A1BYN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N02 | C01 | sing | 1.47Å | 1.45Å | |
| C03 | N02 | sing | 1.47Å | 1.45Å | |
| C04 | N02 | sing | 1.47Å | 1.45Å | |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| N06 | C05 | sing | 1.47Å | 1.45Å | |
| C07 | N06 | sing | 1.47Å | 1.45Å | |
| C08 | N06 | sing | 1.40Å | 1.45Å | |
| C09 | C08 | doub | 1.39Å | 1.38Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.38Å | Aromatic |
| N14 | C13 | sing | 1.40Å | 1.45Å | |
| C15 | N14 | sing | 1.35Å | 1.45Å | |
| O16 | C15 | doub | 1.21Å | 1.18Å | |
| C17 | C15 | sing | 1.51Å | 1.42Å | |
| C18 | C17 | sing | 1.53Å | 1.48Å | |
| C12 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| N19 | C11 | sing | 1.40Å | 1.46Å | |
| C20 | N19 | sing | 1.38Å | 1.45Å | |
| N21 | C20 | doub | 1.33Å | 1.31Å | Aromatic |
| C22 | N21 | sing | 1.32Å | 1.32Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.40Å | 1.38Å | Aromatic |
| N25 | C24 | doub | 1.33Å | 1.31Å | Aromatic |
| C26 | C24 | sing | 1.48Å | 1.53Å | |
| C27 | C26 | doub | 1.36Å | 1.38Å | Aromatic |
| N28 | C27 | sing | 1.36Å | 1.33Å | Aromatic |
| C30 | C29 | doub | 1.39Å | 1.42Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | doub | 1.39Å | 1.39Å | Aromatic |
| C33 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | doub | 1.39Å | 1.41Å | Aromatic |
| C29 | N28 | sing | 1.38Å | 1.36Å | Aromatic |
| C35 | N28 | sing | 1.46Å | 1.45Å | |
| C36 | C35 | sing | 1.53Å | 1.52Å | |
| F37 | C36 | sing | 1.40Å | 1.36Å | |
| F38 | C36 | sing | 1.40Å | 1.36Å | |
| F39 | C36 | sing | 1.40Å | 1.36Å | |
| C11 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| O40 | C10 | sing | 1.36Å | 1.39Å | |
| C41 | O40 | sing | 1.43Å | 1.40Å | |
| C08 | C13 | sing | 1.39Å | 1.38Å | Aromatic |
| C20 | N25 | sing | 1.32Å | 1.31Å | Aromatic |
| C26 | C34 | sing | 1.47Å | 1.41Å | Aromatic |
| C29 | C34 | sing | 1.41Å | 1.37Å | Aromatic |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H073 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C41 | H413 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C03 | 109.6° | 111.0° |
| C01 | N02 | C04 | 110.1° | 111.0° |
| N02 | C01 | H013 | 109.5° | 109.5° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| C03 | N02 | C04 | 108.3° | 111.0° |
| N02 | C03 | H033 | 109.5° | 109.4° |
| N02 | C03 | H032 | 109.5° | 109.5° |
| N02 | C03 | H031 | 109.5° | 109.5° |
| N02 | C04 | C05 | 110.4° | 109.5° |
| N02 | C04 | H042 | 109.2° | 109.5° |
| N02 | C04 | H041 | 109.2° | 109.5° |
| C04 | C05 | N06 | 108.4° | 109.5° |
| C05 | C04 | H042 | 109.2° | 109.5° |
| C05 | C04 | H041 | 109.2° | 109.5° |
| C04 | C05 | H051 | 109.8° | 109.5° |
| C04 | C05 | H052 | 109.7° | 109.5° |
| C05 | N06 | C07 | 119.8° | 111.0° |
| C05 | N06 | C08 | 120.3° | 111.0° |
| N06 | C05 | H051 | 109.7° | 109.4° |
| N06 | C05 | H052 | 109.8° | 109.4° |
| C07 | N06 | C08 | 119.9° | 111.0° |
| N06 | C07 | H071 | 109.5° | 109.5° |
| N06 | C07 | H073 | 109.5° | 109.5° |
| N06 | C07 | H072 | 109.5° | 109.5° |
| N06 | C08 | C09 | 119.2° | 120.0° |
| N06 | C08 | C13 | 120.3° | 120.0° |
| C08 | C09 | C10 | 119.9° | 120.0° |
| C09 | C08 | C13 | 120.5° | 120.0° |
| C08 | C09 | H091 | 120.0° | 120.0° |
| C09 | C10 | C11 | 120.3° | 120.0° |
| C09 | C10 | O40 | 120.2° | 120.0° |
| C10 | C09 | H091 | 120.0° | 120.0° |
| C12 | C13 | N14 | 121.5° | 120.0° |
| C13 | C12 | C11 | 121.2° | 120.0° |
| C12 | C13 | C08 | 118.9° | 120.0° |
| C13 | C12 | H121 | 119.4° | 120.0° |
| C13 | N14 | C15 | 126.0° | 120.0° |
| N14 | C13 | C08 | 119.6° | 120.0° |
| C13 | N14 | H141 | 117.0° | 120.0° |
| N14 | C15 | O16 | 123.0° | 120.0° |
| N14 | C15 | C17 | 146.4° | 120.0° |
| C15 | N14 | H141 | 117.0° | 120.0° |
| O16 | C15 | C17 | 90.2° | 120.0° |
| C15 | C17 | C18 | 134.3° | 109.5° |
| C15 | C17 | H171 | 102.9° | 109.4° |
| C15 | C17 | H2 | 103.0° | 109.5° |
| C18 | C17 | H171 | 103.0° | 109.5° |
| C17 | C18 | H182 | 109.5° | 109.5° |
| C17 | C18 | H181 | 109.5° | 109.5° |
| C18 | C17 | H2 | 102.9° | 109.5° |
| C17 | C18 | H3 | 109.4° | 109.5° |
| C12 | C11 | N19 | 122.8° | 120.0° |
| C12 | C11 | C10 | 119.2° | 120.0° |
| C11 | C12 | H121 | 119.4° | 120.0° |
| C11 | N19 | C20 | 124.9° | 120.0° |
| N19 | C11 | C10 | 118.0° | 120.0° |
| C11 | N19 | H191 | 117.5° | 120.0° |
| N19 | C20 | N21 | 119.2° | 119.2° |
| N19 | C20 | N25 | 120.1° | 119.2° |
| C20 | N19 | H191 | 117.6° | 120.0° |
| C20 | N21 | C22 | 119.6° | 121.1° |
| N21 | C20 | N25 | 120.6° | 121.6° |
| N21 | C22 | C23 | 121.2° | 119.3° |
| N21 | C22 | H221 | 119.4° | 120.3° |
| C22 | C23 | C24 | 116.7° | 118.5° |
| C23 | C22 | H221 | 119.4° | 120.3° |
| C22 | C23 | H231 | 121.6° | 120.8° |
| C23 | C24 | N25 | 118.5° | 118.9° |
| C23 | C24 | C26 | 122.7° | 120.6° |
| C24 | C23 | H231 | 121.7° | 120.7° |
| N25 | C24 | C26 | 118.8° | 120.5° |
| C24 | N25 | C20 | 123.4° | 120.6° |
| C24 | C26 | C27 | 125.7° | 126.7° |
| C24 | C26 | C34 | 126.3° | 126.7° |
| C26 | C27 | N28 | 107.6° | 109.7° |
| C27 | C26 | C34 | 108.0° | 106.7° |
| C26 | C27 | H271 | 126.2° | 125.1° |
| C27 | N28 | C29 | 109.9° | 110.3° |
| C27 | N28 | C35 | 125.0° | 124.9° |
| N28 | C27 | H271 | 126.2° | 125.1° |
| C29 | C30 | C31 | 120.0° | 119.9° |
| C30 | C29 | N28 | 130.7° | 133.3° |
| C30 | C29 | C34 | 120.2° | 119.4° |
| C29 | C30 | H301 | 120.0° | 120.0° |
| C30 | C31 | C32 | 119.9° | 120.7° |
| C31 | C30 | H301 | 120.0° | 120.0° |
| C30 | C31 | H311 | 120.1° | 119.7° |
| C31 | C32 | C33 | 119.8° | 120.3° |
| C32 | C31 | H311 | 120.0° | 119.7° |
| C31 | C32 | H321 | 120.1° | 119.9° |
| C32 | C33 | C34 | 120.4° | 119.7° |
| C33 | C32 | H321 | 120.1° | 119.9° |
| C32 | C33 | H331 | 119.8° | 120.1° |
| C33 | C34 | C26 | 135.0° | 134.0° |
| C33 | C34 | C29 | 119.5° | 120.0° |
| C34 | C33 | H331 | 119.7° | 120.1° |
| C29 | N28 | C35 | 125.1° | 124.8° |
| N28 | C29 | C34 | 109.0° | 107.4° |
| N28 | C35 | C36 | 110.0° | 109.5° |
| N28 | C35 | H352 | 109.3° | 109.5° |
| N28 | C35 | H351 | 109.3° | 109.5° |
| C35 | C36 | F37 | 109.5° | 109.5° |
| C35 | C36 | F38 | 110.0° | 109.5° |
| C35 | C36 | F39 | 109.2° | 109.5° |
| C36 | C35 | H352 | 109.4° | 109.5° |
| C36 | C35 | H351 | 109.4° | 109.5° |
| F37 | C36 | F38 | 108.8° | 109.4° |
| F37 | C36 | F39 | 109.5° | 109.5° |
| F38 | C36 | F39 | 109.8° | 109.4° |
| C11 | C10 | O40 | 119.5° | 120.0° |
| C10 | O40 | C41 | 113.4° | 117.0° |
| O40 | C41 | H413 | 109.5° | 109.5° |
| O40 | C41 | H411 | 109.4° | 109.5° |
| O40 | C41 | H412 | 109.4° | 109.5° |
| C26 | C34 | C29 | 105.5° | 105.9° |
| H013 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H011 | 109.5° | 109.4° |
| H012 | C01 | H011 | 109.5° | 109.4° |
| H033 | C03 | H032 | 109.4° | 109.5° |
| H033 | C03 | H031 | 109.5° | 109.5° |
| H032 | C03 | H031 | 109.5° | 109.5° |
| H042 | C04 | H041 | 109.5° | 109.4° |
| H051 | C05 | H052 | 109.5° | 109.5° |
| H071 | C07 | H073 | 109.4° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.4° |
| H073 | C07 | H072 | 109.5° | 109.5° |
| H171 | C17 | H2 | 109.4° | 109.4° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H182 | C18 | H3 | 109.5° | 109.5° |
| H181 | C18 | H3 | 109.5° | 109.4° |
| H352 | C35 | H351 | 109.5° | 109.5° |
| H413 | C41 | H411 | 109.5° | 109.4° |
| H413 | C41 | H412 | 109.5° | 109.4° |
| H411 | C41 | H412 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C03 | C04 | 120.1° | 123.9° |
| C01 | N02 | C04 | C05 | 28.9° | 66.1° |
| N02 | C01 | H013 | H012 | 120.0° | 120.0° |
| N02 | C01 | H013 | H011 | 120.0° | 120.0° |
| N02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C01 | N02 | C03 | H033 | 180.0° | 176.1° |
| C01 | N02 | C03 | H032 | 60.0° | 56.1° |
| C01 | N02 | C03 | H031 | 60.0° | 64.0° |
| C01 | N02 | C04 | H042 | 149.1° | 54.0° |
| C01 | N02 | C04 | H041 | 91.2° | 173.9° |
| C03 | N02 | C04 | C05 | 90.9° | 170.0° |
| C03 | N02 | C01 | H013 | 180.0° | 60.0° |
| C03 | N02 | C01 | H012 | 60.0° | 180.0° |
| C03 | N02 | C01 | H011 | 60.0° | 60.0° |
| N02 | C03 | H033 | H032 | 120.0° | 120.0° |
| N02 | C03 | H033 | H031 | 120.0° | 120.0° |
| N02 | C03 | H032 | H031 | 120.0° | 120.0° |
| C03 | N02 | C04 | H042 | 29.2° | 69.9° |
| C03 | N02 | C04 | H041 | 149.0° | 50.0° |
| N02 | C04 | C05 | H042 | 120.1° | 120.0° |
| N02 | C04 | C05 | H041 | 120.1° | 120.0° |
| N02 | C04 | C05 | N06 | 141.7° | 180.0° |
| C04 | N02 | C01 | H013 | 60.9° | 176.1° |
| C04 | N02 | C01 | H012 | 179.0° | 56.0° |
| C04 | N02 | C01 | H011 | 59.1° | 64.0° |
| C04 | N02 | C03 | H033 | 59.9° | 60.0° |
| C04 | N02 | C03 | H032 | 60.1° | 180.0° |
| C04 | N02 | C03 | H031 | 179.9° | 60.0° |
| N02 | C04 | H042 | H041 | 119.6° | 120.0° |
| N02 | C04 | C05 | H051 | 21.9° | 60.0° |
| N02 | C04 | C05 | H052 | 98.5° | 60.0° |
| C04 | C05 | N06 | H051 | 119.8° | 120.0° |
| C04 | C05 | N06 | H052 | 119.8° | 120.0° |
| C04 | C05 | N06 | C07 | 60.4° | 66.1° |
| C04 | C05 | N06 | C08 | 119.6° | 170.0° |
| C05 | C04 | H042 | H041 | 119.6° | 120.0° |
| C04 | C05 | H051 | H052 | 120.5° | 120.1° |
| C05 | N06 | C07 | C08 | 180.0° | 123.9° |
| C05 | N06 | C08 | C09 | 99.3° | 59.7° |
| C05 | N06 | C08 | C13 | 80.3° | 120.0° |
| N06 | C05 | C04 | H042 | 98.2° | 60.0° |
| N06 | C05 | C04 | H041 | 21.5° | 60.0° |
| N06 | C05 | H051 | H052 | 120.5° | 120.0° |
| C05 | N06 | C07 | H071 | 180.0° | 176.1° |
| C05 | N06 | C07 | H073 | 60.0° | 56.1° |
| C05 | N06 | C07 | H072 | 60.0° | 63.9° |
| C07 | N06 | C08 | C09 | 80.6° | 64.2° |
| C07 | N06 | C08 | C13 | 99.8° | 116.1° |
| C07 | N06 | C05 | H051 | 179.8° | 54.0° |
| C07 | N06 | C05 | H052 | 59.4° | 174.0° |
| N06 | C07 | H071 | H073 | 120.0° | 120.0° |
| N06 | C07 | H071 | H072 | 120.0° | 120.0° |
| N06 | C07 | H073 | H072 | 120.0° | 120.0° |
| N06 | C08 | C09 | C13 | 179.6° | 179.7° |
| N06 | C08 | C09 | C10 | 180.0° | 180.0° |
| N06 | C08 | C13 | C12 | 179.9° | 179.7° |
| N06 | C08 | C13 | N14 | 0.9° | 0.0° |
| C08 | N06 | C05 | H051 | 0.2° | 70.0° |
| C08 | N06 | C05 | H052 | 120.5° | 50.0° |
| C08 | N06 | C07 | H071 | 0.0° | 60.0° |
| C08 | N06 | C07 | H073 | 120.0° | 180.0° |
| C08 | N06 | C07 | H072 | 120.0° | 60.0° |
| N06 | C08 | C09 | H091 | 0.0° | 0.0° |
| C08 | C09 | C10 | H091 | 180.0° | 179.9° |
| C09 | C08 | C13 | C12 | 0.5° | 0.5° |
| C09 | C08 | C13 | N14 | 179.5° | 179.7° |
| C08 | C09 | C10 | C11 | 0.2° | 0.0° |
| C08 | C09 | C10 | O40 | 179.9° | 180.0° |
| C09 | C10 | C11 | C12 | 0.8° | 0.0° |
| C09 | C10 | C11 | N19 | 179.6° | 179.9° |
| C09 | C10 | C11 | O40 | 179.7° | 179.9° |
| C09 | C10 | O40 | C41 | 16.8° | 0.1° |
| C10 | C09 | C08 | C13 | 0.4° | 0.2° |
| C12 | C13 | N14 | C08 | 179.0° | 179.7° |
| C12 | C13 | N14 | C15 | 36.7° | 28.8° |
| C13 | C12 | C11 | H121 | 180.0° | 179.8° |
| C13 | C12 | C11 | N19 | 179.5° | 179.8° |
| C13 | C12 | C11 | C10 | 0.7° | 0.3° |
| C12 | C13 | N14 | H141 | 143.3° | 151.2° |
| C13 | N14 | C15 | H141 | 180.0° | 180.0° |
| C13 | N14 | C15 | O16 | 0.1° | 4.8° |
| C13 | N14 | C15 | C17 | 170.4° | 175.1° |
| N14 | C13 | C12 | C11 | 178.9° | 179.7° |
| N14 | C13 | C12 | H121 | 1.1° | 0.0° |
| N14 | C15 | O16 | C17 | 174.8° | 179.9° |
| N14 | C15 | C17 | C18 | 177.6° | 180.0° |
| C15 | N14 | C13 | C08 | 144.3° | 151.5° |
| N14 | C15 | C17 | H171 | 59.2° | 60.0° |
| N14 | C15 | C17 | H2 | 54.5° | 59.9° |
| O16 | C15 | C17 | C18 | 5.6° | 0.1° |
| O16 | C15 | C17 | H171 | 128.7° | 120.1° |
| O16 | C15 | N14 | H141 | 179.8° | 175.2° |
| O16 | C15 | C17 | H2 | 117.5° | 120.0° |
| C15 | C17 | C18 | H171 | 123.1° | 119.9° |
| C15 | C17 | C18 | H2 | 123.1° | 120.1° |
| C15 | C17 | H171 | H2 | 109.0° | 120.0° |
| C15 | C17 | C18 | H182 | 180.0° | 59.9° |
| C15 | C17 | C18 | H181 | 60.0° | 180.0° |
| C17 | C15 | N14 | H141 | 9.7° | 4.9° |
| C15 | C17 | C18 | H3 | 60.0° | 60.1° |
| C18 | C17 | H171 | H2 | 109.0° | 120.0° |
| C17 | C18 | H182 | H181 | 120.0° | 120.0° |
| C17 | C18 | H182 | H3 | 120.0° | 120.0° |
| C17 | C18 | H181 | H3 | 120.0° | 120.0° |
| C12 | C11 | N19 | C10 | 178.8° | 180.0° |
| C12 | C11 | N19 | C20 | 32.7° | 32.7° |
| C12 | C11 | C10 | O40 | 179.5° | 180.0° |
| C11 | C12 | C13 | C08 | 0.1° | 0.5° |
| C12 | C11 | N19 | H191 | 147.3° | 147.2° |
| C11 | N19 | C20 | H191 | 180.0° | 179.9° |
| C11 | N19 | C20 | N21 | 174.4° | 6.5° |
| N19 | C11 | C10 | O40 | 0.7° | 0.0° |
| C11 | N19 | C20 | N25 | 5.7° | 173.9° |
| N19 | C11 | C12 | H121 | 0.5° | 0.0° |
| N19 | C20 | N21 | N25 | 179.9° | 179.6° |
| N19 | C20 | N21 | C22 | 179.7° | 180.0° |
| N19 | C20 | N25 | C24 | 180.0° | 180.0° |
| C20 | N19 | C11 | C10 | 148.5° | 147.3° |
| C20 | N21 | C22 | C23 | 0.3° | 0.1° |
| N21 | C20 | N25 | C24 | 0.1° | 0.4° |
| C20 | N21 | C22 | H221 | 179.7° | 180.0° |
| N21 | C20 | N19 | H191 | 5.6° | 173.6° |
| N21 | C22 | C23 | H221 | 180.0° | 179.9° |
| N21 | C22 | C23 | C24 | 0.1° | 0.2° |
| C22 | N21 | C20 | N25 | 0.2° | 0.4° |
| N21 | C22 | C23 | H231 | 179.8° | 180.0° |
| C22 | C23 | C24 | H231 | 180.0° | 179.8° |
| C22 | C23 | C24 | N25 | 0.2° | 0.2° |
| C22 | C23 | C24 | C26 | 179.3° | 180.0° |
| C23 | C24 | N25 | C26 | 179.2° | 179.9° |
| C23 | C24 | C26 | C27 | 22.8° | 0.3° |
| C23 | C24 | N25 | C20 | 0.3° | 0.1° |
| C23 | C24 | C26 | C34 | 158.4° | 180.0° |
| C24 | C23 | C22 | H221 | 179.9° | 179.7° |
| N25 | C24 | C26 | C27 | 156.4° | 179.9° |
| N25 | C24 | C26 | C34 | 22.4° | 0.2° |
| N25 | C24 | C23 | H231 | 179.8° | 180.0° |
| C24 | C26 | C27 | C34 | 179.0° | 179.7° |
| C24 | C26 | C27 | N28 | 179.4° | 180.0° |
| C24 | C26 | C34 | C33 | 1.2° | 0.0° |
| C26 | C24 | N25 | C20 | 179.5° | 179.8° |
| C24 | C26 | C34 | C29 | 179.3° | 180.0° |
| C26 | C24 | C23 | H231 | 0.7° | 0.2° |
| C24 | C26 | C27 | H271 | 0.6° | 0.0° |
| C26 | C27 | N28 | H271 | 180.0° | 180.0° |
| C27 | C26 | C34 | C33 | 179.8° | 179.8° |
| C26 | C27 | N28 | C29 | 0.3° | 0.2° |
| C26 | C27 | N28 | C35 | 179.8° | 179.8° |
| C27 | C26 | C34 | C29 | 0.4° | 0.2° |
| C27 | N28 | C29 | C30 | 179.9° | 180.0° |
| C27 | N28 | C29 | C35 | 179.9° | 180.0° |
| C27 | N28 | C35 | C36 | 92.0° | 95.0° |
| N28 | C27 | C26 | C34 | 0.4° | 0.3° |
| C27 | N28 | C29 | C34 | 0.0° | 0.0° |
| C27 | N28 | C35 | H352 | 147.9° | 145.0° |
| C27 | N28 | C35 | H351 | 28.1° | 25.0° |
| C29 | C30 | C31 | H301 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.1° | 0.0° |
| C30 | C29 | C34 | C33 | 0.2° | 0.1° |
| C30 | C29 | N28 | C34 | 179.9° | 180.0° |
| C30 | C29 | N28 | C35 | 0.1° | 0.0° |
| C30 | C29 | C34 | C26 | 179.7° | 179.9° |
| C29 | C30 | C31 | H311 | 179.9° | 180.0° |
| C30 | C31 | C32 | H311 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 0.1° | 0.1° |
| C31 | C30 | C29 | N28 | 179.8° | 180.0° |
| C31 | C30 | C29 | C34 | 0.1° | 0.0° |
| C30 | C31 | C32 | H321 | 179.8° | 180.0° |
| C31 | C32 | C33 | H321 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 0.2° | 0.2° |
| C32 | C31 | C30 | H301 | 179.9° | 180.0° |
| C31 | C32 | C33 | H331 | 179.8° | 180.0° |
| C32 | C33 | C34 | H331 | 180.0° | 179.7° |
| C32 | C33 | C34 | C26 | 179.6° | 179.7° |
| C32 | C33 | C34 | C29 | 0.2° | 0.3° |
| C33 | C32 | C31 | H311 | 179.8° | 179.9° |
| C33 | C34 | C29 | N28 | 179.8° | 179.9° |
| C33 | C34 | C26 | C29 | 179.4° | 180.0° |
| C34 | C33 | C32 | H321 | 179.8° | 179.9° |
| C29 | N28 | C35 | C36 | 88.1° | 85.0° |
| N28 | C29 | C34 | C26 | 0.2° | 0.1° |
| C29 | N28 | C27 | H271 | 179.7° | 179.9° |
| N28 | C29 | C30 | H301 | 0.2° | 0.0° |
| C29 | N28 | C35 | H352 | 32.0° | 35.0° |
| C29 | N28 | C35 | H351 | 151.8° | 155.0° |
| N28 | C35 | C36 | H352 | 120.1° | 120.0° |
| N28 | C35 | C36 | H351 | 120.1° | 120.0° |
| N28 | C35 | C36 | F37 | 69.3° | 60.0° |
| N28 | C35 | C36 | F38 | 50.3° | 180.0° |
| N28 | C35 | C36 | F39 | 170.8° | 60.0° |
| C35 | N28 | C29 | C34 | 180.0° | 180.0° |
| C35 | N28 | C27 | H271 | 0.2° | 0.1° |
| N28 | C35 | H352 | H351 | 119.7° | 120.0° |
| C35 | C36 | F37 | F38 | 120.2° | 120.0° |
| C35 | C36 | F37 | F39 | 119.7° | 120.0° |
| C35 | C36 | F38 | F39 | 120.2° | 120.0° |
| C36 | C35 | H352 | H351 | 119.8° | 120.0° |
| F37 | C36 | F38 | F39 | 119.8° | 120.0° |
| F37 | C36 | C35 | H352 | 50.8° | 180.0° |
| F37 | C36 | C35 | H351 | 170.6° | 60.0° |
| F38 | C36 | C35 | H352 | 170.3° | 60.0° |
| F38 | C36 | C35 | H351 | 69.8° | 60.0° |
| F39 | C36 | C35 | H352 | 69.1° | 60.0° |
| F39 | C36 | C35 | H351 | 50.8° | 180.0° |
| C11 | C10 | O40 | C41 | 162.9° | 180.0° |
| C11 | C10 | C09 | H091 | 179.7° | 180.0° |
| C10 | C11 | C12 | H121 | 179.3° | 180.0° |
| C10 | C11 | N19 | H191 | 31.5° | 32.8° |
| O40 | C10 | C09 | H091 | 0.1° | 0.1° |
| C10 | O40 | C41 | H413 | 180.0° | 180.0° |
| C10 | O40 | C41 | H411 | 60.0° | 60.1° |
| C10 | O40 | C41 | H412 | 60.0° | 60.0° |
| O40 | C41 | H413 | H411 | 120.0° | 120.0° |
| O40 | C41 | H413 | H412 | 120.0° | 120.0° |
| O40 | C41 | H411 | H412 | 119.9° | 120.1° |
| C13 | C08 | C09 | H091 | 179.6° | 179.7° |
| C08 | C13 | C12 | H121 | 179.9° | 179.7° |
| C08 | C13 | N14 | H141 | 35.7° | 28.5° |
| N25 | C20 | N19 | H191 | 174.3° | 6.1° |
| C34 | C26 | C27 | H271 | 179.6° | 179.8° |
| C26 | C34 | C33 | H331 | 0.4° | 0.0° |
| C34 | C29 | C30 | H301 | 179.9° | 179.9° |
| C29 | C34 | C33 | H331 | 179.8° | 180.0° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H033 | C03 | H032 | H031 | 120.0° | 120.0° |
| H042 | C04 | C05 | H051 | 142.0° | 60.0° |
| H042 | C04 | C05 | H052 | 21.6° | 179.9° |
| H041 | C04 | C05 | H051 | 98.3° | 179.9° |
| H041 | C04 | C05 | H052 | 141.4° | 60.0° |
| H071 | C07 | H073 | H072 | 120.0° | 119.9° |
| H171 | C17 | C18 | H182 | 56.9° | 60.0° |
| H171 | C17 | C18 | H181 | 176.9° | 60.1° |
| H171 | C17 | C18 | H3 | 63.1° | NaN° |
| H182 | C18 | H181 | H3 | 120.0° | 120.0° |
| H182 | C18 | C17 | H2 | 56.9° | 180.0° |
| H181 | C18 | C17 | H2 | 63.1° | 59.9° |
| H221 | C22 | C23 | H231 | 0.2° | 0.0° |
| H301 | C30 | C31 | H311 | 0.1° | 0.1° |
| H311 | C31 | C32 | H321 | 0.2° | 0.0° |
| H321 | C32 | C33 | H331 | 0.2° | 0.1° |
| H413 | C41 | H411 | H412 | 120.0° | 119.9° |
| H2 | C17 | C18 | H3 | 176.9° | 60.0° |
