A1ALD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.22Å | 1.23Å | |
| C07 | C06 | sing | 1.53Å | 1.53Å | |
| C08 | C06 | sing | 1.53Å | 1.54Å | |
| C06 | C05 | sing | 1.53Å | 1.55Å | |
| C05 | C04 | sing | 1.53Å | 1.55Å | |
| C09 | C04 | sing | 1.51Å | 1.54Å | |
| C14 | C13 | sing | 1.51Å | 1.52Å | |
| C17 | C16 | sing | 1.55Å | 1.59Å | |
| C16 | N15 | sing | 1.47Å | 1.45Å | |
| N15 | C14 | sing | 1.34Å | 1.44Å | |
| O18 | C14 | doub | 1.21Å | 1.22Å | |
| C13 | C12 | sing | 1.53Å | 1.50Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C19 | C11 | sing | 1.51Å | 1.54Å | |
| N20 | C19 | doub | 1.28Å | 1.26Å | |
| C11 | N10 | sing | 1.46Å | 1.46Å | |
| N10 | C09 | sing | 1.35Å | 1.39Å | |
| O21 | C09 | doub | 1.21Å | 1.22Å | |
| C04 | N03 | sing | 1.46Å | 1.48Å | |
| N03 | C02 | sing | 1.35Å | 1.41Å | |
| C22 | C02 | sing | 1.48Å | 1.52Å | |
| C23 | C22 | doub | 1.40Å | 1.40Å | Aromatic |
| C27 | C26 | doub | 1.38Å | 1.38Å | Aromatic |
| N31 | C30 | doub | 1.32Å | 1.39Å | Aromatic |
| N32 | N31 | sing | 1.40Å | 1.38Å | Aromatic |
| C33 | N32 | sing | 1.46Å | 1.51Å | |
| C34 | N32 | sing | 1.34Å | 1.38Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.42Å | Aromatic |
| C30 | C29 | sing | 1.41Å | 1.44Å | Aromatic |
| C29 | C28 | doub | 1.36Å | 1.37Å | Aromatic |
| C28 | C27 | sing | 1.39Å | 1.45Å | Aromatic |
| C26 | C25 | sing | 1.48Å | 1.52Å | |
| C36 | C25 | sing | 1.40Å | 1.41Å | Aromatic |
| C37 | C36 | doub | 1.37Å | 1.40Å | Aromatic |
| C25 | C24 | doub | 1.40Å | 1.42Å | Aromatic |
| C24 | C23 | sing | 1.37Å | 1.41Å | Aromatic |
| C13 | C17 | sing | 1.55Å | 1.52Å | |
| C22 | C37 | sing | 1.40Å | 1.41Å | Aromatic |
| C26 | C35 | sing | 1.46Å | 1.45Å | Aromatic |
| C30 | C35 | sing | 1.47Å | 1.45Å | Aromatic |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | 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 | |
| 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 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | 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 | |
| C29 | H291 | 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 | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | 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 | 116.9° | 120.0° |
| O01 | C02 | C22 | 122.3° | 120.0° |
| C07 | C06 | C08 | 110.2° | 109.5° |
| C07 | C06 | C05 | 110.4° | 109.5° |
| C07 | C06 | H061 | 108.6° | 109.4° |
| C06 | C07 | H071 | 109.5° | 109.4° |
| C06 | C07 | H073 | 109.5° | 109.5° |
| C06 | C07 | H072 | 109.5° | 109.5° |
| C08 | C06 | C05 | 110.5° | 109.5° |
| C08 | C06 | H061 | 108.6° | 109.5° |
| C06 | C08 | H081 | 109.5° | 109.4° |
| C06 | C08 | H082 | 109.4° | 109.4° |
| C06 | C08 | H083 | 109.5° | 109.5° |
| C06 | C05 | C04 | 111.4° | 109.5° |
| C06 | C05 | H052 | 109.0° | 109.5° |
| C06 | C05 | H051 | 109.0° | 109.5° |
| C05 | C06 | H061 | 108.4° | 109.4° |
| C05 | C04 | C09 | 107.4° | 109.5° |
| C05 | C04 | N03 | 111.9° | 109.5° |
| C05 | C04 | H041 | 107.6° | 109.5° |
| C04 | C05 | H052 | 109.0° | 109.5° |
| C04 | C05 | H051 | 109.0° | 109.5° |
| C04 | C09 | N10 | 117.6° | 120.0° |
| C04 | C09 | O21 | 120.9° | 120.0° |
| C09 | C04 | N03 | 113.4° | 109.5° |
| C09 | C04 | H041 | 107.7° | 109.5° |
| C13 | C14 | N15 | 107.4° | 110.1° |
| C13 | C14 | O18 | 129.1° | 124.9° |
| C14 | C13 | C12 | 115.8° | 110.5° |
| C14 | C13 | C17 | 106.5° | 104.2° |
| C14 | C13 | H131 | 110.6° | 110.6° |
| C17 | C16 | N15 | 105.7° | 105.5° |
| C16 | C17 | C13 | 101.1° | 101.8° |
| C16 | C17 | H171 | 111.5° | 111.0° |
| C16 | C17 | H172 | 111.5° | 110.9° |
| C17 | C16 | H162 | 110.4° | 110.2° |
| C17 | C16 | H161 | 110.4° | 110.3° |
| C16 | N15 | C14 | 110.2° | 111.3° |
| N15 | C16 | H162 | 110.4° | 110.3° |
| N15 | C16 | H161 | 110.4° | 110.2° |
| C16 | N15 | H151 | 124.9° | 124.4° |
| N15 | C14 | O18 | 123.6° | 125.0° |
| C14 | N15 | H151 | 124.9° | 124.3° |
| C13 | C12 | C11 | 111.4° | 109.5° |
| C12 | C13 | C17 | 102.4° | 110.5° |
| C12 | C13 | H131 | 110.7° | 110.4° |
| C13 | C12 | H121 | 109.0° | 109.5° |
| C13 | C12 | H122 | 109.0° | 109.5° |
| C12 | C11 | C19 | 111.5° | 109.5° |
| C12 | C11 | N10 | 111.8° | 109.5° |
| C12 | C11 | H111 | 108.1° | 109.5° |
| C11 | C12 | H121 | 109.0° | 109.5° |
| C11 | C12 | H122 | 109.0° | 109.5° |
| C11 | C19 | N20 | 125.7° | 120.0° |
| C19 | C11 | N10 | 107.9° | 109.5° |
| C19 | C11 | H111 | 108.2° | 109.5° |
| C11 | C19 | H191 | 117.2° | 120.0° |
| N20 | C19 | H191 | 117.1° | 120.0° |
| C19 | N20 | H201 | 112.0° | 120.0° |
| C11 | N10 | C09 | 119.2° | 120.0° |
| N10 | C11 | H111 | 109.2° | 109.5° |
| C11 | N10 | H101 | 120.4° | 120.0° |
| N10 | C09 | O21 | 121.5° | 120.0° |
| C09 | N10 | H101 | 120.4° | 120.0° |
| C04 | N03 | C02 | 123.3° | 120.0° |
| N03 | C04 | H041 | 108.5° | 109.5° |
| C04 | N03 | H031 | 118.3° | 120.0° |
| N03 | C02 | C22 | 120.7° | 120.0° |
| C02 | N03 | H031 | 118.3° | 120.0° |
| C02 | C22 | C23 | 124.4° | 120.0° |
| C02 | C22 | C37 | 120.9° | 120.0° |
| C22 | C23 | C24 | 121.9° | 120.0° |
| C23 | C22 | C37 | 114.7° | 120.0° |
| C22 | C23 | H231 | 119.0° | 120.0° |
| C26 | C27 | C28 | 123.5° | 121.4° |
| C27 | C26 | C25 | 124.3° | 120.8° |
| C27 | C26 | C35 | 115.1° | 118.5° |
| C26 | C27 | H271 | 118.2° | 119.3° |
| C30 | N31 | N32 | 105.8° | 108.9° |
| N31 | C30 | C29 | 130.4° | 134.7° |
| N31 | C30 | C35 | 110.4° | 106.7° |
| N31 | N32 | C33 | 125.4° | 125.1° |
| N31 | N32 | C34 | 111.2° | 109.9° |
| C33 | N32 | C34 | 123.5° | 125.0° |
| N32 | C33 | H333 | 109.5° | 109.5° |
| N32 | C33 | H332 | 109.4° | 109.4° |
| N32 | C33 | H331 | 109.5° | 109.5° |
| N32 | C34 | C35 | 108.7° | 107.9° |
| N32 | C34 | H341 | 125.6° | 126.1° |
| C34 | C35 | C26 | 133.8° | 135.1° |
| C34 | C35 | C30 | 103.9° | 106.6° |
| C35 | C34 | H341 | 125.6° | 126.0° |
| C30 | C29 | C28 | 118.4° | 120.5° |
| C29 | C30 | C35 | 119.2° | 118.6° |
| C30 | C29 | H291 | 120.8° | 119.7° |
| C29 | C28 | C27 | 121.5° | 122.6° |
| C29 | C28 | H281 | 119.3° | 118.7° |
| C28 | C29 | H291 | 120.8° | 119.7° |
| C27 | C28 | H281 | 119.3° | 118.7° |
| C28 | C27 | H271 | 118.2° | 119.3° |
| C26 | C25 | C36 | 123.0° | 120.0° |
| C26 | C25 | C24 | 124.2° | 120.0° |
| C25 | C26 | C35 | 120.6° | 120.7° |
| C25 | C36 | C37 | 123.8° | 120.0° |
| C36 | C25 | C24 | 112.8° | 120.0° |
| C25 | C36 | H361 | 118.1° | 120.0° |
| C36 | C37 | C22 | 122.8° | 120.0° |
| C37 | C36 | H361 | 118.1° | 120.0° |
| C36 | C37 | H371 | 118.6° | 120.0° |
| C25 | C24 | C23 | 124.0° | 120.0° |
| C25 | C24 | H241 | 118.0° | 120.0° |
| C23 | C24 | H241 | 118.0° | 120.0° |
| C24 | C23 | H231 | 119.0° | 120.0° |
| C17 | C13 | H131 | 110.5° | 110.5° |
| C13 | C17 | H171 | 111.5° | 111.0° |
| C13 | C17 | H172 | 111.5° | 111.0° |
| C22 | C37 | H371 | 118.6° | 120.0° |
| C26 | C35 | C30 | 122.3° | 118.3° |
| H171 | C17 | H172 | 109.5° | 110.9° |
| H052 | C05 | H051 | 109.5° | 109.4° |
| H071 | C07 | H073 | 109.4° | 109.4° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H073 | C07 | H072 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H081 | C08 | H083 | 109.5° | 109.5° |
| H082 | C08 | H083 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.5° | 110.3° |
| H333 | C33 | H332 | 109.5° | 109.5° |
| H333 | C33 | H331 | 109.5° | 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 | 0.1° | 0.0° |
| O01 | C02 | N03 | C22 | 178.6° | 179.9° |
| O01 | C02 | C22 | C23 | 72.2° | 179.8° |
| O01 | C02 | C22 | C37 | 107.0° | 0.1° |
| O01 | C02 | N03 | H031 | 179.8° | 179.9° |
| C07 | C06 | C08 | C05 | 122.2° | 120.1° |
| C07 | C06 | C08 | H061 | 118.9° | 120.0° |
| C07 | C06 | C05 | H061 | 118.9° | 120.0° |
| C07 | C06 | C05 | C04 | 65.8° | 175.0° |
| C07 | C06 | C05 | H052 | 54.5° | 54.9° |
| C07 | C06 | C05 | H051 | 173.9° | 65.0° |
| C06 | C07 | H071 | H073 | 120.0° | 120.0° |
| C06 | C07 | H071 | H072 | 120.0° | 120.0° |
| C06 | C07 | H073 | H072 | 120.0° | 120.1° |
| C07 | C06 | C08 | H081 | 180.0° | 60.0° |
| C07 | C06 | C08 | H082 | 60.0° | 180.0° |
| C07 | C06 | C08 | H083 | 60.0° | 60.0° |
| C08 | C06 | C05 | H061 | 119.0° | 120.0° |
| C08 | C06 | C05 | C04 | 172.1° | 65.0° |
| C08 | C06 | C05 | H052 | 67.6° | 175.0° |
| C08 | C06 | C05 | H051 | 51.8° | 55.1° |
| C08 | C06 | C07 | H071 | 180.0° | 60.0° |
| C08 | C06 | C07 | H073 | 60.0° | 59.9° |
| C08 | C06 | C07 | H072 | 60.0° | 180.0° |
| C06 | C08 | H081 | H082 | 120.0° | 119.9° |
| C06 | C08 | H081 | H083 | 120.0° | 120.0° |
| C06 | C08 | H082 | H083 | 120.0° | 120.0° |
| C06 | C05 | C04 | H052 | 120.3° | 120.0° |
| C06 | C05 | C04 | H051 | 120.3° | 120.0° |
| C06 | C05 | C04 | C09 | 172.1° | 175.0° |
| C06 | C05 | C04 | N03 | 62.8° | 65.0° |
| C06 | C05 | C04 | H041 | 56.4° | 55.0° |
| C06 | C05 | H052 | H051 | 119.1° | 120.0° |
| C05 | C06 | C07 | H071 | 57.7° | 60.0° |
| C05 | C06 | C07 | H073 | 177.7° | 180.0° |
| C05 | C06 | C07 | H072 | 62.3° | 59.9° |
| C05 | C06 | C08 | H081 | 57.7° | 60.0° |
| C05 | C06 | C08 | H082 | 62.2° | 60.0° |
| C05 | C06 | C08 | H083 | 177.8° | 179.9° |
| C05 | C04 | C09 | N03 | 124.2° | 120.0° |
| C05 | C04 | C09 | H041 | 115.7° | 120.0° |
| C05 | C04 | C09 | N10 | 112.7° | 60.0° |
| C05 | C04 | C09 | O21 | 67.2° | 120.0° |
| C05 | C04 | N03 | H041 | 118.6° | 120.0° |
| C05 | C04 | N03 | C02 | 173.5° | 85.0° |
| C04 | C05 | H052 | H051 | 119.1° | 120.0° |
| C04 | C05 | C06 | H061 | 53.1° | 55.0° |
| C05 | C04 | N03 | H031 | 6.5° | 95.0° |
| C04 | C09 | N10 | C11 | 179.6° | 180.0° |
| C04 | C09 | N10 | O21 | 179.8° | 180.0° |
| C09 | C04 | N03 | H041 | 119.7° | 120.0° |
| C09 | C04 | N03 | C02 | 64.8° | 155.0° |
| C09 | C04 | C05 | H052 | 51.8° | 65.0° |
| C09 | C04 | C05 | H051 | 67.6° | 54.9° |
| C09 | C04 | N03 | H031 | 115.2° | 25.0° |
| C04 | C09 | N10 | H101 | 0.4° | 0.0° |
| C14 | C13 | C17 | C16 | 28.4° | 24.8° |
| C13 | C14 | N15 | C16 | 0.1° | 0.4° |
| C13 | C14 | N15 | O18 | 179.9° | 180.0° |
| C14 | C13 | C12 | C17 | 115.4° | 114.8° |
| C14 | C13 | C12 | H131 | 126.8° | 122.6° |
| C14 | C13 | C12 | C11 | 175.3° | 179.9° |
| C14 | C13 | C17 | H131 | 120.1° | 118.8° |
| C14 | C13 | C17 | H171 | 90.2° | 93.3° |
| C14 | C13 | C17 | H172 | 147.1° | 142.9° |
| C14 | C13 | C12 | H121 | 55.0° | 59.9° |
| C14 | C13 | C12 | H122 | 64.4° | 60.1° |
| C13 | C14 | N15 | H151 | 179.9° | 179.6° |
| C17 | C16 | N15 | H162 | 119.4° | 119.0° |
| C17 | C16 | N15 | H161 | 119.4° | 119.0° |
| C17 | C16 | N15 | C14 | 18.3° | 17.0° |
| C16 | C17 | C13 | C12 | 93.5° | 143.5° |
| C16 | C17 | C13 | H171 | 118.6° | 118.1° |
| C16 | C17 | C13 | H172 | 118.6° | 118.1° |
| C16 | C17 | C13 | H131 | 148.5° | 94.0° |
| C16 | C17 | H171 | H172 | 123.8° | 123.8° |
| C17 | C16 | H162 | H161 | 121.7° | 122.0° |
| C17 | C16 | N15 | H151 | 161.7° | 163.0° |
| C16 | N15 | C14 | H151 | 180.0° | 180.0° |
| C16 | N15 | C14 | O18 | 179.7° | 179.6° |
| N15 | C16 | C17 | C13 | 28.6° | 25.4° |
| N15 | C16 | C17 | H171 | 90.0° | 92.7° |
| N15 | C16 | C17 | H172 | 147.3° | 143.5° |
| N15 | C16 | H162 | H161 | 121.8° | 122.0° |
| N15 | C14 | C13 | C12 | 93.9° | 134.9° |
| N15 | C14 | C13 | C17 | 19.1° | 16.2° |
| N15 | C14 | C13 | H131 | 139.1° | 102.5° |
| C14 | N15 | C16 | H162 | 101.1° | 136.0° |
| C14 | N15 | C16 | H161 | 137.7° | 102.0° |
| O18 | C14 | C13 | C12 | 85.9° | 45.0° |
| O18 | C14 | C13 | C17 | 161.0° | 163.7° |
| O18 | C14 | C13 | H131 | 41.0° | 77.5° |
| O18 | C14 | N15 | H151 | 0.2° | 0.4° |
| C13 | C12 | C11 | H121 | 120.3° | 120.0° |
| C13 | C12 | C11 | H122 | 120.3° | 120.0° |
| C13 | C12 | C11 | C19 | 166.8° | 175.2° |
| C13 | C12 | C11 | N10 | 45.9° | 64.8° |
| C12 | C13 | C17 | H131 | 117.9° | 122.5° |
| C12 | C13 | C17 | H171 | 147.8° | 25.4° |
| C12 | C13 | C17 | H172 | 25.1° | 98.4° |
| C13 | C12 | C11 | H111 | 74.3° | 55.2° |
| C13 | C12 | H121 | H122 | 119.1° | 120.0° |
| C12 | C11 | C19 | N10 | 123.1° | 120.0° |
| C12 | C11 | C19 | H111 | 118.8° | 120.0° |
| C12 | C11 | C19 | N20 | 103.4° | 120.0° |
| C12 | C11 | N10 | H111 | 119.6° | 120.0° |
| C12 | C11 | N10 | C09 | 123.1° | 153.3° |
| C11 | C12 | C13 | C17 | 59.9° | 65.1° |
| C11 | C12 | C13 | H131 | 57.9° | 57.5° |
| C11 | C12 | H121 | H122 | 119.1° | 120.0° |
| C12 | C11 | C19 | H191 | 76.7° | 60.0° |
| C12 | C11 | N10 | H101 | 56.9° | 26.7° |
| C11 | C19 | N20 | H191 | 180.0° | 180.0° |
| C19 | C11 | N10 | H111 | 117.4° | 120.0° |
| C19 | C11 | N10 | C09 | 113.9° | 86.7° |
| C19 | C11 | C12 | H121 | 72.9° | 55.2° |
| C19 | C11 | C12 | H122 | 46.6° | 64.8° |
| C19 | C11 | N10 | H101 | 66.1° | 93.3° |
| C11 | C19 | N20 | H201 | 180.0° | 180.0° |
| N20 | C19 | C11 | N10 | 133.5° | 0.0° |
| N20 | C19 | C11 | H111 | 15.4° | 120.0° |
| C11 | N10 | C09 | H101 | 180.0° | 180.0° |
| C11 | N10 | C09 | O21 | 0.3° | 0.0° |
| N10 | C11 | C12 | H121 | 166.2° | 175.1° |
| N10 | C11 | C12 | H122 | 74.3° | 55.2° |
| N10 | C11 | C19 | H191 | 46.5° | 180.0° |
| N10 | C09 | C04 | N03 | 123.1° | 180.0° |
| N10 | C09 | C04 | H041 | 3.0° | 60.0° |
| C09 | N10 | C11 | H111 | 3.5° | 33.3° |
| O21 | C09 | C04 | N03 | 57.1° | 0.0° |
| O21 | C09 | C04 | H041 | 177.2° | 120.0° |
| O21 | C09 | N10 | H101 | 179.7° | 180.0° |
| C04 | N03 | C02 | H031 | 180.0° | 180.0° |
| C04 | N03 | C02 | C22 | 178.5° | 180.0° |
| N03 | C04 | C05 | H052 | 176.9° | 55.0° |
| N03 | C04 | C05 | H051 | 57.5° | 175.0° |
| N03 | C02 | C22 | C23 | 109.2° | 0.3° |
| N03 | C02 | C22 | C37 | 71.5° | 180.0° |
| C02 | N03 | C04 | H041 | 54.9° | 35.0° |
| C02 | C22 | C23 | C37 | 179.2° | 179.7° |
| C02 | C22 | C37 | C36 | 179.5° | 180.0° |
| C02 | C22 | C23 | C24 | 179.5° | 180.0° |
| C02 | C22 | C23 | H231 | 0.5° | 0.1° |
| C02 | C22 | C37 | H371 | 0.5° | 0.1° |
| C22 | C02 | N03 | H031 | 1.5° | 0.0° |
| C23 | C22 | C37 | C36 | 0.2° | 0.3° |
| C22 | C23 | C24 | C25 | 0.0° | 0.0° |
| C22 | C23 | C24 | H231 | 180.0° | 179.9° |
| C22 | C23 | C24 | H241 | 180.0° | 180.0° |
| C23 | C22 | C37 | H371 | 179.8° | 179.7° |
| C27 | C26 | C35 | C34 | 179.9° | 179.7° |
| C26 | C27 | C28 | C29 | 0.4° | 0.0° |
| C26 | C27 | C28 | H271 | 180.0° | 180.0° |
| C27 | C26 | C25 | C35 | 178.8° | 179.6° |
| C27 | C26 | C25 | C36 | 43.4° | 130.6° |
| C27 | C26 | C25 | C24 | 137.7° | 49.6° |
| C27 | C26 | C35 | C30 | 0.8° | 0.3° |
| C26 | C27 | C28 | H281 | 179.6° | 179.9° |
| C30 | N31 | N32 | C33 | 180.0° | 179.7° |
| C30 | N31 | N32 | C34 | 0.0° | 0.4° |
| N31 | C30 | C35 | C34 | 0.1° | 0.2° |
| N31 | C30 | C29 | C35 | 180.0° | 179.8° |
| N31 | C30 | C29 | C28 | 180.0° | 179.9° |
| N31 | C30 | C35 | C26 | 179.6° | 179.8° |
| N31 | C30 | C29 | H291 | 0.0° | 0.2° |
| N31 | N32 | C33 | C34 | 180.0° | 179.9° |
| N31 | N32 | C34 | C35 | 0.1° | 0.3° |
| N32 | N31 | C30 | C29 | 180.0° | 179.9° |
| N32 | N31 | C30 | C35 | 0.1° | 0.3° |
| N31 | N32 | C33 | H333 | 0.0° | 89.9° |
| N31 | N32 | C33 | H332 | 120.0° | 30.1° |
| N31 | N32 | C33 | H331 | 120.0° | 150.0° |
| N31 | N32 | C34 | H341 | 180.0° | 180.0° |
| C33 | N32 | C34 | C35 | 180.0° | 179.8° |
| N32 | C33 | H333 | H332 | 120.0° | 120.0° |
| N32 | C33 | H333 | H331 | 120.0° | 120.0° |
| N32 | C33 | H332 | H331 | 120.0° | 120.0° |
| C33 | N32 | C34 | H341 | 0.0° | 0.1° |
| N32 | C34 | C35 | H341 | 180.0° | 179.8° |
| N32 | C34 | C35 | C26 | 179.5° | 180.0° |
| N32 | C34 | C35 | C30 | 0.1° | 0.1° |
| C34 | N32 | C33 | H333 | 180.0° | 90.0° |
| C34 | N32 | C33 | H332 | 60.0° | 150.0° |
| C34 | N32 | C33 | H331 | 60.0° | 30.1° |
| C34 | C35 | C30 | C29 | 179.9° | 180.0° |
| C34 | C35 | C26 | C25 | 1.0° | 0.1° |
| C34 | C35 | C26 | C30 | 179.3° | 179.9° |
| C30 | C29 | C28 | H291 | 180.0° | 179.8° |
| C30 | C29 | C28 | C27 | 0.0° | 0.3° |
| C29 | C30 | C35 | C26 | 0.4° | 0.1° |
| C30 | C29 | C28 | H281 | 180.0° | 179.8° |
| C29 | C28 | C27 | H281 | 180.0° | 179.9° |
| C28 | C29 | C30 | C35 | 0.0° | 0.2° |
| C29 | C28 | C27 | H271 | 179.6° | 180.0° |
| C28 | C27 | C26 | C25 | 179.6° | 180.0° |
| C28 | C27 | C26 | C35 | 0.8° | 0.3° |
| C27 | C28 | C29 | H291 | 180.0° | 179.9° |
| C26 | C25 | C36 | C24 | 179.1° | 179.7° |
| C26 | C25 | C36 | C37 | 179.5° | 180.0° |
| C26 | C25 | C24 | C23 | 179.4° | 180.0° |
| C25 | C26 | C35 | C30 | 179.6° | 180.0° |
| C26 | C25 | C24 | H241 | 0.6° | 0.1° |
| C25 | C26 | C27 | H271 | 0.4° | 0.0° |
| C26 | C25 | C36 | H361 | 0.5° | 0.1° |
| C25 | C36 | C37 | H361 | 180.0° | 179.9° |
| C36 | C25 | C24 | C23 | 0.4° | 0.3° |
| C25 | C36 | C37 | C22 | 0.1° | 0.0° |
| C36 | C25 | C26 | C35 | 135.4° | 49.7° |
| C36 | C25 | C24 | H241 | 179.6° | 179.7° |
| C25 | C36 | C37 | H371 | 179.9° | 180.0° |
| C37 | C36 | C25 | C24 | 0.4° | 0.3° |
| C36 | C37 | C22 | H371 | 180.0° | 180.0° |
| C25 | C24 | C23 | H241 | 180.0° | 179.9° |
| C24 | C25 | C26 | C35 | 43.6° | 130.0° |
| C25 | C24 | C23 | H231 | 179.9° | 180.0° |
| C24 | C25 | C36 | H361 | 179.6° | 179.8° |
| C24 | C23 | C22 | C37 | 0.3° | 0.3° |
| C13 | C17 | H171 | H172 | 123.9° | 123.8° |
| C17 | C13 | C12 | H121 | 60.4° | 54.9° |
| C17 | C13 | C12 | H122 | 179.8° | 174.9° |
| C13 | C17 | C16 | H162 | 90.8° | 144.4° |
| C13 | C17 | C16 | H161 | 148.0° | 93.6° |
| C37 | C22 | C23 | H231 | 179.8° | 179.7° |
| C22 | C37 | C36 | H361 | 179.9° | 179.9° |
| C35 | C26 | C27 | H271 | 179.3° | 179.7° |
| C26 | C35 | C34 | H341 | 0.5° | 0.2° |
| C35 | C30 | C29 | H291 | 180.0° | 180.0° |
| C30 | C35 | C34 | H341 | 179.9° | 179.8° |
| H131 | C13 | C17 | H171 | 29.9° | 147.9° |
| H131 | C13 | C17 | H172 | 92.8° | 24.1° |
| H131 | C13 | C12 | H121 | 178.2° | 177.5° |
| H131 | C13 | C12 | H122 | 62.4° | 62.5° |
| H171 | C17 | C16 | H162 | 150.6° | 26.3° |
| H171 | C17 | C16 | H161 | 29.4° | 148.3° |
| H172 | C17 | C16 | H162 | 27.9° | 97.5° |
| H172 | C17 | C16 | H161 | 93.3° | 24.5° |
| H241 | C24 | C23 | H231 | 0.1° | 0.1° |
| H281 | C28 | C27 | H271 | 0.4° | 0.1° |
| H281 | C28 | C29 | H291 | 0.0° | 0.0° |
| H041 | C04 | C05 | H052 | 63.9° | 175.0° |
| H041 | C04 | C05 | H051 | 176.7° | 65.0° |
| H041 | C04 | N03 | H031 | 125.1° | 145.0° |
| H052 | C05 | C06 | H061 | 173.4° | 65.0° |
| H051 | C05 | C06 | H061 | 67.2° | 175.1° |
| H061 | C06 | C07 | H071 | 61.1° | NaN° |
| H061 | C06 | C07 | H073 | 58.9° | 60.1° |
| H061 | C06 | C07 | H072 | 178.9° | 60.0° |
| H061 | C06 | C08 | H081 | 61.1° | 180.0° |
| H061 | C06 | C08 | H082 | 178.9° | 60.0° |
| H061 | C06 | C08 | H083 | 58.9° | 60.0° |
| H071 | C07 | H073 | H072 | 120.0° | 120.0° |
| H081 | C08 | H082 | H083 | 120.0° | 120.1° |
| H111 | C11 | C12 | H121 | 46.0° | 64.8° |
| H111 | C11 | C12 | H122 | 165.4° | 175.2° |
| H111 | C11 | C19 | H191 | 164.5° | 60.0° |
| H111 | C11 | N10 | H101 | 176.5° | 146.7° |
| H162 | C16 | N15 | H151 | 78.9° | 44.0° |
| H161 | C16 | N15 | H151 | 42.3° | 78.0° |
| H191 | C19 | N20 | H201 | 0.0° | 0.1° |
| H333 | C33 | H332 | H331 | 120.0° | 120.0° |
| H361 | C36 | C37 | H371 | 0.1° | 0.1° |
