4IT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C03 | sing | 1.51Å | 1.57Å | |
| C02 | N22 | sing | 1.35Å | 1.45Å | |
| C02 | O01 | doub | 1.21Å | 1.20Å | |
| C03 | C04 | sing | 1.53Å | 1.55Å | |
| C03 | N08 | sing | 1.47Å | 1.43Å | |
| C04 | C05 | sing | 1.53Å | 1.62Å | |
| C05 | C06 | sing | 1.53Å | 1.55Å | |
| C05 | C07 | sing | 1.53Å | 1.56Å | |
| C09 | C10 | sing | 1.47Å | 1.54Å | |
| C09 | N08 | sing | 1.35Å | 1.47Å | |
| C09 | O21 | doub | 1.22Å | 1.16Å | |
| C10 | C11 | doub | 1.36Å | 1.39Å | Aromatic |
| C10 | N20 | sing | 1.38Å | 1.32Å | Aromatic |
| C11 | C12 | sing | 1.41Å | 1.43Å | Aromatic |
| C12 | C13 | doub | 1.41Å | 1.43Å | Aromatic |
| C12 | C19 | sing | 1.41Å | 1.36Å | Aromatic |
| C13 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | O14 | sing | 1.36Å | 1.44Å | |
| C15 | O14 | sing | 1.43Å | 1.41Å | |
| C16 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.44Å | Aromatic |
| C19 | N20 | sing | 1.37Å | 1.37Å | Aromatic |
| C23 | C24 | sing | 1.53Å | 1.55Å | |
| C23 | C31 | sing | 1.51Å | 1.50Å | |
| C23 | N22 | sing | 1.46Å | 1.47Å | |
| C24 | C25 | sing | 1.53Å | 1.57Å | |
| C25 | C29 | sing | 1.51Å | 1.32Å | |
| C26 | C27 | sing | 1.54Å | 1.28Å | |
| C27 | N28 | sing | 1.47Å | 1.61Å | |
| C29 | N28 | sing | 1.34Å | 1.61Å | |
| C29 | O30 | doub | 1.21Å | 1.16Å | |
| C31 | N32 | doub | 1.28Å | 1.25Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H063 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H073 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | 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 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H2 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| N20 | H201 | sing | 0.97Å | 1.00Å | |
| N22 | H221 | sing | 0.97Å | 1.00Å | |
| N28 | H281 | sing | 0.97Å | 1.00Å | |
| N32 | H321 | sing | 0.97Å | 1.00Å | |
| C26 | C25 | sing | 1.55Å | 1.71Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C03 | C02 | N22 | 121.6° | 120.0° |
| C03 | C02 | O01 | 120.4° | 120.0° |
| C02 | C03 | C04 | 109.0° | 109.5° |
| C02 | C03 | N08 | 110.8° | 109.5° |
| C02 | C03 | H031 | 109.1° | 109.4° |
| N22 | C02 | O01 | 118.0° | 120.0° |
| C02 | N22 | C23 | 122.7° | 120.0° |
| C02 | N22 | H221 | 118.7° | 120.0° |
| C04 | C03 | N08 | 107.4° | 109.5° |
| C03 | C04 | C05 | 116.1° | 109.5° |
| C04 | C03 | H031 | 109.4° | 109.5° |
| C03 | C04 | H041 | 107.8° | 109.5° |
| C03 | C04 | H042 | 107.8° | 109.4° |
| C03 | N08 | C09 | 117.9° | 120.0° |
| N08 | C03 | H031 | 111.0° | 109.5° |
| C03 | N08 | H081 | 121.0° | 120.0° |
| C04 | C05 | C06 | 107.1° | 109.4° |
| C04 | C05 | C07 | 114.3° | 109.5° |
| C05 | C04 | H041 | 107.8° | 109.5° |
| C05 | C04 | H042 | 107.8° | 109.5° |
| C04 | C05 | H051 | 106.6° | 109.5° |
| C06 | C05 | C07 | 114.0° | 109.5° |
| C06 | C05 | H051 | 107.2° | 109.5° |
| C05 | C06 | H062 | 109.5° | 109.5° |
| C05 | C06 | H061 | 109.5° | 109.5° |
| C05 | C06 | H063 | 109.5° | 109.5° |
| C07 | C05 | H051 | 107.2° | 109.5° |
| C05 | C07 | H072 | 109.5° | 109.5° |
| C05 | C07 | H073 | 109.5° | 109.5° |
| C05 | C07 | H071 | 109.5° | 109.5° |
| C10 | C09 | N08 | 126.0° | 120.0° |
| C10 | C09 | O21 | 118.6° | 120.0° |
| C09 | C10 | C11 | 130.8° | 125.5° |
| C09 | C10 | N20 | 122.2° | 125.5° |
| N08 | C09 | O21 | 115.1° | 120.0° |
| C09 | N08 | H081 | 121.0° | 120.0° |
| C11 | C10 | N20 | 106.9° | 109.1° |
| C10 | C11 | C12 | 108.0° | 107.7° |
| C10 | C11 | H111 | 126.0° | 126.2° |
| C10 | N20 | C19 | 111.4° | 108.7° |
| C10 | N20 | H201 | 124.3° | 125.6° |
| C11 | C12 | C13 | 136.4° | 133.3° |
| C11 | C12 | C19 | 105.5° | 107.0° |
| C12 | C11 | H111 | 126.0° | 126.1° |
| C13 | C12 | C19 | 118.1° | 119.6° |
| C12 | C13 | C16 | 120.1° | 119.6° |
| C12 | C13 | O14 | 123.5° | 120.2° |
| C12 | C19 | C18 | 122.0° | 119.6° |
| C12 | C19 | N20 | 108.3° | 107.4° |
| C16 | C13 | O14 | 116.4° | 120.2° |
| C13 | C16 | C17 | 121.2° | 120.4° |
| C13 | C16 | H161 | 119.4° | 119.8° |
| C13 | O14 | C15 | 118.6° | 117.0° |
| O14 | C15 | H153 | 109.5° | 109.5° |
| O14 | C15 | H151 | 109.4° | 109.5° |
| O14 | C15 | H152 | 109.5° | 109.5° |
| C16 | C17 | C18 | 119.0° | 120.8° |
| C17 | C16 | H161 | 119.4° | 119.8° |
| C16 | C17 | H171 | 120.5° | 119.6° |
| C17 | C18 | C19 | 119.7° | 120.1° |
| C18 | C17 | H171 | 120.5° | 119.6° |
| C17 | C18 | H181 | 120.2° | 120.0° |
| C18 | C19 | N20 | 129.7° | 133.0° |
| C19 | C18 | H181 | 120.1° | 119.9° |
| C19 | N20 | H201 | 124.3° | 125.7° |
| C24 | C23 | C31 | 111.7° | 109.5° |
| C24 | C23 | N22 | 108.6° | 109.5° |
| C23 | C24 | C25 | 114.3° | 109.5° |
| C24 | C23 | H231 | 109.5° | 109.4° |
| C23 | C24 | H242 | 108.3° | 109.5° |
| C23 | C24 | H241 | 108.2° | 109.5° |
| C31 | C23 | N22 | 106.1° | 109.5° |
| C23 | C31 | N32 | 122.0° | 120.0° |
| C31 | C23 | H231 | 110.2° | 109.5° |
| C23 | C31 | H311 | 119.0° | 120.0° |
| N22 | C23 | H231 | 110.7° | 109.5° |
| C23 | N22 | H221 | 118.7° | 120.0° |
| C24 | C25 | C29 | 111.4° | 110.5° |
| C25 | C24 | H242 | 108.3° | 109.4° |
| C25 | C24 | H241 | 108.3° | 109.5° |
| C24 | C25 | H251 | 109.9° | 110.4° |
| C24 | C25 | C26 | 107.5° | 110.5° |
| C25 | C29 | N28 | 107.9° | 110.1° |
| C25 | C29 | O30 | 128.8° | 124.9° |
| C29 | C25 | H251 | 113.9° | 110.5° |
| C29 | C25 | C26 | 105.6° | 104.2° |
| C26 | C27 | N28 | 105.9° | 105.4° |
| C27 | C26 | H262 | 110.1° | 111.0° |
| C27 | C26 | H2 | 110.1° | 111.0° |
| C26 | C27 | H271 | 110.4° | 110.3° |
| C26 | C27 | H272 | 110.3° | 110.2° |
| C27 | C26 | C25 | 106.8° | 101.8° |
| C27 | N28 | C29 | 104.0° | 111.3° |
| N28 | C27 | H271 | 110.4° | 110.3° |
| N28 | C27 | H272 | 110.4° | 110.2° |
| C27 | N28 | H281 | 128.0° | 124.3° |
| N28 | C29 | O30 | 123.3° | 124.9° |
| C29 | N28 | H281 | 128.0° | 124.4° |
| N32 | C31 | H311 | 119.0° | 120.0° |
| C31 | N32 | H321 | 112.0° | 120.0° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H062 | C06 | H061 | 109.5° | 109.5° |
| H062 | C06 | H063 | 109.4° | 109.4° |
| H061 | C06 | H063 | 109.5° | 109.4° |
| H072 | C07 | H073 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.4° | 109.4° |
| H073 | C07 | H071 | 109.5° | 109.4° |
| H153 | C15 | H151 | 109.4° | 109.5° |
| H153 | C15 | H152 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H242 | C24 | H241 | 109.4° | 109.5° |
| H251 | C25 | C26 | 108.1° | 110.6° |
| H262 | C26 | H2 | 109.5° | 110.9° |
| H262 | C26 | C25 | 110.1° | 110.9° |
| H2 | C26 | C25 | 110.2° | 110.9° |
| H271 | C27 | H272 | 109.4° | 110.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C03 | C02 | N22 | O01 | 177.2° | 179.6° |
| C02 | C03 | C04 | N08 | 120.2° | 120.0° |
| C02 | C03 | C04 | H031 | 119.3° | 120.0° |
| C02 | C03 | N08 | H031 | 121.5° | 119.9° |
| C02 | C03 | C04 | C05 | 173.1° | 65.3° |
| C02 | C03 | N08 | C09 | 66.1° | 158.5° |
| C03 | C02 | N22 | C23 | 178.6° | 175.4° |
| C02 | C03 | C04 | H041 | 66.0° | 174.7° |
| C02 | C03 | C04 | H042 | 52.1° | 54.7° |
| C02 | C03 | N08 | H081 | 114.0° | 21.5° |
| C03 | C02 | N22 | H221 | 1.4° | 4.6° |
| N22 | C02 | C03 | C04 | 101.7° | 78.7° |
| N22 | C02 | C03 | N08 | 140.2° | 161.3° |
| C02 | N22 | C23 | C24 | 116.5° | 155.0° |
| C02 | N22 | C23 | C31 | 123.3° | 85.0° |
| C02 | N22 | C23 | H221 | 180.0° | 179.9° |
| N22 | C02 | C03 | H031 | 17.7° | 41.3° |
| C02 | N22 | C23 | H231 | 3.7° | 35.0° |
| O01 | C02 | C03 | C04 | 75.3° | 100.9° |
| O01 | C02 | C03 | N08 | 42.7° | 19.1° |
| O01 | C02 | N22 | C23 | 1.5° | 5.0° |
| O01 | C02 | C03 | H031 | 165.2° | 139.1° |
| O01 | C02 | N22 | H221 | 178.6° | 175.0° |
| C04 | C03 | N08 | H031 | 119.5° | 120.0° |
| C03 | C04 | C05 | H041 | 120.9° | 120.0° |
| C03 | C04 | C05 | H042 | 120.9° | 119.9° |
| C03 | C04 | C05 | C06 | 69.0° | 66.8° |
| C03 | C04 | C05 | C07 | 163.7° | 173.2° |
| C04 | C03 | N08 | C09 | 175.0° | 81.5° |
| C03 | C04 | H041 | H042 | 116.9° | 119.9° |
| C03 | C04 | C05 | H051 | 45.5° | 53.2° |
| C04 | C03 | N08 | H081 | 5.0° | 98.5° |
| N08 | C03 | C04 | C05 | 66.8° | 174.7° |
| C03 | N08 | C09 | C10 | 176.9° | 175.0° |
| C03 | N08 | C09 | H081 | 180.0° | 180.0° |
| C03 | N08 | C09 | O21 | 3.1° | 5.1° |
| N08 | C03 | C04 | H041 | 54.2° | 54.6° |
| N08 | C03 | C04 | H042 | 172.2° | 65.3° |
| C04 | C05 | C06 | C07 | 127.4° | 120.0° |
| C04 | C05 | C06 | H051 | 114.1° | 120.0° |
| C04 | C05 | C07 | H051 | 117.8° | 120.0° |
| C05 | C04 | C03 | H031 | 53.8° | 54.7° |
| C05 | C04 | H041 | H042 | 117.0° | 120.0° |
| C04 | C05 | C06 | H062 | 180.0° | 55.8° |
| C04 | C05 | C06 | H061 | 60.0° | 64.3° |
| C04 | C05 | C06 | H063 | 60.0° | 175.7° |
| C04 | C05 | C07 | H072 | 180.0° | 60.0° |
| C04 | C05 | C07 | H073 | 60.0° | 180.0° |
| C04 | C05 | C07 | H071 | 60.0° | 60.0° |
| C06 | C05 | C07 | H051 | 118.5° | 120.0° |
| C06 | C05 | C04 | H041 | 170.0° | 53.2° |
| C06 | C05 | C04 | H042 | 51.9° | 173.2° |
| C05 | C06 | H062 | H061 | 120.0° | 120.1° |
| C05 | C06 | H062 | H063 | 120.0° | 120.0° |
| C05 | C06 | H061 | H063 | 120.0° | 120.0° |
| C06 | C05 | C07 | H072 | 56.4° | 180.0° |
| C06 | C05 | C07 | H073 | 176.4° | 60.0° |
| C06 | C05 | C07 | H071 | 63.6° | 60.0° |
| C07 | C05 | C04 | H041 | 42.7° | 66.8° |
| C07 | C05 | C04 | H042 | 75.4° | 53.2° |
| C07 | C05 | C06 | H062 | 52.6° | 175.8° |
| C07 | C05 | C06 | H061 | 67.4° | 55.7° |
| C07 | C05 | C06 | H063 | 172.6° | 64.3° |
| C05 | C07 | H072 | H073 | 120.0° | 120.0° |
| C05 | C07 | H072 | H071 | 120.0° | 120.0° |
| C05 | C07 | H073 | H071 | 120.0° | 120.0° |
| C10 | C09 | N08 | O21 | 173.9° | 180.0° |
| C09 | C10 | C11 | N20 | 176.3° | 179.7° |
| C09 | C10 | C11 | C12 | 177.1° | 180.0° |
| C09 | C10 | N20 | C19 | 177.5° | 179.8° |
| C09 | C10 | C11 | H111 | 3.0° | 0.0° |
| C10 | C09 | N08 | H081 | 3.0° | 5.0° |
| C09 | C10 | N20 | H201 | 2.5° | 0.0° |
| N08 | C09 | C10 | C11 | 14.8° | 180.0° |
| N08 | C09 | C10 | N20 | 169.4° | 0.3° |
| C09 | N08 | C03 | H031 | 55.4° | 38.6° |
| O21 | C09 | C10 | C11 | 158.9° | 0.0° |
| O21 | C09 | C10 | N20 | 16.9° | 179.6° |
| O21 | C09 | N08 | H081 | 176.9° | 174.9° |
| C10 | C11 | C12 | H111 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 178.2° | 180.0° |
| C10 | C11 | C12 | C19 | 0.5° | 0.0° |
| C11 | C10 | N20 | C19 | 0.8° | 0.4° |
| C11 | C10 | N20 | H201 | 179.2° | 179.7° |
| N20 | C10 | C11 | C12 | 0.8° | 0.3° |
| C10 | N20 | C19 | C12 | 0.5° | 0.4° |
| C10 | N20 | C19 | C18 | 179.0° | 179.8° |
| C10 | N20 | C19 | H201 | 180.0° | 179.8° |
| N20 | C10 | C11 | H111 | 179.2° | 179.7° |
| C11 | C12 | C13 | C19 | 178.5° | 180.0° |
| C11 | C12 | C13 | C16 | 179.9° | 180.0° |
| C11 | C12 | C13 | O14 | 2.7° | 0.0° |
| C11 | C12 | C19 | C18 | 179.6° | 179.9° |
| C11 | C12 | C19 | N20 | 0.0° | 0.3° |
| C12 | C13 | C16 | O14 | 177.4° | 179.9° |
| C12 | C13 | O14 | C15 | 37.4° | 180.0° |
| C12 | C13 | C16 | C17 | 1.5° | 0.0° |
| C13 | C12 | C19 | C18 | 0.6° | 0.0° |
| C13 | C12 | C19 | N20 | 178.9° | 179.8° |
| C13 | C12 | C11 | H111 | 1.8° | 0.1° |
| C12 | C13 | C16 | H161 | 178.5° | 179.9° |
| C19 | C12 | C13 | C16 | 1.6° | 0.0° |
| C19 | C12 | C13 | O14 | 178.8° | 180.0° |
| C12 | C19 | C18 | C17 | 0.4° | 0.1° |
| C12 | C19 | C18 | N20 | 179.5° | 179.7° |
| C19 | C12 | C11 | H111 | 179.5° | 180.0° |
| C12 | C19 | C18 | H181 | 179.6° | 179.9° |
| C12 | C19 | N20 | H201 | 179.5° | 179.7° |
| C16 | C13 | O14 | C15 | 145.2° | 0.0° |
| C13 | C16 | C17 | H161 | 180.0° | 180.0° |
| C13 | C16 | C17 | C18 | 0.5° | 0.0° |
| C13 | C16 | C17 | H171 | 179.5° | 180.0° |
| O14 | C13 | C16 | C17 | 178.9° | 180.0° |
| C13 | O14 | C15 | H153 | 180.0° | 60.0° |
| C13 | O14 | C15 | H151 | 60.0° | 60.0° |
| C13 | O14 | C15 | H152 | 60.0° | 180.0° |
| O14 | C13 | C16 | H161 | 1.1° | 0.0° |
| O14 | C15 | H153 | H151 | 120.0° | 120.0° |
| O14 | C15 | H153 | H152 | 120.0° | 120.0° |
| O14 | C15 | H151 | H152 | 120.0° | 120.0° |
| C16 | C17 | C18 | H171 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.5° | 0.1° |
| C16 | C17 | C18 | H181 | 179.5° | 179.9° |
| C17 | C18 | C19 | H181 | 180.0° | 180.0° |
| C17 | C18 | C19 | N20 | 179.9° | 179.6° |
| C18 | C17 | C16 | H161 | 179.5° | 180.0° |
| C19 | C18 | C17 | H171 | 179.5° | 180.0° |
| C18 | C19 | N20 | H201 | 1.0° | 0.0° |
| N20 | C19 | C18 | H181 | 0.1° | 0.3° |
| C24 | C23 | C31 | N22 | 118.2° | 120.1° |
| C24 | C23 | C31 | H231 | 122.0° | 119.9° |
| C24 | C23 | N22 | H231 | 120.2° | 120.0° |
| C23 | C24 | C25 | H242 | 120.7° | 120.0° |
| C23 | C24 | C25 | H241 | 120.7° | 120.0° |
| C23 | C24 | C25 | C29 | 172.4° | 66.4° |
| C24 | C23 | C31 | N32 | 109.1° | 120.0° |
| C23 | C24 | H242 | H241 | 117.8° | 120.1° |
| C23 | C24 | C25 | H251 | 60.3° | 56.1° |
| C24 | C23 | C31 | H311 | 70.9° | 59.9° |
| C24 | C23 | N22 | H221 | 63.5° | 25.0° |
| C23 | C24 | C25 | C26 | 57.2° | 178.8° |
| C31 | C23 | N22 | H231 | 119.5° | 120.0° |
| C31 | C23 | C24 | C25 | 164.7° | 175.0° |
| C23 | C31 | N32 | H311 | 180.0° | 180.0° |
| C31 | C23 | C24 | H242 | 74.6° | 65.0° |
| C31 | C23 | C24 | H241 | 44.0° | 55.0° |
| C31 | C23 | N22 | H221 | 56.7° | 95.1° |
| C23 | C31 | N32 | H321 | 180.0° | 180.0° |
| N22 | C23 | C24 | C25 | 78.6° | 65.0° |
| N22 | C23 | C31 | N32 | 132.7° | 0.0° |
| N22 | C23 | C24 | H242 | 42.1° | 55.0° |
| N22 | C23 | C24 | H241 | 160.7° | 175.0° |
| N22 | C23 | C31 | H311 | 47.3° | 180.0° |
| C24 | C25 | C29 | H251 | 125.1° | 122.5° |
| C24 | C25 | C29 | C26 | 116.5° | 118.7° |
| C24 | C25 | C26 | C27 | 150.6° | 93.9° |
| C24 | C25 | C29 | N28 | 132.0° | 102.4° |
| C24 | C25 | C29 | O30 | 49.5° | 77.6° |
| C25 | C24 | C23 | H231 | 42.3° | 55.0° |
| C25 | C24 | H242 | H241 | 117.8° | 120.0° |
| C24 | C25 | H251 | C26 | 117.1° | 122.6° |
| C24 | C25 | C26 | H262 | 89.8° | 24.3° |
| C24 | C25 | C26 | H2 | 31.0° | 148.0° |
| C29 | C25 | C26 | C27 | 31.5° | 24.8° |
| C25 | C29 | N28 | C27 | 0.2° | 0.4° |
| C25 | C29 | N28 | O30 | 178.6° | 180.0° |
| C29 | C25 | C24 | H242 | 66.8° | 53.6° |
| C29 | C25 | C24 | H241 | 51.7° | 173.5° |
| C29 | C25 | H251 | C26 | 117.0° | 114.8° |
| C29 | C25 | C26 | H262 | 151.1° | 143.0° |
| C29 | C25 | C26 | H2 | 88.0° | 93.4° |
| C25 | C29 | N28 | H281 | 179.8° | 179.6° |
| C26 | C27 | N28 | H271 | 119.5° | 119.0° |
| C26 | C27 | N28 | H272 | 119.4° | 119.0° |
| C26 | C27 | N28 | C29 | 21.4° | 17.1° |
| C27 | C26 | C25 | H251 | 90.7° | 143.5° |
| C27 | C26 | H262 | H2 | 121.2° | 123.9° |
| C27 | C26 | H262 | C25 | 117.5° | 112.4° |
| C27 | C26 | H2 | C25 | 117.6° | 112.4° |
| C26 | C27 | H271 | H272 | 121.6° | 122.0° |
| C26 | C27 | N28 | H281 | 158.6° | 163.0° |
| C27 | N28 | C29 | H281 | 180.0° | 179.9° |
| C27 | N28 | C29 | O30 | 178.4° | 179.6° |
| N28 | C27 | C26 | H262 | 149.5° | 143.5° |
| N28 | C27 | C26 | H2 | 89.7° | 92.7° |
| N28 | C27 | H271 | H272 | 121.6° | 122.0° |
| N28 | C27 | C26 | C25 | 29.9° | 25.4° |
| N28 | C29 | C25 | H251 | 102.9° | 135.1° |
| C29 | N28 | C27 | H271 | 140.9° | 101.9° |
| C29 | N28 | C27 | H272 | 98.0° | 136.0° |
| N28 | C29 | C25 | C26 | 15.5° | 16.2° |
| O30 | C29 | C25 | H251 | 75.6° | 44.9° |
| O30 | C29 | N28 | H281 | 1.6° | 0.4° |
| O30 | C29 | C25 | C26 | 166.0° | 163.7° |
| N32 | C31 | C23 | H231 | 12.8° | 120.0° |
| H031 | C03 | C04 | H041 | 174.8° | 65.4° |
| H031 | C03 | C04 | H042 | 67.2° | 174.6° |
| H031 | C03 | N08 | H081 | 124.6° | 141.5° |
| H041 | C04 | C05 | H051 | 75.5° | 173.2° |
| H042 | C04 | C05 | H051 | 166.4° | 66.8° |
| H051 | C05 | C06 | H062 | 65.9° | 64.2° |
| H051 | C05 | C06 | H061 | 174.0° | 175.8° |
| H051 | C05 | C06 | H063 | 54.1° | 55.8° |
| H051 | C05 | C07 | H072 | 62.2° | 60.0° |
| H051 | C05 | C07 | H073 | 57.9° | 60.0° |
| H051 | C05 | C07 | H071 | 177.9° | 180.0° |
| H062 | C06 | H061 | H063 | 119.9° | 119.9° |
| H072 | C07 | H073 | H071 | 120.0° | 119.9° |
| H153 | C15 | H151 | H152 | 120.0° | 120.0° |
| H161 | C16 | C17 | H171 | 0.4° | 0.0° |
| H171 | C17 | C18 | H181 | 0.5° | 0.0° |
| H231 | C23 | C24 | H242 | 163.0° | 175.0° |
| H231 | C23 | C24 | H241 | 78.4° | 65.0° |
| H231 | C23 | C31 | H311 | 167.2° | 60.0° |
| H231 | C23 | N22 | H221 | 176.3° | 144.9° |
| H242 | C24 | C25 | H251 | 60.4° | 176.1° |
| H242 | C24 | C25 | C26 | 177.9° | 61.2° |
| H241 | C24 | C25 | H251 | 179.0° | 63.9° |
| H241 | C24 | C25 | C26 | 63.5° | 58.8° |
| H251 | C25 | C26 | H262 | 28.9° | 98.3° |
| H251 | C25 | C26 | H2 | 149.7° | 25.4° |
| H262 | C26 | H2 | C25 | 121.2° | 123.7° |
| H262 | C26 | C27 | H271 | 91.0° | 24.5° |
| H262 | C26 | C27 | H272 | 30.1° | 97.5° |
| H2 | C26 | C27 | H271 | 29.8° | 148.3° |
| H2 | C26 | C27 | H272 | 150.9° | 26.3° |
| H271 | C27 | N28 | H281 | 39.1° | 78.0° |
| H271 | C27 | C26 | C25 | 149.4° | 93.6° |
| H272 | C27 | N28 | H281 | 82.0° | 44.0° |
| H272 | C27 | C26 | C25 | 89.5° | 144.4° |
| H311 | C31 | N32 | H321 | 0.0° | 0.0° |
