C07 | C08 | 100.4° | 159.3° |
| C05 | O06 | C07 | C38 | 15.6° | 40.5° |
| C05 | O06 | C07 | H071 | 133.1° | 78.3° |
| O06 | C05 | C40 | H401 | 85.4° | 94.7° |
| C40 | C05 | O06 | C07 | 9.0° | 40.5° |
| C05 | C40 | O41 | C38 | 108.8° | 114.6° |
| C05 | C40 | O41 | H401 | 127.3° | 122.7° |
| C05 | C40 | C38 | H401 | 114.6° | 118.7° |
| C05 | C40 | C38 | C07 | 36.9° | 0.0° |
| C05 | C40 | C38 | O39 | 81.3° | 118.6° |
| C05 | C40 | C38 | H381 | 154.1° | 118.7° |
| C05 | C40 | O41 | H411 | 180.0° | 180.0° |
| O24 | C25 | C26 | H251 | 117.9° | 118.5° |
| O24 | C25 | C26 | O27 | 163.3° | 155.2° |
| O24 | C25 | C26 | C28 | 42.1° | 37.0° |
| C25 | O24 | C23 | C28 | 4.8° | 26.6° |
| C25 | O24 | C23 | C22 | 120.1° | 145.9° |
| O24 | C25 | C26 | H261 | 70.9° | 81.2° |
| C25 | O24 | C23 | H231 | 113.3° | 93.0° |
| C26 | C25 | O24 | C23 | 30.3° | 40.1° |
| C25 | C26 | O27 | C28 | 112.1° | 112.7° |
| C25 | C26 | O27 | H261 | 124.2° | 123.7° |
| C25 | C26 | C28 | H261 | 112.8° | 118.2° |
| C25 | C26 | C28 | C23 | 37.5° | 20.8° |
| C25 | C26 | C28 | O29 | 81.3° | 97.8° |
| C25 | C26 | C28 | H281 | 153.7° | 139.7° |
| C25 | C26 | O27 | H271 | 180.0° | 174.1° |
| O06 | C07 | C38 | C40 | 33.8° | 24.0° |
| O06 | C07 | C08 | O09 | 53.7° | 69.6° |
| O06 | C07 | C08 | C38 | 112.1° | 115.4° |
| O06 | C07 | C08 | H071 | 127.5° | 122.4° |
| O06 | C07 | C38 | H071 | 119.2° | 118.9° |
| O06 | C07 | C38 | O39 | 81.5° | 142.6° |
| C07 | O06 | C05 | H051 | 106.5° | 78.3° |
| O06 | C07 | C08 | H082 | 173.8° | 170.4° |
| O06 | C07 | C08 | H081 | 66.3° | 50.3° |
| O06 | C07 | C38 | H381 | 151.2° | 94.8° |
| O41 | C40 | C38 | H401 | 125.6° | 122.7° |
| O41 | C40 | C38 | C07 | 156.8° | 118.7° |
| O41 | C40 | C38 | O39 | 38.6° | 0.0° |
| O41 | C40 | C05 | H051 | 28.3° | 23.8° |
| O41 | C40 | C38 | H381 | 86.1° | 122.7° |
| C40 | C38 | C07 | C08 | 86.4° | 142.8° |
| C40 | C38 | C07 | O39 | 115.3° | 118.6° |
| C40 | C38 | C07 | H381 | 117.4° | 118.8° |
| C40 | C38 | O39 | H381 | 122.4° | 122.8° |
| C38 | C40 | C05 | H051 | 87.9° | 94.8° |
| C40 | C38 | C07 | H071 | 153.0° | 95.0° |
| C40 | C38 | O39 | H391 | 180.0° | 65.4° |
| C38 | C40 | O41 | H411 | 71.2° | 65.4° |
| O24 | C23 | C28 | C26 | 22.6° | 2.1° |
| O24 | C23 | C28 | C22 | 122.4° | 119.4° |
| O24 | C23 | C28 | H231 | 119.7° | 119.6° |
| O24 | C23 | C22 | H231 | 127.5° | 121.1° |
| O24 | C23 | C28 | O29 | 94.8° | 120.7° |
| O24 | C23 | C22 | O21 | 164.4° | 67.2° |
| O24 | C23 | C22 | H221 | 44.3° | 172.8° |
| O24 | C23 | C22 | H222 | 75.6° | 52.9° |
| O24 | C23 | C28 | H281 | 139.2° | 116.7° |
| C23 | O24 | C25 | H251 | 85.9° | 78.4° |
| O27 | C26 | C28 | H261 | 125.3° | 123.5° |
| O27 | C26 | C28 | C23 | 159.4° | 139.1° |
| O27 | C26 | C28 | O29 | 40.6° | 20.4° |
| O27 | C26 | C28 | H281 | 84.4° | 102.0° |
| O27 | C26 | C25 | H251 | 45.4° | 36.7° |
| C26 | C28 | C23 | O29 | 117.4° | 118.6° |
| C26 | C28 | C23 | H281 | 116.5° | 118.8° |
| C26 | C28 | C23 | C22 | 99.7° | 121.5° |
| C26 | C28 | O29 | H281 | 123.3° | 122.5° |
| C26 | C28 | C23 | H231 | 142.3° | 117.5° |
| C28 | C26 | C25 | H251 | 75.9° | 81.5° |
| C28 | C26 | O27 | H271 | 67.9° | 61.4° |
| C26 | C28 | O29 | H291 | 180.0° | 61.4° |
| O09 | P10 | O12 | O11 | 122.5° | 120.0° |
| O09 | P10 | O12 | O13 | 121.3° | 120.0° |
| O09 | P10 | O11 | O13 | 115.4° | 120.0° |
| P10 | O09 | C08 | C07 | 160.4° | 180.0° |
| O09 | P10 | O13 | P14 | 73.2° | 160.0° |
| P10 | O09 | C08 | H082 | 40.3° | 60.0° |
| P10 | O09 | C08 | H081 | 79.6° | 60.0° |
| O09 | P10 | O11 | H1 | 125.7° | 60.0° |
| C08 | O09 | P10 | O12 | 83.3° | 55.0° |
| C08 | O09 | P10 | O11 | 143.8° | 65.0° |
| O09 | C08 | C07 | H082 | 120.1° | 120.0° |
| O09 | C08 | C07 | H081 | 120.0° | 120.0° |
| O09 | C08 | C07 | C38 | 58.4° | 175.0° |
| C08 | O09 | P10 | O13 | 35.5° | 175.0° |
| O09 | C08 | C07 | H071 | 178.7° | 52.8° |
| O09 | C08 | H082 | H081 | 119.9° | 120.0° |
| O12 | P10 | O11 | O13 | 118.9° | 120.0° |
| O12 | P10 | O13 | P14 | 165.9° | 40.0° |
| O12 | P10 | O11 | H1 | 0.0° | 180.0° |
| O11 | P10 | O13 | P14 | 36.4° | 80.0° |
| C08 | C07 | C38 | H071 | 120.6° | 122.2° |
| C08 | C07 | C38 | O39 | 158.3° | 98.6° |
| C07 | C08 | H082 | H081 | 119.9° | 120.0° |
| C08 | C07 | C38 | H381 | 31.0° | 24.1° |
| C07 | C38 | O39 | H381 | 125.1° | 122.6° |
| C38 | C07 | C08 | H082 | 61.7° | 55.0° |
| C38 | C07 | C08 | H081 | 178.4° | 65.1° |
| C07 | C38 | C40 | H401 | 77.6° | 118.6° |
| C07 | C38 | O39 | H391 | 67.6° | 180.0° |
| P10 | O13 | P14 | O17 | 29.7° | 160.0° |
| P10 | O13 | P14 | O16 | 81.8° | 40.0° |
| P10 | O13 | P14 | O15 | 161.6° | 80.0° |
| O13 | P10 | O11 | H1 | 118.9° | 60.0° |
| O39 | C38 | C07 | H071 | 37.7° | 23.6° |
| O39 | C38 | C40 | H401 | 164.1° | 122.7° |
| C28 | C23 | C22 | H231 | 117.5° | 121.1° |
| C23 | C28 | O29 | H281 | 124.2° | 122.7° |
| C28 | C23 | C22 | O21 | 49.4° | 175.0° |
| C28 | C23 | C22 | H221 | 70.7° | 55.0° |
| C28 | C23 | C22 | H222 | 169.5° | 64.9° |
| C23 | C28 | C26 | H261 | 75.4° | 97.4° |
| C23 | C28 | O29 | H291 | 67.6° | 176.2° |
| C22 | C23 | C28 | O29 | 142.8° | 119.9° |
| C23 | C22 | O21 | H221 | 120.1° | 120.0° |
| C23 | C22 | O21 | H222 | 120.1° | 120.0° |
| C23 | C22 | O21 | P18 | 126.6° | 180.0° |
| C23 | C22 | H221 | H222 | 119.8° | 119.9° |
| C22 | C23 | C28 | H281 | 16.8° | 2.7° |
| O29 | C28 | C26 | H261 | 165.8° | 144.0° |
| O29 | C28 | C23 | H231 | 24.9° | 1.1° |
| C22 | O21 | P18 | O17 | 69.1° | 175.0° |
| C22 | O21 | P18 | O20 | 56.5° | 55.0° |
| C22 | O21 | P18 | O19 | 174.6° | 65.0° |
| O21 | C22 | H221 | H222 | 119.8° | 120.0° |
| O21 | C22 | C23 | H231 | 68.1° | 53.9° |
| O13 | P14 | O17 | O16 | 114.9° | 120.0° |
| O13 | P14 | O17 | O15 | 130.2° | 120.0° |
| O13 | P14 | O17 | P18 | 173.8° | 165.0° |
| O13 | P14 | O16 | O15 | 117.3° | 120.0° |
| O13 | P14 | O15 | H2 | 115.2° | 60.0° |
| P14 | O17 | P18 | O21 | 99.9° | 165.0° |
| O17 | P14 | O16 | O15 | 118.4° | 120.0° |
| P14 | O17 | P18 | O20 | 132.8° | 45.0° |
| P14 | O17 | P18 | O19 | 10.0° | 75.0° |
| O17 | P14 | O15 | H2 | 109.8° | 60.0° |
| O17 | P18 | O21 | O20 | 125.5° | 120.0° |
| O17 | P18 | O21 | O19 | 105.6° | 120.0° |
| P18 | O17 | P14 | O16 | 71.3° | 45.0° |
| O17 | P18 | O20 | O19 | 112.2° | 120.0° |
| P18 | O17 | P14 | O15 | 43.6° | 75.0° |
| O17 | P18 | O19 | H3 | 119.1° | 60.0° |
| O21 | P18 | O20 | O19 | 123.2° | 120.1° |
| P18 | O21 | C22 | H221 | 113.4° | 60.0° |
| P18 | O21 | C22 | H222 | 6.5° | 60.0° |
| O21 | P18 | O19 | H3 | 127.7° | 60.0° |
| O16 | P14 | O15 | H2 | 0.0° | 180.0° |
| O20 | P18 | O19 | H3 | 0.0° | 180.0° |
| H221 | C22 | C23 | H231 | 171.8° | 66.0° |
| H222 | C22 | C23 | H231 | 52.0° | 174.0° |
| H261 | C26 | C28 | H281 | 40.9° | 21.5° |
| H261 | C26 | C25 | H251 | 171.1° | 160.3° |
| H261 | C26 | O27 | H271 | 55.9° | 62.2° |
| H281 | C28 | C23 | H231 | 101.1° | 123.7° |
| H281 | C28 | O29 | H291 | 56.7° | 61.1° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
| H051 | C05 | C40 | H401 | 157.3° | 146.5° |
| H071 | C07 | C08 | H082 | 58.7° | 67.2° |
| H071 | C07 | C08 | H081 | 61.2° | 172.7° |
| H071 | C07 | C38 | H381 | 89.6° | 146.3° |
| H311 | C31 | C32 | H321 | 0.9° | 0.2° |
| H381 | C38 | C40 | H401 | 39.5° | 0.0° |
| H381 | C38 | O39 | H391 | 57.6° | 57.3° |
| H401 | C40 | O41 | H411 | 52.7° | 57.3° |
