Q8U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C03 | C02 | sing | 1.55Å | 1.57Å | |
| C03 | N04 | sing | 1.48Å | 1.23Å | |
| C02 | C01 | sing | 1.55Å | 1.44Å | |
| N04 | C06 | sing | 1.47Å | 1.26Å | |
| N04 | C05 | sing | 1.47Å | 1.57Å | |
| C06 | C12 | sing | 1.52Å | 1.59Å | |
| C06 | C07 | sing | 1.52Å | 1.68Å | |
| C12 | C11 | sing | 1.53Å | 1.49Å | |
| C07 | C08 | sing | 1.53Å | 1.53Å | |
| C01 | C05 | sing | 1.54Å | 1.29Å | |
| C08 | C09 | sing | 1.51Å | 1.54Å | |
| C11 | C10 | sing | 1.52Å | 1.57Å | |
| C09 | C10 | doub | 1.37Å | 1.38Å | Aromatic |
| C09 | C16 | sing | 1.38Å | 1.45Å | Aromatic |
| C10 | C13 | sing | 1.38Å | 1.44Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.43Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.42Å | Aromatic |
| C15 | C14 | sing | 1.39Å | 1.40Å | Aromatic |
| C14 | N17 | sing | 1.40Å | 1.44Å | |
| N17 | C18 | sing | 1.40Å | 1.54Å | |
| C18 | N19 | doub | 1.31Å | 1.32Å | Aromatic |
| C18 | N22 | sing | 1.34Å | 1.38Å | Aromatic |
| N19 | N20 | sing | 1.40Å | 1.33Å | Aromatic |
| C31 | C30 | sing | 1.53Å | 1.51Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| N22 | C21 | doub | 1.32Å | 1.29Å | Aromatic |
| N20 | C21 | sing | 1.35Å | 1.37Å | Aromatic |
| N20 | C24 | sing | 1.40Å | 1.47Å | |
| C29 | C24 | doub | 1.40Å | 1.42Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.48Å | Aromatic |
| C30 | C28 | sing | 1.50Å | 1.56Å | |
| C32 | C33 | sing | 1.50Å | 1.54Å | |
| C21 | N23 | sing | 1.38Å | 1.48Å | |
| C24 | N25 | sing | 1.32Å | 1.36Å | Aromatic |
| C28 | C27 | doub | 1.40Å | 1.38Å | Aromatic |
| N25 | N26 | doub | 1.29Å | 1.34Å | Aromatic |
| C27 | N26 | sing | 1.32Å | 1.38Å | Aromatic |
| C27 | C38 | sing | 1.48Å | 1.44Å | |
| C33 | C38 | doub | 1.40Å | 1.39Å | Aromatic |
| C33 | C34 | sing | 1.38Å | 1.42Å | Aromatic |
| C38 | C37 | sing | 1.39Å | 1.41Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.37Å | Aromatic |
| C37 | C36 | doub | 1.38Å | 1.39Å | Aromatic |
| C35 | C36 | sing | 1.38Å | 1.44Å | Aromatic |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| N17 | H171 | sing | 0.97Å | 1.00Å | |
| N23 | H232 | sing | 0.97Å | 1.00Å | |
| N23 | H231 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C03 | N04 | 106.1° | 104.8° |
| C03 | C02 | C01 | 105.5° | 101.6° |
| C03 | C02 | H021 | 110.5° | 111.0° |
| C03 | C02 | H022 | 110.5° | 111.0° |
| C02 | C03 | H031 | 110.3° | 110.4° |
| C02 | C03 | H032 | 110.3° | 110.4° |
| C03 | N04 | C06 | 114.8° | 111.0° |
| C03 | N04 | C05 | 107.9° | 108.5° |
| N04 | C03 | H031 | 110.3° | 110.4° |
| N04 | C03 | H032 | 110.3° | 110.4° |
| C02 | C01 | C05 | 105.7° | 103.0° |
| C02 | C01 | H012 | 110.4° | 110.7° |
| C02 | C01 | H011 | 110.4° | 110.9° |
| C01 | C02 | H021 | 110.5° | 111.0° |
| C01 | C02 | H022 | 110.4° | 111.0° |
| C06 | N04 | C05 | 119.2° | 111.0° |
| N04 | C06 | C12 | 115.5° | 108.5° |
| N04 | C06 | C07 | 110.3° | 108.5° |
| N04 | C06 | H061 | 109.6° | 108.3° |
| N04 | C05 | C01 | 106.9° | 107.3° |
| N04 | C05 | H051 | 110.1° | 109.8° |
| N04 | C05 | H052 | 110.1° | 110.0° |
| C12 | C06 | C07 | 110.6° | 114.4° |
| C06 | C12 | C11 | 117.2° | 111.0° |
| C06 | C12 | H121 | 107.5° | 109.2° |
| C06 | C12 | H122 | 107.5° | 109.1° |
| C12 | C06 | H061 | 105.5° | 108.5° |
| C06 | C07 | C08 | 110.4° | 111.0° |
| C07 | C06 | H061 | 104.7° | 108.5° |
| C06 | C07 | H072 | 109.2° | 109.2° |
| C06 | C07 | H071 | 109.2° | 109.2° |
| C12 | C11 | C10 | 118.5° | 108.5° |
| C12 | C11 | H111 | 107.2° | 109.6° |
| C12 | C11 | H112 | 107.2° | 109.8° |
| C11 | C12 | H121 | 107.5° | 109.2° |
| C11 | C12 | H122 | 107.5° | 109.2° |
| C07 | C08 | C09 | 113.1° | 108.6° |
| C08 | C07 | H072 | 109.2° | 109.2° |
| C08 | C07 | H071 | 109.2° | 109.2° |
| C07 | C08 | H081 | 108.6° | 109.6° |
| C07 | C08 | H082 | 108.6° | 109.6° |
| C05 | C01 | H012 | 110.4° | 110.7° |
| C05 | C01 | H011 | 110.4° | 110.7° |
| C01 | C05 | H051 | 110.1° | 109.9° |
| C01 | C05 | H052 | 110.1° | 109.9° |
| C08 | C09 | C10 | 124.8° | 120.1° |
| C08 | C09 | C16 | 114.5° | 119.4° |
| C09 | C08 | H081 | 108.5° | 109.5° |
| C09 | C08 | H082 | 108.5° | 109.6° |
| C11 | C10 | C09 | 126.1° | 120.1° |
| C11 | C10 | C13 | 114.7° | 119.4° |
| C10 | C11 | H111 | 107.1° | 109.6° |
| C10 | C11 | H112 | 107.2° | 109.6° |
| C10 | C09 | C16 | 120.7° | 120.4° |
| C09 | C10 | C13 | 119.1° | 120.4° |
| C09 | C16 | C15 | 119.7° | 119.8° |
| C09 | C16 | H161 | 120.2° | 120.1° |
| C10 | C13 | C14 | 120.7° | 119.5° |
| C10 | C13 | H131 | 119.7° | 120.2° |
| C16 | C15 | C14 | 119.7° | 120.0° |
| C16 | C15 | H151 | 120.1° | 120.0° |
| C15 | C16 | H161 | 120.1° | 120.1° |
| C13 | C14 | C15 | 120.0° | 119.9° |
| C13 | C14 | N17 | 118.3° | 120.0° |
| C14 | C13 | H131 | 119.7° | 120.3° |
| C15 | C14 | N17 | 121.6° | 120.1° |
| C14 | C15 | H151 | 120.2° | 120.0° |
| C14 | N17 | C18 | 122.5° | 120.0° |
| C14 | N17 | H171 | 118.7° | 120.0° |
| N17 | C18 | N19 | 127.9° | 125.5° |
| N17 | C18 | N22 | 124.4° | 125.5° |
| C18 | N17 | H171 | 118.8° | 120.1° |
| N19 | C18 | N22 | 107.7° | 109.0° |
| C18 | N19 | N20 | 107.8° | 107.0° |
| C18 | N22 | C21 | 108.3° | 109.6° |
| N19 | N20 | C21 | 108.2° | 106.4° |
| N19 | N20 | C24 | 126.1° | 126.8° |
| C30 | C31 | C32 | 117.5° | 110.7° |
| C31 | C30 | C28 | 114.8° | 110.9° |
| C31 | C30 | H302 | 108.1° | 109.2° |
| C31 | C30 | H301 | 108.2° | 109.1° |
| C30 | C31 | H312 | 107.4° | 109.2° |
| C30 | C31 | H311 | 107.4° | 109.3° |
| C31 | C32 | C33 | 116.8° | 111.4° |
| C32 | C31 | H312 | 107.4° | 109.2° |
| C32 | C31 | H311 | 107.4° | 109.2° |
| C31 | C32 | H321 | 107.6° | 109.0° |
| C31 | C32 | H322 | 107.6° | 109.1° |
| N22 | C21 | N20 | 108.0° | 107.9° |
| N22 | C21 | N23 | 125.7° | 126.0° |
| C21 | N20 | C24 | 125.7° | 126.8° |
| N20 | C21 | N23 | 126.3° | 126.0° |
| N20 | C24 | C29 | 119.9° | 120.0° |
| N20 | C24 | N25 | 119.3° | 120.0° |
| C24 | C29 | C28 | 115.7° | 117.5° |
| C29 | C24 | N25 | 120.8° | 120.0° |
| C24 | C29 | H291 | 122.1° | 121.3° |
| C29 | C28 | C30 | 120.6° | 121.9° |
| C29 | C28 | C27 | 119.4° | 118.5° |
| C28 | C29 | H291 | 122.1° | 121.2° |
| C30 | C28 | C27 | 120.0° | 119.7° |
| C28 | C30 | H302 | 108.1° | 109.2° |
| C28 | C30 | H301 | 108.1° | 109.2° |
| C32 | C33 | C38 | 120.6° | 119.3° |
| C32 | C33 | C34 | 118.6° | 120.9° |
| C33 | C32 | H321 | 107.6° | 109.1° |
| C33 | C32 | H322 | 107.6° | 109.1° |
| C21 | N23 | H232 | 109.5° | 120.0° |
| C21 | N23 | H231 | 109.5° | 120.0° |
| C24 | N25 | N26 | 123.2° | 122.5° |
| C28 | C27 | N26 | 120.9° | 119.9° |
| C28 | C27 | C38 | 125.1° | 118.4° |
| N25 | N26 | C27 | 120.0° | 121.6° |
| N26 | C27 | C38 | 114.0° | 121.7° |
| C27 | C38 | C33 | 124.3° | 118.9° |
| C27 | C38 | C37 | 115.4° | 121.1° |
| C38 | C33 | C34 | 120.8° | 119.8° |
| C33 | C38 | C37 | 120.3° | 120.0° |
| C33 | C34 | C35 | 119.2° | 120.0° |
| C33 | C34 | H341 | 120.4° | 120.0° |
| C38 | C37 | C36 | 119.0° | 119.7° |
| C38 | C37 | H371 | 120.5° | 120.2° |
| C34 | C35 | C36 | 120.2° | 120.3° |
| C35 | C34 | H341 | 120.4° | 120.1° |
| C34 | C35 | H351 | 119.9° | 119.8° |
| C37 | C36 | C35 | 120.5° | 120.2° |
| C37 | C36 | H361 | 119.7° | 119.9° |
| C36 | C37 | H371 | 120.5° | 120.2° |
| C36 | C35 | H351 | 119.9° | 119.9° |
| C35 | C36 | H361 | 119.8° | 119.9° |
| H111 | C11 | H112 | 109.5° | 109.7° |
| H121 | C12 | H122 | 109.5° | 109.1° |
| H012 | C01 | H011 | 109.5° | 110.6° |
| H021 | C02 | H022 | 109.5° | 110.9° |
| H031 | C03 | H032 | 109.5° | 110.4° |
| H051 | C05 | H052 | 109.5° | 109.9° |
| H072 | C07 | H071 | 109.5° | 109.1° |
| H081 | C08 | H082 | 109.5° | 109.9° |
| H302 | C30 | H301 | 109.5° | 109.2° |
| H312 | C31 | H311 | 109.5° | 109.2° |
| H321 | C32 | H322 | 109.5° | 109.1° |
| H232 | N23 | H231 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C03 | N04 | H031 | 119.5° | 118.9° |
| C02 | C03 | N04 | H032 | 119.5° | 118.8° |
| C03 | C02 | C01 | H021 | 119.4° | 118.0° |
| C03 | C02 | C01 | H022 | 119.4° | 118.1° |
| C02 | C03 | N04 | C06 | 120.3° | 146.3° |
| C02 | C03 | N04 | C05 | 15.4° | 24.1° |
| C03 | C02 | C01 | C05 | 18.4° | 35.7° |
| C03 | C02 | C01 | H012 | 137.8° | 154.1° |
| C03 | C02 | C01 | H011 | 101.0° | 82.8° |
| C03 | C02 | H021 | H022 | 121.9° | 123.9° |
| C02 | C03 | H031 | H032 | 121.5° | 122.3° |
| N04 | C03 | C02 | C01 | 0.1° | 37.1° |
| C03 | N04 | C06 | C05 | 130.3° | 120.8° |
| C03 | N04 | C06 | C12 | 66.7° | 180.0° |
| C03 | N04 | C06 | C07 | 167.0° | 55.2° |
| C03 | N04 | C05 | C01 | 28.9° | 1.0° |
| N04 | C03 | C02 | H021 | 119.5° | 155.2° |
| N04 | C03 | C02 | H022 | 119.2° | 81.0° |
| N04 | C03 | H031 | H032 | 121.6° | 122.3° |
| C03 | N04 | C05 | H051 | 148.5° | 120.4° |
| C03 | N04 | C05 | H052 | 90.7° | 118.5° |
| C03 | N04 | C06 | H061 | 52.2° | 62.4° |
| C02 | C01 | C05 | N04 | 27.0° | 22.3° |
| C02 | C01 | C05 | H012 | 119.4° | 118.3° |
| C02 | C01 | C05 | H011 | 119.4° | 118.6° |
| C02 | C01 | H012 | H011 | 121.7° | 123.3° |
| C01 | C02 | H021 | H022 | 121.8° | 123.9° |
| C01 | C02 | C03 | H031 | 119.6° | 81.8° |
| C01 | C02 | C03 | H032 | 119.4° | 155.9° |
| C02 | C01 | C05 | H051 | 146.6° | 97.1° |
| C02 | C01 | C05 | H052 | 92.6° | 141.9° |
| N04 | C06 | C12 | C07 | 126.1° | 121.3° |
| N04 | C06 | C12 | H061 | 121.2° | 117.5° |
| N04 | C06 | C07 | H061 | 117.9° | 117.5° |
| N04 | C06 | C12 | C11 | 92.5° | 170.6° |
| N04 | C06 | C07 | C08 | 178.5° | 170.6° |
| C06 | N04 | C05 | C01 | 104.4° | 123.2° |
| N04 | C06 | C12 | H121 | 28.6° | 50.2° |
| N04 | C06 | C12 | H122 | 146.4° | 69.0° |
| C06 | N04 | C03 | H031 | 0.8° | 27.5° |
| C06 | N04 | C03 | H032 | 120.2° | 94.8° |
| C06 | N04 | C05 | H051 | 15.2° | 117.3° |
| C06 | N04 | C05 | H052 | 136.0° | 3.7° |
| N04 | C06 | C07 | H072 | 58.4° | 50.2° |
| N04 | C06 | C07 | H071 | 61.4° | 69.0° |
| C05 | N04 | C06 | C12 | 63.6° | 59.2° |
| C05 | N04 | C06 | C07 | 62.7° | 175.9° |
| N04 | C05 | C01 | H051 | 119.6° | 119.4° |
| N04 | C05 | C01 | H052 | 119.6° | 119.6° |
| N04 | C05 | C01 | H012 | 146.4° | 140.6° |
| N04 | C05 | C01 | H011 | 92.4° | 96.3° |
| C05 | N04 | C03 | H031 | 134.8° | 94.7° |
| C05 | N04 | C03 | H032 | 104.1° | 142.9° |
| N04 | C05 | H051 | H052 | 121.2° | 121.2° |
| C05 | N04 | C06 | H061 | 177.5° | 58.4° |
| C12 | C06 | C07 | H061 | 113.2° | 121.2° |
| C06 | C12 | C11 | H121 | 121.1° | 120.4° |
| C06 | C12 | C11 | H122 | 121.1° | 120.4° |
| C12 | C06 | C07 | C08 | 52.5° | 68.1° |
| C06 | C12 | C11 | C10 | 76.0° | 85.6° |
| C06 | C12 | C11 | H111 | 45.3° | 34.0° |
| C06 | C12 | C11 | H112 | 162.7° | 154.6° |
| C06 | C12 | H121 | H122 | 116.5° | 119.2° |
| C12 | C06 | C07 | H072 | 172.7° | 171.5° |
| C12 | C06 | C07 | H071 | 67.6° | 52.3° |
| C07 | C06 | C12 | C11 | 33.6° | 68.1° |
| C06 | C07 | C08 | H072 | 120.1° | 120.4° |
| C06 | C07 | C08 | H071 | 120.1° | 120.4° |
| C06 | C07 | C08 | C09 | 89.4° | 85.6° |
| C07 | C06 | C12 | H121 | 154.8° | 171.5° |
| C07 | C06 | C12 | H122 | 87.5° | 52.3° |
| C06 | C07 | H072 | H071 | 119.5° | 119.3° |
| C06 | C07 | C08 | H081 | 31.1° | 34.1° |
| C06 | C07 | C08 | H082 | 150.0° | 154.7° |
| C12 | C11 | C10 | H111 | 121.3° | 119.6° |
| C12 | C11 | C10 | H112 | 121.3° | 119.9° |
| C12 | C11 | C10 | C09 | 33.0° | 70.9° |
| C12 | C11 | C10 | C13 | 148.4° | 109.3° |
| C12 | C11 | H111 | H112 | 115.9° | 120.7° |
| C11 | C12 | H121 | H122 | 116.5° | 119.3° |
| C11 | C12 | C06 | H061 | 146.3° | 53.1° |
| C07 | C08 | C09 | H081 | 120.5° | 119.7° |
| C07 | C08 | C09 | H082 | 120.6° | 119.8° |
| C07 | C08 | C09 | C10 | 39.7° | 70.3° |
| C07 | C08 | C09 | C16 | 139.7° | 109.0° |
| C08 | C07 | C06 | H061 | 60.6° | 53.1° |
| C08 | C07 | H072 | H071 | 119.6° | 119.3° |
| C07 | C08 | H081 | H082 | 118.4° | 120.5° |
| C05 | C01 | H012 | H011 | 121.7° | 123.1° |
| C05 | C01 | C02 | H021 | 101.0° | 153.7° |
| C05 | C01 | C02 | H022 | 137.7° | 82.5° |
| C01 | C05 | H051 | H052 | 121.2° | 121.1° |
| C08 | C09 | C10 | C11 | 0.6° | 0.5° |
| C08 | C09 | C10 | C16 | 179.3° | 179.3° |
| C08 | C09 | C10 | C13 | 179.1° | 179.8° |
| C08 | C09 | C16 | C15 | 179.2° | 179.8° |
| C08 | C09 | C16 | H161 | 0.8° | 0.5° |
| C09 | C08 | C07 | H072 | 150.4° | 154.1° |
| C09 | C08 | C07 | H071 | 30.7° | 34.9° |
| C09 | C08 | H081 | H082 | 118.3° | 120.4° |
| C11 | C10 | C09 | C13 | 178.5° | 179.7° |
| C11 | C10 | C09 | C16 | 178.7° | 179.8° |
| C11 | C10 | C13 | C14 | 178.6° | 180.0° |
| C10 | C11 | H111 | H112 | 115.9° | 120.4° |
| C10 | C11 | C12 | H121 | 162.9° | 154.0° |
| C10 | C11 | C12 | H122 | 45.1° | 34.8° |
| C11 | C10 | C13 | H131 | 1.4° | 0.0° |
| C10 | C09 | C16 | C15 | 0.2° | 0.5° |
| C09 | C10 | C13 | C14 | 0.0° | 0.2° |
| C09 | C10 | C11 | H111 | 88.2° | 48.7° |
| C09 | C10 | C11 | H112 | 154.3° | 169.1° |
| C09 | C10 | C13 | H131 | 180.0° | 179.7° |
| C10 | C09 | C16 | H161 | 179.8° | 179.8° |
| C10 | C09 | C08 | H081 | 80.9° | 49.3° |
| C10 | C09 | C08 | H082 | 160.2° | 169.9° |
| C16 | C09 | C10 | C13 | 0.3° | 0.5° |
| C09 | C16 | C15 | H161 | 180.0° | 179.7° |
| C09 | C16 | C15 | C14 | 0.2° | 0.3° |
| C09 | C16 | C15 | H151 | 179.8° | 179.7° |
| C16 | C09 | C08 | H081 | 99.7° | 131.4° |
| C16 | C09 | C08 | H082 | 19.2° | 10.8° |
| C10 | C13 | C14 | H131 | 180.0° | 180.0° |
| C10 | C13 | C14 | C15 | 0.4° | 0.0° |
| C10 | C13 | C14 | N17 | 180.0° | 180.0° |
| C13 | C10 | C11 | H111 | 90.3° | 131.0° |
| C13 | C10 | C11 | H112 | 27.1° | 10.6° |
| C16 | C15 | C14 | C13 | 0.4° | 0.0° |
| C16 | C15 | C14 | H151 | 180.0° | 180.0° |
| C16 | C15 | C14 | N17 | 179.9° | 179.9° |
| C13 | C14 | C15 | N17 | 179.6° | 179.9° |
| C13 | C14 | N17 | C18 | 149.2° | 150.7° |
| C13 | C14 | C15 | H151 | 179.5° | 180.0° |
| C13 | C14 | N17 | H171 | 30.8° | 29.3° |
| C15 | C14 | N17 | C18 | 31.2° | 29.4° |
| C15 | C14 | C13 | H131 | 179.6° | 180.0° |
| C14 | C15 | C16 | H161 | 179.8° | 179.9° |
| C15 | C14 | N17 | H171 | 148.8° | 150.6° |
| C14 | N17 | C18 | H171 | 180.0° | 180.0° |
| C14 | N17 | C18 | N19 | 1.8° | 174.6° |
| C14 | N17 | C18 | N22 | 178.1° | 5.4° |
| N17 | C14 | C13 | H131 | 0.0° | 0.1° |
| N17 | C14 | C15 | H151 | 0.1° | 0.1° |
| N17 | C18 | N19 | N22 | 179.9° | 179.9° |
| N17 | C18 | N19 | N20 | 179.8° | 180.0° |
| N17 | C18 | N22 | C21 | 179.7° | 179.9° |
| N19 | C18 | N22 | C21 | 0.2° | 0.1° |
| C18 | N19 | N20 | C21 | 0.7° | 0.2° |
| C18 | N19 | N20 | C24 | 178.9° | 179.8° |
| N19 | C18 | N17 | H171 | 178.3° | 5.4° |
| N22 | C18 | N19 | N20 | 0.3° | 0.1° |
| C18 | N22 | C21 | N20 | 0.6° | 0.2° |
| C18 | N22 | C21 | N23 | 180.0° | 180.0° |
| N22 | C18 | N17 | H171 | 1.9° | 174.6° |
| N19 | N20 | C21 | N22 | 0.8° | 0.2° |
| N19 | N20 | C21 | C24 | 178.3° | 179.9° |
| N19 | N20 | C24 | C29 | 16.7° | 25.2° |
| N19 | N20 | C21 | N23 | 179.8° | 180.0° |
| N19 | N20 | C24 | N25 | 161.9° | 155.0° |
| C30 | C31 | C32 | H312 | 121.2° | 120.3° |
| C30 | C31 | C32 | H311 | 121.1° | 120.4° |
| C31 | C30 | C28 | C29 | 114.8° | 103.6° |
| C31 | C30 | C28 | H302 | 120.8° | 120.4° |
| C31 | C30 | C28 | H301 | 120.8° | 120.3° |
| C30 | C31 | C32 | C33 | 34.0° | 44.4° |
| C31 | C30 | C28 | C27 | 65.5° | 78.0° |
| C31 | C30 | H302 | H301 | 117.6° | 119.3° |
| C30 | C31 | H312 | H311 | 116.4° | 119.4° |
| C30 | C31 | C32 | H321 | 87.1° | 164.8° |
| C30 | C31 | C32 | H322 | 155.0° | 76.2° |
| C32 | C31 | C30 | C28 | 42.0° | 44.3° |
| C31 | C32 | C33 | H321 | 121.1° | 120.4° |
| C31 | C32 | C33 | H322 | 121.0° | 120.5° |
| C31 | C32 | C33 | C38 | 61.9° | 77.0° |
| C31 | C32 | C33 | C34 | 119.9° | 103.4° |
| C32 | C31 | C30 | H302 | 78.8° | 76.1° |
| C32 | C31 | C30 | H301 | 162.8° | 164.6° |
| C32 | C31 | H312 | H311 | 116.3° | 119.4° |
| C31 | C32 | H321 | H322 | 116.7° | 119.0° |
| N22 | C21 | N20 | N23 | 179.4° | 179.8° |
| N22 | C21 | N20 | C24 | 179.1° | 179.7° |
| N22 | C21 | N23 | H232 | 0.0° | 179.7° |
| N22 | C21 | N23 | H231 | 120.0° | 0.3° |
| C21 | N20 | C24 | C29 | 165.3° | 154.7° |
| C21 | N20 | C24 | N25 | 16.0° | 25.1° |
| N20 | C21 | N23 | H232 | 179.3° | 0.0° |
| N20 | C21 | N23 | H231 | 60.7° | 179.9° |
| N20 | C24 | C29 | N25 | 178.6° | 179.8° |
| N20 | C24 | C29 | C28 | 179.2° | 179.7° |
| C24 | N20 | C21 | N23 | 1.6° | 0.1° |
| N20 | C24 | N25 | N26 | 179.3° | 179.5° |
| N20 | C24 | C29 | H291 | 0.8° | 0.3° |
| C24 | C29 | C28 | H291 | 180.0° | 179.9° |
| C24 | C29 | C28 | C30 | 179.7° | 177.3° |
| C24 | C29 | C28 | C27 | 0.1° | 1.1° |
| C29 | C24 | N25 | N26 | 0.6° | 0.7° |
| C29 | C28 | C30 | C27 | 179.6° | 178.4° |
| C28 | C29 | C24 | N25 | 0.5° | 0.1° |
| C29 | C28 | C27 | N26 | 0.7° | 1.5° |
| C29 | C28 | C27 | C38 | 179.2° | 177.6° |
| C29 | C28 | C30 | H302 | 124.4° | 136.0° |
| C29 | C28 | C30 | H301 | 5.9° | 16.7° |
| C30 | C28 | C27 | N26 | 179.7° | 177.0° |
| C30 | C28 | C27 | C38 | 1.2° | 3.9° |
| C30 | C28 | C29 | H291 | 0.3° | 2.6° |
| C28 | C30 | H302 | H301 | 117.6° | 119.3° |
| C28 | C30 | C31 | H312 | 79.1° | 164.6° |
| C28 | C30 | C31 | H311 | 163.2° | 76.1° |
| C32 | C33 | C38 | C27 | 1.4° | 2.4° |
| C32 | C33 | C38 | C34 | 178.1° | 179.7° |
| C32 | C33 | C38 | C37 | 179.1° | 178.0° |
| C32 | C33 | C34 | C35 | 179.3° | 178.6° |
| C33 | C32 | C31 | H312 | 155.1° | 75.9° |
| C33 | C32 | C31 | H311 | 87.2° | 164.8° |
| C33 | C32 | H321 | H322 | 116.7° | 119.1° |
| C32 | C33 | C34 | H341 | 0.7° | 1.4° |
| C21 | N23 | H232 | H231 | 120.0° | 180.0° |
| C24 | N25 | N26 | C27 | 0.0° | 0.4° |
| N25 | C24 | C29 | H291 | 179.5° | 180.0° |
| C28 | C27 | N26 | N25 | 0.6° | 0.7° |
| C28 | C27 | N26 | C38 | 178.7° | 179.0° |
| C28 | C27 | C38 | C33 | 44.2° | 48.5° |
| C28 | C27 | C38 | C37 | 135.3° | 131.1° |
| C27 | C28 | C29 | H291 | 179.9° | 178.9° |
| C27 | C28 | C30 | H302 | 55.3° | 42.4° |
| C27 | C28 | C30 | H301 | 173.7° | 161.7° |
| N25 | N26 | C27 | C38 | 179.3° | 178.3° |
| N26 | C27 | C38 | C33 | 134.4° | 130.5° |
| N26 | C27 | C38 | C37 | 46.1° | 49.9° |
| C27 | C38 | C33 | C37 | 179.5° | 179.6° |
| C27 | C38 | C33 | C34 | 179.5° | 178.0° |
| C27 | C38 | C37 | C36 | 179.9° | 178.6° |
| C27 | C38 | C37 | H371 | 0.1° | 1.4° |
| C38 | C33 | C34 | C35 | 1.1° | 1.1° |
| C33 | C38 | C37 | C36 | 0.4° | 1.0° |
| C38 | C33 | C32 | H321 | 59.2° | 162.6° |
| C38 | C33 | C32 | H322 | 177.0° | 43.5° |
| C38 | C33 | C34 | H341 | 178.9° | 179.0° |
| C33 | C38 | C37 | H371 | 179.7° | 179.0° |
| C34 | C33 | C38 | C37 | 1.0° | 1.6° |
| C33 | C34 | C35 | H341 | 180.0° | 180.0° |
| C33 | C34 | C35 | C36 | 0.7° | 0.1° |
| C34 | C33 | C32 | H321 | 119.0° | 17.1° |
| C34 | C33 | C32 | H322 | 1.1° | 136.1° |
| C33 | C34 | C35 | H351 | 179.4° | 180.0° |
| C38 | C37 | C36 | H371 | 180.0° | 180.0° |
| C38 | C37 | C36 | C35 | 0.1° | 0.1° |
| C38 | C37 | C36 | H361 | 179.9° | 179.8° |
| C34 | C35 | C36 | C37 | 0.1° | 0.7° |
| C34 | C35 | C36 | H351 | 180.0° | 180.0° |
| C34 | C35 | C36 | H361 | 179.9° | 179.3° |
| C37 | C36 | C35 | H361 | 180.0° | 180.0° |
| C37 | C36 | C35 | H351 | 179.9° | 179.3° |
| C36 | C35 | C34 | H341 | 179.4° | 179.9° |
| C35 | C36 | C37 | H371 | 179.9° | 179.9° |
| H111 | C11 | C12 | H121 | 75.8° | 86.4° |
| H111 | C11 | C12 | H122 | 166.4° | 154.4° |
| H112 | C11 | C12 | H121 | 41.6° | 34.2° |
| H112 | C11 | C12 | H122 | 76.2° | 85.0° |
| H121 | C12 | C06 | H061 | 92.6° | 67.3° |
| H122 | C12 | C06 | H061 | 25.2° | 173.5° |
| H151 | C15 | C16 | H161 | 0.2° | 0.1° |
| H012 | C01 | C02 | H021 | 18.4° | 87.9° |
| H012 | C01 | C02 | H022 | 102.9° | 35.9° |
| H012 | C01 | C05 | H051 | 94.0° | 21.3° |
| H012 | C01 | C05 | H052 | 26.8° | 99.8° |
| H011 | C01 | C02 | H021 | 139.6° | 35.2° |
| H011 | C01 | C02 | H022 | 18.3° | 159.1° |
| H011 | C01 | C05 | H051 | 27.2° | 144.3° |
| H011 | C01 | C05 | H052 | 148.0° | 23.3° |
| H021 | C02 | C03 | H031 | 121.0° | 36.3° |
| H021 | C02 | C03 | H032 | 0.0° | 86.0° |
| H022 | C02 | C03 | H031 | 0.2° | 160.1° |
| H022 | C02 | C03 | H032 | 121.3° | 37.8° |
| H061 | C06 | C07 | H072 | 59.5° | 67.2° |
| H061 | C06 | C07 | H071 | 179.2° | 173.6° |
| H072 | C07 | C08 | H081 | 89.1° | 86.3° |
| H072 | C07 | C08 | H082 | 29.9° | 34.3° |
| H071 | C07 | C08 | H081 | 151.2° | 154.5° |
| H071 | C07 | C08 | H082 | 89.8° | 84.9° |
| H302 | C30 | C31 | H312 | 160.1° | 44.2° |
| H302 | C30 | C31 | H311 | 42.4° | 163.5° |
| H301 | C30 | C31 | H312 | 41.6° | 75.1° |
| H301 | C30 | C31 | H311 | 76.1° | 44.2° |
| H312 | C31 | C32 | H321 | 34.1° | 44.5° |
| H312 | C31 | C32 | H322 | 83.8° | 163.5° |
| H311 | C31 | C32 | H321 | 151.8° | 74.8° |
| H311 | C31 | C32 | H322 | 33.9° | 44.2° |
| H341 | C34 | C35 | H351 | 0.6° | 0.1° |
| H351 | C35 | C36 | H361 | 0.1° | 0.7° |
| H361 | C36 | C37 | H371 | 0.1° | 0.2° |
