A1ALV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.22Å | 1.21Å | |
| C04 | N03 | sing | 1.47Å | 1.44Å | |
| C06 | C05 | sing | 1.53Å | 1.52Å | |
| C07 | C06 | sing | 1.53Å | 1.52Å | |
| C08 | C06 | sing | 1.53Å | 1.56Å | |
| C05 | C04 | sing | 1.53Å | 1.54Å | |
| C09 | C04 | sing | 1.51Å | 1.52Å | |
| C11 | N10 | sing | 1.47Å | 1.48Å | |
| C13 | C12 | sing | 1.53Å | 1.55Å | |
| C14 | C13 | sing | 1.51Å | 1.62Å | |
| C16 | N15 | sing | 1.47Å | 1.60Å | |
| C17 | C16 | sing | 1.55Å | 1.57Å | |
| N15 | C14 | sing | 1.34Å | 1.37Å | |
| O18 | C14 | doub | 1.21Å | 1.19Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C19 | C11 | sing | 1.51Å | 1.52Å | |
| N20 | C19 | doub | 1.28Å | 1.27Å | |
| N10 | C09 | sing | 1.35Å | 1.48Å | |
| O21 | C09 | doub | 1.21Å | 1.20Å | |
| N03 | C02 | sing | 1.35Å | 1.46Å | |
| C22 | C02 | sing | 1.48Å | 1.56Å | |
| C23 | C22 | doub | 1.40Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | doub | 1.40Å | 1.41Å | Aromatic |
| C27 | C26 | doub | 1.39Å | 1.38Å | Aromatic |
| C28 | C27 | sing | 1.40Å | 1.44Å | Aromatic |
| C29 | C28 | doub | 1.41Å | 1.37Å | Aromatic |
| C32 | N31 | doub | 1.30Å | 1.33Å | Aromatic |
| N31 | N30 | sing | 1.40Å | 1.32Å | Aromatic |
| C33 | N30 | sing | 1.46Å | 1.47Å | |
| N30 | C29 | sing | 1.37Å | 1.37Å | Aromatic |
| C34 | C29 | sing | 1.39Å | 1.41Å | Aromatic |
| C35 | C34 | doub | 1.36Å | 1.40Å | Aromatic |
| C26 | C25 | sing | 1.48Å | 1.55Å | |
| C36 | C25 | sing | 1.39Å | 1.37Å | Aromatic |
| C37 | C36 | doub | 1.38Å | 1.42Å | Aromatic |
| F38 | C37 | sing | 1.35Å | 1.37Å | |
| C13 | C17 | sing | 1.55Å | 1.36Å | |
| C22 | C37 | sing | 1.40Å | 1.38Å | Aromatic |
| C26 | C35 | sing | 1.40Å | 1.41Å | Aromatic |
| C28 | C32 | sing | 1.46Å | 1.44Å | Aromatic |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | 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 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H073 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | 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 | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| N20 | H201 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N03 | 120.9° | 120.1° |
| O01 | C02 | C22 | 121.3° | 120.0° |
| N03 | C04 | C05 | 107.4° | 109.5° |
| N03 | C04 | C09 | 109.3° | 109.4° |
| C04 | N03 | C02 | 120.2° | 119.9° |
| N03 | C04 | H041 | 110.0° | 109.5° |
| C04 | N03 | H031 | 119.9° | 120.1° |
| C05 | C06 | C07 | 109.1° | 109.5° |
| C05 | C06 | C08 | 110.8° | 109.5° |
| C06 | C05 | C04 | 110.4° | 109.5° |
| C06 | C05 | H051 | 109.3° | 109.4° |
| C06 | C05 | H052 | 109.2° | 109.5° |
| C05 | C06 | H061 | 108.9° | 109.4° |
| C07 | C06 | C08 | 110.7° | 109.5° |
| C07 | C06 | H061 | 108.9° | 109.5° |
| C06 | C07 | H071 | 109.5° | 109.4° |
| C06 | C07 | H072 | 109.5° | 109.4° |
| C06 | C07 | H073 | 109.5° | 109.5° |
| C08 | C06 | H061 | 108.4° | 109.5° |
| C06 | C08 | H081 | 109.5° | 109.4° |
| C06 | C08 | H082 | 109.5° | 109.5° |
| C06 | C08 | H083 | 109.4° | 109.5° |
| C05 | C04 | C09 | 112.6° | 109.5° |
| C05 | C04 | H041 | 108.6° | 109.5° |
| C04 | C05 | H051 | 109.2° | 109.5° |
| C04 | C05 | H052 | 109.2° | 109.5° |
| C04 | C09 | N10 | 117.7° | 120.0° |
| C04 | C09 | O21 | 120.8° | 120.0° |
| C09 | C04 | H041 | 108.9° | 109.5° |
| N10 | C11 | C12 | 109.5° | 109.5° |
| N10 | C11 | C19 | 111.9° | 109.5° |
| C11 | N10 | C09 | 121.4° | 120.0° |
| N10 | C11 | H111 | 109.7° | 109.4° |
| C11 | N10 | H101 | 119.3° | 120.0° |
| C12 | C13 | C14 | 109.4° | 110.5° |
| C13 | C12 | C11 | 111.0° | 109.4° |
| C12 | C13 | C17 | 109.5° | 110.5° |
| C12 | C13 | H131 | 109.5° | 110.5° |
| C13 | C12 | H122 | 109.1° | 109.5° |
| C13 | C12 | H121 | 109.1° | 109.5° |
| C13 | C14 | N15 | 108.3° | 110.2° |
| C13 | C14 | O18 | 126.2° | 124.9° |
| C14 | C13 | C17 | 107.3° | 104.2° |
| C14 | C13 | H131 | 108.7° | 110.6° |
| N15 | C16 | C17 | 103.9° | 105.5° |
| C16 | N15 | C14 | 106.2° | 111.3° |
| N15 | C16 | H161 | 110.8° | 110.2° |
| N15 | C16 | H162 | 110.8° | 110.2° |
| C16 | N15 | H151 | 126.9° | 124.3° |
| C16 | C17 | C13 | 104.9° | 101.8° |
| C16 | C17 | H172 | 110.6° | 110.9° |
| C16 | C17 | H171 | 110.6° | 111.0° |
| C17 | C16 | H161 | 110.8° | 110.2° |
| C17 | C16 | H162 | 110.8° | 110.3° |
| N15 | C14 | O18 | 125.5° | 124.9° |
| C14 | N15 | H151 | 126.9° | 124.4° |
| C12 | C11 | C19 | 107.5° | 109.5° |
| C12 | C11 | H111 | 109.1° | 109.5° |
| C11 | C12 | H122 | 109.1° | 109.4° |
| C11 | C12 | H121 | 109.1° | 109.5° |
| C11 | C19 | N20 | 120.5° | 120.0° |
| C19 | C11 | H111 | 109.1° | 109.4° |
| C11 | C19 | H191 | 119.8° | 120.0° |
| N20 | C19 | H191 | 119.7° | 120.0° |
| C19 | N20 | H201 | 112.0° | 120.0° |
| N10 | C09 | O21 | 121.4° | 120.0° |
| C09 | N10 | H101 | 119.3° | 120.0° |
| N03 | C02 | C22 | 117.8° | 120.0° |
| C02 | N03 | H031 | 119.9° | 120.0° |
| C02 | C22 | C23 | 119.6° | 120.0° |
| C02 | C22 | C37 | 119.0° | 120.1° |
| C22 | C23 | C24 | 118.8° | 120.0° |
| C23 | C22 | C37 | 121.4° | 119.9° |
| C22 | C23 | H231 | 120.6° | 120.0° |
| C23 | C24 | C25 | 119.9° | 120.1° |
| C23 | C24 | H241 | 120.1° | 119.9° |
| C24 | C23 | H231 | 120.6° | 120.0° |
| C24 | C25 | C26 | 119.2° | 119.9° |
| C24 | C25 | C36 | 121.1° | 120.1° |
| C25 | C24 | H241 | 120.0° | 120.0° |
| C26 | C27 | C28 | 119.2° | 119.4° |
| C27 | C26 | C25 | 120.9° | 119.9° |
| C27 | C26 | C35 | 120.5° | 120.2° |
| C26 | C27 | H271 | 120.4° | 120.3° |
| C27 | C28 | C29 | 120.4° | 119.8° |
| C27 | C28 | C32 | 134.8° | 133.9° |
| C28 | C27 | H271 | 120.4° | 120.3° |
| C28 | C29 | N30 | 107.4° | 106.7° |
| C28 | C29 | C34 | 120.3° | 119.7° |
| C29 | C28 | C32 | 104.8° | 106.4° |
| C32 | N31 | N30 | 108.2° | 110.1° |
| N31 | C32 | C28 | 108.7° | 107.7° |
| N31 | C32 | H321 | 125.7° | 126.2° |
| N31 | N30 | C33 | 124.7° | 125.4° |
| N31 | N30 | C29 | 110.9° | 109.1° |
| C33 | N30 | C29 | 124.4° | 125.5° |
| N30 | C33 | H333 | 109.5° | 109.5° |
| N30 | C33 | H332 | 109.5° | 109.4° |
| N30 | C33 | H331 | 109.5° | 109.5° |
| N30 | C29 | C34 | 132.3° | 133.6° |
| C29 | C34 | C35 | 119.5° | 120.2° |
| C29 | C34 | H341 | 120.2° | 119.9° |
| C34 | C35 | C26 | 120.1° | 120.7° |
| C35 | C34 | H341 | 120.3° | 119.9° |
| C34 | C35 | H351 | 120.0° | 119.6° |
| C26 | C25 | C36 | 119.6° | 120.0° |
| C25 | C26 | C35 | 118.6° | 119.9° |
| C25 | C36 | C37 | 119.1° | 120.0° |
| C25 | C36 | H361 | 120.5° | 120.0° |
| C36 | C37 | F38 | 121.1° | 120.1° |
| C36 | C37 | C22 | 119.7° | 119.9° |
| C37 | C36 | H361 | 120.5° | 120.0° |
| F38 | C37 | C22 | 119.2° | 120.0° |
| C17 | C13 | H131 | 112.5° | 110.5° |
| C13 | C17 | H172 | 110.6° | 111.0° |
| C13 | C17 | H171 | 110.6° | 111.0° |
| C26 | C35 | H351 | 120.0° | 119.7° |
| C28 | C32 | H321 | 125.6° | 126.1° |
| H172 | C17 | H171 | 109.5° | 110.9° |
| H051 | C05 | H052 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H071 | C07 | H073 | 109.5° | 109.5° |
| H072 | C07 | H073 | 109.4° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.4° |
| H081 | C08 | H083 | 109.5° | 109.5° |
| H082 | C08 | H083 | 109.5° | 109.5° |
| H122 | C12 | H121 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 110.3° |
| H333 | C33 | H332 | 109.4° | 109.5° |
| H333 | C33 | H331 | 109.4° | 109.5° |
| H332 | C33 | H331 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N03 | C04 | 1.3° | 4.8° |
| O01 | C02 | N03 | C22 | 179.4° | 180.0° |
| O01 | C02 | C22 | C23 | 140.6° | 179.7° |
| O01 | C02 | C22 | C37 | 39.4° | 0.0° |
| O01 | C02 | N03 | H031 | 178.7° | 175.2° |
| N03 | C04 | C05 | C06 | 69.5° | 173.6° |
| N03 | C04 | C05 | C09 | 120.4° | 119.9° |
| N03 | C04 | C05 | H041 | 119.0° | 120.0° |
| N03 | C04 | C09 | H041 | 120.2° | 120.0° |
| N03 | C04 | C09 | N10 | 131.3° | 166.7° |
| N03 | C04 | C09 | O21 | 46.6° | 13.3° |
| C04 | N03 | C02 | H031 | 180.0° | 180.0° |
| C04 | N03 | C02 | C22 | 179.4° | 175.2° |
| N03 | C04 | C05 | H051 | 170.3° | 53.7° |
| N03 | C04 | C05 | H052 | 50.6° | 66.4° |
| C05 | C06 | C07 | C08 | 122.2° | 120.0° |
| C05 | C06 | C07 | H061 | 118.7° | 120.0° |
| C05 | C06 | C08 | H061 | 119.4° | 120.0° |
| C06 | C05 | C04 | H051 | 120.1° | 120.0° |
| C06 | C05 | C04 | H052 | 120.1° | 120.0° |
| C06 | C05 | C04 | C09 | 170.1° | 66.4° |
| C06 | C05 | C04 | H041 | 49.4° | 53.6° |
| C06 | C05 | H051 | H052 | 119.6° | 120.0° |
| C05 | C06 | C07 | H071 | 180.0° | 63.5° |
| C05 | C06 | C07 | H072 | 60.0° | 176.5° |
| C05 | C06 | C07 | H073 | 60.0° | 56.5° |
| C05 | C06 | C08 | H081 | 180.0° | 60.0° |
| C05 | C06 | C08 | H082 | 60.0° | 179.9° |
| C05 | C06 | C08 | H083 | 60.0° | 60.0° |
| C07 | C06 | C08 | H061 | 119.4° | 120.0° |
| C07 | C06 | C05 | C04 | 70.0° | 66.1° |
| C07 | C06 | C05 | H051 | 50.1° | 53.9° |
| C07 | C06 | C05 | H052 | 169.9° | 173.9° |
| C06 | C07 | H071 | H072 | 120.0° | 120.0° |
| C06 | C07 | H071 | H073 | 120.0° | 120.0° |
| C06 | C07 | H072 | H073 | 120.0° | 120.0° |
| C07 | C06 | C08 | H081 | 58.8° | 180.0° |
| C07 | C06 | C08 | H082 | 178.8° | 60.1° |
| C07 | C06 | C08 | H083 | 61.2° | 60.0° |
| C08 | C06 | C05 | C04 | 167.9° | 174.0° |
| C08 | C06 | C05 | H051 | 72.0° | 66.1° |
| C08 | C06 | C05 | H052 | 47.7° | 53.9° |
| C08 | C06 | C07 | H071 | 57.8° | 56.5° |
| C08 | C06 | C07 | H072 | 62.2° | 63.5° |
| C08 | C06 | C07 | H073 | 177.8° | 176.5° |
| C06 | C08 | H081 | H082 | 120.0° | 119.9° |
| C06 | C08 | H081 | H083 | 120.0° | 120.0° |
| C06 | C08 | H082 | H083 | 120.0° | 120.0° |
| C05 | C04 | C09 | H041 | 120.5° | 120.0° |
| C05 | C04 | C09 | N10 | 109.4° | 73.4° |
| C05 | C04 | C09 | O21 | 72.6° | 106.7° |
| C05 | C04 | N03 | C02 | 175.9° | 87.4° |
| C04 | C05 | H051 | H052 | 119.6° | 120.0° |
| C04 | C05 | C06 | H061 | 48.7° | 53.9° |
| C05 | C04 | N03 | H031 | 4.1° | 92.6° |
| C04 | C09 | N10 | C11 | 179.5° | 175.3° |
| C04 | C09 | N10 | O21 | 178.0° | 180.0° |
| C09 | C04 | N03 | C02 | 61.6° | 152.6° |
| C09 | C04 | C05 | H051 | 49.9° | 173.6° |
| C09 | C04 | C05 | H052 | 69.8° | 53.6° |
| C09 | C04 | N03 | H031 | 118.3° | 27.4° |
| C04 | C09 | N10 | H101 | 0.5° | 4.8° |
| N10 | C11 | C12 | C13 | 64.8° | 65.2° |
| N10 | C11 | C12 | C19 | 121.7° | 120.0° |
| N10 | C11 | C12 | H111 | 120.1° | 120.0° |
| N10 | C11 | C19 | H111 | 121.6° | 120.0° |
| N10 | C11 | C19 | N20 | 142.5° | 0.0° |
| C11 | N10 | C09 | H101 | 180.0° | 179.9° |
| C11 | N10 | C09 | O21 | 1.6° | 4.7° |
| N10 | C11 | C12 | H122 | 174.9° | 174.8° |
| N10 | C11 | C12 | H121 | 55.4° | 54.8° |
| N10 | C11 | C19 | H191 | 37.5° | 180.0° |
| C12 | C13 | C14 | C17 | 118.7° | 118.7° |
| C12 | C13 | C14 | H131 | 119.5° | 122.6° |
| C12 | C13 | C17 | C16 | 148.4° | 143.4° |
| C12 | C13 | C14 | N15 | 138.5° | 134.9° |
| C12 | C13 | C14 | O18 | 42.1° | 45.2° |
| C13 | C12 | C11 | H122 | 120.2° | 120.0° |
| C13 | C12 | C11 | H121 | 120.2° | 120.0° |
| C13 | C12 | C11 | C19 | 173.5° | 174.8° |
| C12 | C13 | C17 | H131 | 122.0° | 122.6° |
| C12 | C13 | C17 | H172 | 92.4° | 25.4° |
| C12 | C13 | C17 | H171 | 29.1° | 98.4° |
| C13 | C12 | C11 | H111 | 55.3° | 54.8° |
| C13 | C12 | H122 | H121 | 119.3° | 120.0° |
| C13 | C14 | N15 | C16 | 0.2° | 0.4° |
| C14 | C13 | C17 | C16 | 29.8° | 24.8° |
| C13 | C14 | N15 | O18 | 179.4° | 179.9° |
| C14 | C13 | C12 | C11 | 179.8° | 179.4° |
| C14 | C13 | C17 | H131 | 119.5° | 118.8° |
| C14 | C13 | C17 | H172 | 149.0° | 93.3° |
| C14 | C13 | C17 | H171 | 89.5° | 142.9° |
| C14 | C13 | C12 | H122 | 59.6° | 60.6° |
| C14 | C13 | C12 | H121 | 60.0° | 59.4° |
| C13 | C14 | N15 | H151 | 179.8° | 179.6° |
| N15 | C16 | C17 | H161 | 119.1° | 119.0° |
| N15 | C16 | C17 | H162 | 119.1° | 119.0° |
| C16 | N15 | C14 | H151 | 180.0° | 180.0° |
| C16 | N15 | C14 | O18 | 179.2° | 179.5° |
| N15 | C16 | C17 | C13 | 29.8° | 25.4° |
| N15 | C16 | C17 | H172 | 149.0° | 92.7° |
| N15 | C16 | C17 | H171 | 89.5° | 143.5° |
| N15 | C16 | H161 | H162 | 122.6° | 122.0° |
| C17 | C16 | N15 | C14 | 17.1° | 17.0° |
| C16 | C17 | C13 | H172 | 119.3° | 118.1° |
| C16 | C17 | C13 | H171 | 119.3° | 118.2° |
| C16 | C17 | C13 | H131 | 89.7° | 94.0° |
| C16 | C17 | H172 | H171 | 122.2° | 123.8° |
| C17 | C16 | H161 | H162 | 122.6° | 122.0° |
| C17 | C16 | N15 | H151 | 162.9° | 163.0° |
| N15 | C14 | C13 | C17 | 19.8° | 16.3° |
| N15 | C14 | C13 | H131 | 102.0° | 102.4° |
| C14 | N15 | C16 | H161 | 102.0° | 136.0° |
| C14 | N15 | C16 | H162 | 136.2° | 102.0° |
| O18 | C14 | C13 | C17 | 160.8° | 163.8° |
| O18 | C14 | C13 | H131 | 77.4° | 77.4° |
| O18 | C14 | N15 | H151 | 0.8° | 0.5° |
| C12 | C11 | C19 | H111 | 118.1° | 120.0° |
| C12 | C11 | C19 | N20 | 97.3° | 120.0° |
| C12 | C11 | N10 | C09 | 113.8° | 156.2° |
| C11 | C12 | C13 | C17 | 62.5° | 65.8° |
| C11 | C12 | C13 | H131 | 61.2° | 56.7° |
| C11 | C12 | H122 | H121 | 119.3° | 120.0° |
| C12 | C11 | C19 | H191 | 82.7° | 60.0° |
| C12 | C11 | N10 | H101 | 66.2° | 23.8° |
| C11 | C19 | N20 | H191 | 180.0° | 180.0° |
| C19 | C11 | N10 | C09 | 127.2° | 83.8° |
| C19 | C11 | C12 | H122 | 53.2° | 54.7° |
| C19 | C11 | C12 | H121 | 66.3° | 65.2° |
| C19 | C11 | N10 | H101 | 52.8° | 96.2° |
| C11 | C19 | N20 | H201 | 180.0° | 180.0° |
| N20 | C19 | C11 | H111 | 20.8° | 120.0° |
| N10 | C09 | C04 | H041 | 11.1° | 46.7° |
| C09 | N10 | C11 | H111 | 5.9° | 36.2° |
| O21 | C09 | C04 | H041 | 166.8° | 133.3° |
| O21 | C09 | N10 | H101 | 178.4° | 175.2° |
| N03 | C02 | C22 | C23 | 40.0° | 0.2° |
| N03 | C02 | C22 | C37 | 140.0° | 180.0° |
| C02 | N03 | C04 | H041 | 57.8° | 32.6° |
| C02 | C22 | C23 | C37 | 180.0° | 179.7° |
| C02 | C22 | C23 | C24 | 179.6° | 180.0° |
| C02 | C22 | C37 | C36 | 179.9° | 180.0° |
| C02 | C22 | C37 | F38 | 0.3° | 0.1° |
| C02 | C22 | C23 | H231 | 0.4° | 0.0° |
| C22 | C02 | N03 | H031 | 0.6° | 4.8° |
| C22 | C23 | C24 | H231 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 1.0° | 0.0° |
| C23 | C22 | C37 | C36 | 0.1° | 0.3° |
| C23 | C22 | C37 | F38 | 179.7° | 179.7° |
| C22 | C23 | C24 | H241 | 179.0° | 180.0° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 179.8° | 180.0° |
| C23 | C24 | C25 | C36 | 1.1° | 0.3° |
| C24 | C23 | C22 | C37 | 0.4° | 0.3° |
| C24 | C25 | C26 | C27 | 148.0° | 179.7° |
| C24 | C25 | C26 | C36 | 178.7° | 179.7° |
| C24 | C25 | C36 | C37 | 0.5° | 0.3° |
| C24 | C25 | C26 | C35 | 32.9° | 0.0° |
| C25 | C24 | C23 | H231 | 179.0° | 180.0° |
| C24 | C25 | C36 | H361 | 179.4° | 179.7° |
| C26 | C27 | C28 | H271 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 0.1° | 0.1° |
| C27 | C26 | C35 | C34 | 0.4° | 0.3° |
| C27 | C26 | C25 | C35 | 179.1° | 179.7° |
| C27 | C26 | C25 | C36 | 33.3° | 0.5° |
| C26 | C27 | C28 | C32 | 179.6° | 179.9° |
| C27 | C26 | C35 | H351 | 179.6° | 179.8° |
| C27 | C28 | C29 | C32 | 179.7° | 179.9° |
| C27 | C28 | C32 | N31 | 179.8° | 179.9° |
| C27 | C28 | C29 | N30 | 179.8° | 180.0° |
| C27 | C28 | C29 | C34 | 0.4° | 0.3° |
| C28 | C27 | C26 | C25 | 179.5° | 180.0° |
| C28 | C27 | C26 | C35 | 0.4° | 0.3° |
| C27 | C28 | C32 | H321 | 0.2° | 0.1° |
| C29 | C28 | C32 | N31 | 0.1° | 0.0° |
| C28 | C29 | N30 | N31 | 0.0° | 0.1° |
| C28 | C29 | N30 | C33 | 179.9° | 179.9° |
| C28 | C29 | N30 | C34 | 179.8° | 179.6° |
| C28 | C29 | C34 | C35 | 0.4° | 0.3° |
| C29 | C28 | C27 | H271 | 179.9° | 180.0° |
| C29 | C28 | C32 | H321 | 179.9° | 180.0° |
| C28 | C29 | C34 | H341 | 179.6° | 180.0° |
| C32 | N31 | N30 | C33 | 179.9° | 179.9° |
| C32 | N31 | N30 | C29 | 0.0° | 0.0° |
| N31 | C32 | C28 | H321 | 180.0° | 180.0° |
| N31 | N30 | C33 | C29 | 179.9° | 179.9° |
| N31 | N30 | C29 | C34 | 179.8° | 179.7° |
| N30 | N31 | C32 | C28 | 0.1° | 0.0° |
| N30 | N31 | C32 | H321 | 179.9° | 180.0° |
| N31 | N30 | C33 | H333 | 0.0° | 89.9° |
| N31 | N30 | C33 | H332 | 120.0° | 30.1° |
| N31 | N30 | C33 | H331 | 120.0° | 150.1° |
| C33 | N30 | C29 | C34 | 0.1° | 0.4° |
| N30 | C33 | H333 | H332 | 120.0° | 120.0° |
| N30 | C33 | H333 | H331 | 120.0° | 120.0° |
| N30 | C33 | H332 | H331 | 120.0° | 120.0° |
| N30 | C29 | C34 | C35 | 179.8° | 179.9° |
| N30 | C29 | C28 | C32 | 0.1° | 0.1° |
| C29 | N30 | C33 | H333 | 179.9° | 90.0° |
| C29 | N30 | C33 | H332 | 59.9° | 150.0° |
| C29 | N30 | C33 | H331 | 60.1° | 30.1° |
| N30 | C29 | C34 | H341 | 0.2° | 0.4° |
| C29 | C34 | C35 | H341 | 180.0° | 179.7° |
| C29 | C34 | C35 | C26 | 0.1° | 0.0° |
| C34 | C29 | C28 | C32 | 179.9° | 179.7° |
| C29 | C34 | C35 | H351 | 180.0° | 179.9° |
| C34 | C35 | C26 | C25 | 179.4° | 180.0° |
| C34 | C35 | C26 | H351 | 180.0° | 179.9° |
| C26 | C25 | C36 | C37 | 179.3° | 180.0° |
| C26 | C25 | C24 | H241 | 0.2° | 0.0° |
| C25 | C26 | C27 | H271 | 0.5° | 0.0° |
| C25 | C26 | C35 | H351 | 0.5° | 0.0° |
| C26 | C25 | C36 | H361 | 0.7° | 0.0° |
| C25 | C36 | C37 | H361 | 180.0° | 180.0° |
| C25 | C36 | C37 | F38 | 179.8° | 180.0° |
| C25 | C36 | C37 | C22 | 0.0° | 0.0° |
| C36 | C25 | C26 | C35 | 145.8° | 179.7° |
| C36 | C25 | C24 | H241 | 179.0° | 179.7° |
| C36 | C37 | F38 | C22 | 179.8° | 180.0° |
| F38 | C37 | C36 | H361 | 0.2° | 0.0° |
| C13 | C17 | H172 | H171 | 122.1° | 123.8° |
| C17 | C13 | C12 | H122 | 57.7° | 54.1° |
| C17 | C13 | C12 | H121 | 177.3° | 174.2° |
| C13 | C17 | C16 | H161 | 89.4° | 144.4° |
| C13 | C17 | C16 | H162 | 148.9° | 93.6° |
| C37 | C22 | C23 | H231 | 179.6° | 179.7° |
| C22 | C37 | C36 | H361 | 180.0° | 180.0° |
| C35 | C26 | C27 | H271 | 179.6° | 179.7° |
| C26 | C35 | C34 | H341 | 179.9° | 179.7° |
| C32 | C28 | C27 | H271 | 0.4° | 0.1° |
| H131 | C13 | C17 | H172 | 29.6° | 148.0° |
| H131 | C13 | C17 | H171 | 151.0° | 24.2° |
| H131 | C13 | C12 | H122 | 178.5° | 176.7° |
| H131 | C13 | C12 | H121 | 59.0° | 63.2° |
| H172 | C17 | C16 | H161 | 29.9° | 26.3° |
| H172 | C17 | C16 | H162 | 91.9° | 148.3° |
| H171 | C17 | C16 | H161 | 151.4° | 97.5° |
| H171 | C17 | C16 | H162 | 29.6° | 24.6° |
| H241 | C24 | C23 | H231 | 1.0° | 0.0° |
| H041 | C04 | C05 | H051 | 70.7° | 66.3° |
| H041 | C04 | C05 | H052 | 169.6° | 173.6° |
| H041 | C04 | N03 | H031 | 122.2° | 147.4° |
| H051 | C05 | C06 | H061 | 168.8° | 173.9° |
| H052 | C05 | C06 | H061 | 71.4° | 66.1° |
| H061 | C06 | C07 | H071 | 61.3° | 176.5° |
| H061 | C06 | C07 | H072 | 178.7° | 56.5° |
| H061 | C06 | C07 | H073 | 58.7° | 63.4° |
| H061 | C06 | C08 | H081 | 60.6° | 59.9° |
| H061 | C06 | C08 | H082 | 59.4° | 60.0° |
| H061 | C06 | C08 | H083 | 179.4° | 180.0° |
| H071 | C07 | H072 | H073 | 120.0° | 120.1° |
| H081 | C08 | H082 | H083 | 120.0° | 120.1° |
| H111 | C11 | C12 | H122 | 65.0° | 65.2° |
| H111 | C11 | C12 | H121 | 175.5° | 174.8° |
| H111 | C11 | C19 | H191 | 159.2° | 60.0° |
| H111 | C11 | N10 | H101 | 174.1° | 143.9° |
| H161 | C16 | N15 | H151 | 78.0° | 44.0° |
| H162 | C16 | N15 | H151 | 43.8° | 78.0° |
| H191 | C19 | N20 | H201 | 0.0° | 0.0° |
| H333 | C33 | H332 | H331 | 120.0° | 120.0° |
| H341 | C34 | C35 | H351 | 0.0° | 0.2° |
