41P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | O02 | sing | 1.43Å | 1.40Å | |
| O02 | C03 | sing | 1.36Å | 1.44Å | |
| C03 | C06 | doub | 1.39Å | 1.36Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.47Å | Aromatic |
| O29 | C30 | sing | 1.43Å | 1.42Å | |
| O29 | C28 | sing | 1.36Å | 1.36Å | |
| C06 | C07 | sing | 1.38Å | 1.46Å | Aromatic |
| C04 | C05 | doub | 1.38Å | 1.44Å | Aromatic |
| C28 | C31 | doub | 1.39Å | 1.37Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C07 | C08 | doub | 1.38Å | 1.45Å | Aromatic |
| C05 | C08 | sing | 1.38Å | 1.37Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.38Å | Aromatic |
| C08 | S09 | sing | 1.76Å | 1.82Å | |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| O42 | S09 | doub | 1.42Å | 1.44Å | |
| O41 | S09 | doub | 1.42Å | 1.48Å | |
| S09 | N10 | sing | 1.66Å | 1.64Å | |
| C26 | C25 | sing | 1.38Å | 1.36Å | Aromatic |
| C25 | S24 | sing | 1.76Å | 1.81Å | |
| C16 | C17 | doub | 1.39Å | 1.44Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| O34 | S24 | doub | 1.42Å | 1.45Å | |
| N10 | C15 | sing | 1.40Å | 1.47Å | |
| N10 | C11 | sing | 1.47Å | 1.45Å | |
| S24 | O33 | doub | 1.42Å | 1.42Å | |
| S24 | N19 | sing | 1.66Å | 1.63Å | |
| C17 | C18 | sing | 1.38Å | 1.36Å | Aromatic |
| C15 | C36 | doub | 1.41Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.55Å | |
| C18 | N19 | sing | 1.40Å | 1.43Å | |
| C18 | C35 | doub | 1.41Å | 1.44Å | Aromatic |
| C36 | C35 | sing | 1.42Å | 1.41Å | Aromatic |
| C36 | C37 | sing | 1.40Å | 1.40Å | Aromatic |
| N19 | C20 | sing | 1.46Å | 1.46Å | |
| C35 | C40 | sing | 1.40Å | 1.44Å | Aromatic |
| O14 | C12 | doub | 1.21Å | 1.15Å | |
| C37 | C38 | doub | 1.36Å | 1.41Å | Aromatic |
| C12 | N13 | sing | 1.35Å | 1.44Å | |
| C40 | C39 | doub | 1.36Å | 1.38Å | Aromatic |
| C38 | C39 | sing | 1.39Å | 1.44Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.45Å | |
| C21 | O23 | doub | 1.21Å | 1.17Å | |
| C21 | N22 | sing | 1.35Å | 1.47Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| N13 | H131 | sing | 0.97Å | 1.00Å | |
| N13 | H132 | sing | 0.97Å | 1.00Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| N22 | H221 | sing | 0.97Å | 1.00Å | |
| N22 | H222 | sing | 0.97Å | 1.00Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | O02 | C03 | 120.1° | 117.0° |
| O02 | C01 | H013 | 109.5° | 109.4° |
| O02 | C01 | H011 | 109.5° | 109.5° |
| O02 | C01 | H012 | 109.5° | 109.5° |
| O02 | C03 | C06 | 120.5° | 120.1° |
| O02 | C03 | C04 | 119.7° | 120.0° |
| C06 | C03 | C04 | 119.9° | 119.9° |
| C03 | C06 | C07 | 120.0° | 119.9° |
| C03 | C06 | H061 | 120.0° | 120.0° |
| C03 | C04 | C05 | 120.0° | 119.9° |
| C03 | C04 | H041 | 120.0° | 120.0° |
| C30 | O29 | C28 | 119.1° | 117.0° |
| O29 | C30 | H301 | 109.5° | 109.5° |
| O29 | C30 | H302 | 109.5° | 109.4° |
| O29 | C30 | H303 | 109.5° | 109.5° |
| O29 | C28 | C31 | 120.4° | 120.1° |
| O29 | C28 | C27 | 119.5° | 120.1° |
| C06 | C07 | C08 | 119.9° | 120.1° |
| C07 | C06 | H061 | 120.0° | 120.1° |
| C06 | C07 | H071 | 120.0° | 120.0° |
| C04 | C05 | C08 | 120.1° | 120.1° |
| C05 | C04 | H041 | 120.0° | 120.1° |
| C04 | C05 | H051 | 120.0° | 119.9° |
| C31 | C28 | C27 | 120.2° | 119.9° |
| C28 | C31 | C32 | 119.9° | 120.0° |
| C28 | C31 | H311 | 120.0° | 120.1° |
| C28 | C27 | C26 | 120.2° | 119.9° |
| C28 | C27 | H271 | 119.9° | 120.0° |
| C07 | C08 | C05 | 120.2° | 120.1° |
| C07 | C08 | S09 | 120.4° | 119.9° |
| C08 | C07 | H071 | 120.1° | 120.0° |
| C05 | C08 | S09 | 119.4° | 120.0° |
| C08 | C05 | H051 | 120.0° | 120.0° |
| C31 | C32 | C25 | 119.7° | 120.1° |
| C32 | C31 | H311 | 120.1° | 120.0° |
| C31 | C32 | H321 | 120.1° | 120.0° |
| C08 | S09 | O42 | 111.1° | 106.4° |
| C08 | S09 | O41 | 111.1° | 106.4° |
| C08 | S09 | N10 | 109.2° | 107.2° |
| C27 | C26 | C25 | 119.9° | 120.1° |
| C27 | C26 | H261 | 120.0° | 119.9° |
| C26 | C27 | H271 | 119.9° | 120.1° |
| C32 | C25 | C26 | 120.1° | 120.1° |
| C32 | C25 | S24 | 120.1° | 120.0° |
| C25 | C32 | H321 | 120.1° | 119.9° |
| O42 | S09 | O41 | 101.2° | 123.2° |
| O42 | S09 | N10 | 112.3° | 106.4° |
| O41 | S09 | N10 | 111.8° | 106.4° |
| S09 | N10 | C15 | 118.8° | 120.0° |
| S09 | N10 | C11 | 122.9° | 120.0° |
| C26 | C25 | S24 | 119.8° | 119.9° |
| C25 | C26 | H261 | 120.1° | 120.0° |
| C25 | S24 | O34 | 111.2° | 106.4° |
| C25 | S24 | O33 | 113.0° | 106.4° |
| C25 | S24 | N19 | 105.4° | 107.2° |
| C17 | C16 | C15 | 120.0° | 120.9° |
| C16 | C17 | C18 | 119.7° | 120.8° |
| C17 | C16 | H161 | 120.0° | 119.6° |
| C16 | C17 | H171 | 120.1° | 119.6° |
| C16 | C15 | N10 | 117.5° | 120.2° |
| C16 | C15 | C36 | 120.5° | 119.7° |
| C15 | C16 | H161 | 120.0° | 119.6° |
| O34 | S24 | O33 | 102.0° | 123.2° |
| O34 | S24 | N19 | 113.4° | 106.4° |
| C15 | N10 | C11 | 118.2° | 120.0° |
| N10 | C15 | C36 | 122.1° | 120.2° |
| N10 | C11 | C12 | 119.4° | 109.5° |
| N10 | C11 | H111 | 107.0° | 109.4° |
| N10 | C11 | H112 | 106.9° | 109.5° |
| O33 | S24 | N19 | 112.2° | 106.4° |
| S24 | N19 | C18 | 115.3° | 120.0° |
| S24 | N19 | C20 | 121.8° | 120.0° |
| C17 | C18 | N19 | 117.8° | 120.1° |
| C17 | C18 | C35 | 120.5° | 119.7° |
| C18 | C17 | H171 | 120.2° | 119.6° |
| C15 | C36 | C35 | 119.6° | 119.5° |
| C15 | C36 | C37 | 120.5° | 121.2° |
| C11 | C12 | O14 | 120.3° | 120.0° |
| C11 | C12 | N13 | 119.2° | 120.0° |
| C12 | C11 | H111 | 106.9° | 109.4° |
| C12 | C11 | H112 | 107.0° | 109.5° |
| N19 | C18 | C35 | 121.6° | 120.2° |
| C18 | N19 | C20 | 122.8° | 120.0° |
| C18 | C35 | C36 | 119.7° | 119.5° |
| C18 | C35 | C40 | 120.4° | 121.1° |
| C35 | C36 | C37 | 119.9° | 119.4° |
| C36 | C35 | C40 | 119.9° | 119.4° |
| C36 | C37 | C38 | 120.2° | 119.7° |
| C36 | C37 | H371 | 119.9° | 120.1° |
| N19 | C20 | C21 | 120.2° | 109.5° |
| N19 | C20 | H201 | 106.7° | 109.5° |
| N19 | C20 | H202 | 106.7° | 109.5° |
| C35 | C40 | C39 | 120.0° | 119.7° |
| C35 | C40 | H401 | 120.0° | 120.2° |
| O14 | C12 | N13 | 120.5° | 119.9° |
| C37 | C38 | C39 | 120.0° | 121.0° |
| C38 | C37 | H371 | 119.9° | 120.1° |
| C37 | C38 | H381 | 120.0° | 119.5° |
| C12 | N13 | H131 | 120.0° | 120.0° |
| C12 | N13 | H132 | 120.0° | 120.0° |
| C40 | C39 | C38 | 119.9° | 120.9° |
| C40 | C39 | H391 | 120.0° | 119.5° |
| C39 | C40 | H401 | 120.0° | 120.1° |
| C39 | C38 | H381 | 120.0° | 119.5° |
| C38 | C39 | H391 | 120.0° | 119.6° |
| C20 | C21 | O23 | 120.3° | 120.0° |
| C20 | C21 | N22 | 119.3° | 120.0° |
| C21 | C20 | H201 | 106.7° | 109.5° |
| C21 | C20 | H202 | 106.8° | 109.5° |
| O23 | C21 | N22 | 120.4° | 120.0° |
| C21 | N22 | H221 | 120.0° | 120.0° |
| C21 | N22 | H222 | 120.0° | 119.9° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.4° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H131 | N13 | H132 | 119.9° | 120.1° |
| H201 | C20 | H202 | 109.4° | 109.4° |
| H221 | N22 | H222 | 120.0° | 120.0° |
| H301 | C30 | H302 | 109.5° | 109.4° |
| H301 | C30 | H303 | 109.4° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | O02 | C03 | C06 | 94.6° | 180.0° |
| C01 | O02 | C03 | C04 | 85.6° | 0.4° |
| O02 | C01 | H013 | H011 | 120.0° | 120.0° |
| O02 | C01 | H013 | H012 | 120.0° | 120.0° |
| O02 | C01 | H011 | H012 | 120.0° | 120.0° |
| O02 | C03 | C06 | C04 | 179.8° | 179.6° |
| O02 | C03 | C06 | C07 | 179.8° | 180.0° |
| O02 | C03 | C04 | C05 | 180.0° | 179.9° |
| C03 | O02 | C01 | H013 | 180.0° | 60.0° |
| C03 | O02 | C01 | H011 | 60.0° | 180.0° |
| C03 | O02 | C01 | H012 | 60.0° | 60.0° |
| O02 | C03 | C04 | H041 | 0.0° | 0.1° |
| O02 | C03 | C06 | H061 | 0.2° | 0.0° |
| C03 | C06 | C07 | H061 | 180.0° | 180.0° |
| C06 | C03 | C04 | C05 | 0.2° | 0.3° |
| C03 | C06 | C07 | C08 | 0.2° | 0.1° |
| C06 | C03 | C04 | H041 | 179.8° | 179.7° |
| C03 | C06 | C07 | H071 | 179.8° | 179.9° |
| C04 | C03 | C06 | C07 | 0.1° | 0.4° |
| C03 | C04 | C05 | H041 | 180.0° | 180.0° |
| C03 | C04 | C05 | C08 | 0.1° | 0.0° |
| C03 | C04 | C05 | H051 | 179.9° | 180.0° |
| C04 | C03 | C06 | H061 | 179.9° | 179.7° |
| C30 | O29 | C28 | C31 | 114.3° | 180.0° |
| C30 | O29 | C28 | C27 | 65.7° | 0.2° |
| O29 | C30 | H301 | H302 | 120.0° | 119.9° |
| O29 | C30 | H301 | H303 | 120.0° | 120.1° |
| O29 | C30 | H302 | H303 | 120.0° | 120.0° |
| O29 | C28 | C31 | C27 | 180.0° | 179.7° |
| O29 | C28 | C31 | C32 | 180.0° | 180.0° |
| O29 | C28 | C27 | C26 | 179.9° | 179.7° |
| O29 | C28 | C27 | H271 | 0.0° | 0.3° |
| C28 | O29 | C30 | H301 | 180.0° | 60.0° |
| C28 | O29 | C30 | H302 | 60.0° | 59.9° |
| C28 | O29 | C30 | H303 | 60.0° | 179.9° |
| O29 | C28 | C31 | H311 | 0.0° | 0.3° |
| C06 | C07 | C08 | H071 | 180.0° | 180.0° |
| C06 | C07 | C08 | C05 | 0.4° | 0.3° |
| C06 | C07 | C08 | S09 | 179.8° | 180.0° |
| C04 | C05 | C08 | C07 | 0.2° | 0.3° |
| C04 | C05 | C08 | H051 | 180.0° | 180.0° |
| C04 | C05 | C08 | S09 | 179.7° | 180.0° |
| C28 | C31 | C32 | H311 | 180.0° | 179.7° |
| C31 | C28 | C27 | C26 | 0.0° | 0.0° |
| C28 | C31 | C32 | C25 | 0.5° | 0.5° |
| C31 | C28 | C27 | H271 | 180.0° | 180.0° |
| C28 | C31 | C32 | H321 | 179.5° | 179.9° |
| C27 | C28 | C31 | C32 | 0.0° | 0.3° |
| C28 | C27 | C26 | H271 | 180.0° | 180.0° |
| C28 | C27 | C26 | C25 | 0.4° | 0.0° |
| C28 | C27 | C26 | H261 | 179.6° | 179.9° |
| C27 | C28 | C31 | H311 | 180.0° | 180.0° |
| C07 | C08 | C05 | S09 | 179.4° | 179.7° |
| C07 | C08 | S09 | O42 | 38.5° | 156.8° |
| C07 | C08 | S09 | O41 | 150.4° | 23.8° |
| C07 | C08 | S09 | N10 | 85.9° | 89.8° |
| C07 | C08 | C05 | H051 | 179.8° | 179.7° |
| C08 | C07 | C06 | H061 | 179.8° | 179.9° |
| C05 | C08 | S09 | O42 | 142.1° | 23.5° |
| C05 | C08 | S09 | O41 | 30.2° | 156.5° |
| C05 | C08 | S09 | N10 | 93.5° | 90.0° |
| C08 | C05 | C04 | H041 | 179.9° | 179.9° |
| C05 | C08 | C07 | H071 | 179.6° | 179.7° |
| C31 | C32 | C25 | H321 | 180.0° | 179.5° |
| C31 | C32 | C25 | C26 | 1.0° | 0.5° |
| C31 | C32 | C25 | S24 | 179.5° | 179.7° |
| C08 | S09 | O42 | O41 | 118.0° | 123.0° |
| C08 | S09 | O42 | N10 | 122.6° | 114.1° |
| C08 | S09 | O41 | N10 | 122.2° | 114.1° |
| C08 | S09 | N10 | C15 | 74.0° | 90.0° |
| C08 | S09 | N10 | C11 | 103.4° | 90.0° |
| S09 | C08 | C05 | H051 | 0.3° | 0.0° |
| S09 | C08 | C07 | H071 | 0.2° | 0.0° |
| C27 | C26 | C25 | C32 | 0.9° | 0.2° |
| C27 | C26 | C25 | H261 | 180.0° | 179.9° |
| C27 | C26 | C25 | S24 | 179.4° | 180.0° |
| C32 | C25 | C26 | S24 | 178.5° | 179.8° |
| C32 | C25 | S24 | O34 | 37.1° | 23.3° |
| C32 | C25 | S24 | O33 | 151.1° | 156.2° |
| C32 | C25 | S24 | N19 | 86.1° | 90.3° |
| C32 | C25 | C26 | H261 | 179.1° | 179.7° |
| C25 | C32 | C31 | H311 | 179.5° | 179.7° |
| O42 | S09 | O41 | N10 | 119.7° | 122.9° |
| O42 | S09 | N10 | C15 | 49.7° | 156.5° |
| O42 | S09 | N10 | C11 | 132.9° | 23.5° |
| O41 | S09 | N10 | C15 | 162.7° | 23.5° |
| O41 | S09 | N10 | C11 | 19.9° | 156.5° |
| S09 | N10 | C15 | C16 | 92.9° | 94.7° |
| S09 | N10 | C15 | C11 | 177.5° | 180.0° |
| S09 | N10 | C15 | C36 | 87.1° | 85.1° |
| S09 | N10 | C11 | C12 | 66.7° | 95.0° |
| S09 | N10 | C11 | H111 | 54.7° | 25.0° |
| S09 | N10 | C11 | H112 | 171.9° | 145.0° |
| C26 | C25 | S24 | O34 | 144.4° | 156.5° |
| C26 | C25 | S24 | O33 | 30.4° | 23.6° |
| C26 | C25 | S24 | N19 | 92.4° | 90.0° |
| C25 | C26 | C27 | H271 | 179.5° | 180.0° |
| C26 | C25 | C32 | H321 | 179.0° | 180.0° |
| C25 | S24 | O34 | O33 | 120.7° | 122.9° |
| C25 | S24 | O34 | N19 | 118.5° | 114.1° |
| C25 | S24 | O33 | N19 | 118.9° | 114.1° |
| C25 | S24 | N19 | C18 | 75.7° | 90.0° |
| C25 | S24 | N19 | C20 | 100.6° | 90.0° |
| S24 | C25 | C26 | H261 | 0.6° | 0.1° |
| S24 | C25 | C32 | H321 | 0.5° | 0.2° |
| C17 | C16 | C15 | H161 | 180.0° | 180.0° |
| C17 | C16 | C15 | N10 | 180.0° | 180.0° |
| C16 | C17 | C18 | H171 | 180.0° | 180.0° |
| C17 | C16 | C15 | C36 | 0.1° | 0.2° |
| C16 | C17 | C18 | N19 | 178.7° | 180.0° |
| C16 | C17 | C18 | C35 | 1.3° | 0.0° |
| C16 | C15 | N10 | C36 | 180.0° | 179.8° |
| C16 | C15 | N10 | C11 | 84.6° | 85.3° |
| C15 | C16 | C17 | C18 | 0.6° | 0.0° |
| C16 | C15 | C36 | C35 | 0.1° | 0.5° |
| C16 | C15 | C36 | C37 | 179.9° | 179.8° |
| C15 | C16 | C17 | H171 | 179.3° | 180.0° |
| O34 | S24 | O33 | N19 | 121.6° | 123.0° |
| O34 | S24 | N19 | C18 | 46.1° | 23.5° |
| O34 | S24 | N19 | C20 | 137.6° | 156.5° |
| C15 | N10 | C11 | C12 | 115.9° | 85.0° |
| N10 | C15 | C36 | C35 | 179.9° | 179.7° |
| N10 | C15 | C36 | C37 | 0.0° | 0.0° |
| C15 | N10 | C11 | H111 | 122.7° | 155.0° |
| C15 | N10 | C11 | H112 | 5.5° | 35.0° |
| N10 | C15 | C16 | H161 | 0.0° | 0.0° |
| C11 | N10 | C15 | C36 | 95.3° | 95.0° |
| N10 | C11 | C12 | H111 | 121.4° | 119.9° |
| N10 | C11 | C12 | H112 | 121.4° | 120.0° |
| N10 | C11 | C12 | O14 | 0.2° | 0.0° |
| N10 | C11 | C12 | N13 | 179.4° | 180.0° |
| N10 | C11 | H111 | H112 | 115.5° | 120.0° |
| O33 | S24 | N19 | C18 | 161.0° | 156.5° |
| O33 | S24 | N19 | C20 | 22.8° | 23.5° |
| S24 | N19 | C18 | C17 | 95.1° | 93.2° |
| S24 | N19 | C18 | C20 | 176.2° | 180.0° |
| S24 | N19 | C18 | C35 | 82.2° | 86.8° |
| S24 | N19 | C20 | C21 | 140.0° | 94.2° |
| S24 | N19 | C20 | H201 | 98.5° | 25.8° |
| S24 | N19 | C20 | H202 | 18.5° | 145.8° |
| C17 | C18 | N19 | C35 | 177.3° | 180.0° |
| C17 | C18 | C35 | C36 | 1.4° | 0.2° |
| C17 | C18 | N19 | C20 | 81.1° | 86.8° |
| C17 | C18 | C35 | C40 | 179.3° | 180.0° |
| C18 | C17 | C16 | H161 | 179.4° | 179.9° |
| C15 | C36 | C35 | C18 | 0.8° | 0.5° |
| C15 | C36 | C35 | C37 | 179.9° | 179.8° |
| C15 | C36 | C35 | C40 | 179.9° | 179.8° |
| C15 | C36 | C37 | C38 | 179.8° | 180.0° |
| C36 | C15 | C16 | H161 | 180.0° | 179.8° |
| C15 | C36 | C37 | H371 | 0.2° | 0.0° |
| C11 | C12 | O14 | N13 | 179.6° | 180.0° |
| C12 | C11 | H111 | H112 | 115.5° | 120.0° |
| C11 | C12 | N13 | H131 | 179.6° | 0.1° |
| C11 | C12 | N13 | H132 | 0.4° | 180.0° |
| N19 | C18 | C35 | C36 | 178.6° | 179.7° |
| N19 | C18 | C35 | C40 | 2.0° | 0.0° |
| C18 | N19 | C20 | C21 | 44.0° | 85.7° |
| N19 | C18 | C17 | H171 | 1.3° | 0.1° |
| C18 | N19 | C20 | H201 | 77.5° | 154.2° |
| C18 | N19 | C20 | H202 | 165.5° | 34.2° |
| C18 | C35 | C36 | C40 | 179.4° | 179.8° |
| C18 | C35 | C36 | C37 | 179.3° | 179.7° |
| C35 | C18 | N19 | C20 | 101.6° | 93.2° |
| C18 | C35 | C40 | C39 | 179.4° | 179.2° |
| C35 | C18 | C17 | H171 | 178.7° | 180.0° |
| C18 | C35 | C40 | H401 | 0.6° | 0.0° |
| C35 | C36 | C37 | C38 | 0.1° | 0.3° |
| C36 | C35 | C40 | C39 | 0.0° | 0.6° |
| C35 | C36 | C37 | H371 | 179.9° | 179.8° |
| C36 | C35 | C40 | H401 | 180.0° | 179.8° |
| C37 | C36 | C35 | C40 | 0.0° | 0.0° |
| C36 | C37 | C38 | H371 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 0.1° | 0.0° |
| C36 | C37 | C38 | H381 | 179.9° | 180.0° |
| N19 | C20 | C21 | H201 | 121.5° | 120.1° |
| N19 | C20 | C21 | H202 | 121.5° | 120.0° |
| N19 | C20 | C21 | O23 | 68.9° | 5.3° |
| N19 | C20 | C21 | N22 | 111.6° | 174.8° |
| N19 | C20 | H201 | H202 | 115.1° | 120.0° |
| C35 | C40 | C39 | H401 | 180.0° | 179.2° |
| C35 | C40 | C39 | C38 | 0.0° | 0.9° |
| C35 | C40 | C39 | H391 | 180.0° | 179.7° |
| O14 | C12 | C11 | H111 | 121.2° | 120.0° |
| O14 | C12 | C11 | H112 | 121.6° | 120.0° |
| O14 | C12 | N13 | H131 | 0.0° | 180.0° |
| O14 | C12 | N13 | H132 | 180.0° | 0.0° |
| C37 | C38 | C39 | C40 | 0.1° | 0.6° |
| C37 | C38 | C39 | H381 | 180.0° | 179.9° |
| C37 | C38 | C39 | H391 | 179.9° | 180.0° |
| N13 | C12 | C11 | H111 | 59.2° | 60.0° |
| N13 | C12 | C11 | H112 | 58.0° | 60.0° |
| C12 | N13 | H131 | H132 | 180.0° | 179.9° |
| C40 | C39 | C38 | H391 | 180.0° | 179.3° |
| C40 | C39 | C38 | H381 | 179.9° | 179.4° |
| C39 | C38 | C37 | H371 | 179.8° | 179.9° |
| C38 | C39 | C40 | H401 | 180.0° | 179.9° |
| C20 | C21 | O23 | N22 | 179.5° | 180.0° |
| C21 | C20 | H201 | H202 | 115.2° | 120.0° |
| C20 | C21 | N22 | H221 | 179.5° | 0.0° |
| C20 | C21 | N22 | H222 | 0.5° | 180.0° |
| O23 | C21 | C20 | H201 | 52.6° | 114.8° |
| O23 | C21 | C20 | H202 | 169.5° | 125.3° |
| O23 | C21 | N22 | H221 | 0.0° | 180.0° |
| O23 | C21 | N22 | H222 | 180.0° | 0.0° |
| N22 | C21 | C20 | H201 | 126.9° | 65.2° |
| N22 | C21 | C20 | H202 | 10.0° | 54.8° |
| C21 | N22 | H221 | H222 | 180.0° | 180.0° |
| H013 | C01 | H011 | H012 | 120.0° | 120.0° |
| H041 | C04 | C05 | H051 | 0.1° | 0.0° |
| H061 | C06 | C07 | H071 | 0.2° | 0.0° |
| H161 | C16 | C17 | H171 | 0.7° | 0.0° |
| H261 | C26 | C27 | H271 | 0.5° | 0.1° |
| H301 | C30 | H302 | H303 | 120.0° | 120.1° |
| H311 | C31 | C32 | H321 | 0.5° | 0.2° |
| H371 | C37 | C38 | H381 | 0.2° | 0.0° |
| H381 | C38 | C39 | H391 | 0.1° | 0.1° |
| H391 | C39 | C40 | H401 | 0.0° | 0.6° |
