A1ALH
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 | 1.46Å | 1.49Å | |
| C06 | C05 | sing | 1.53Å | 1.55Å | |
| C07 | C06 | sing | 1.53Å | 1.54Å | |
| C08 | C06 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.58Å | |
| C09 | C04 | sing | 1.51Å | 1.57Å | |
| C11 | N10 | sing | 1.46Å | 1.50Å | |
| C13 | C12 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.51Å | 1.54Å | |
| C16 | N15 | sing | 1.47Å | 1.46Å | |
| C17 | C16 | sing | 1.54Å | 1.54Å | |
| N15 | C14 | sing | 1.34Å | 1.40Å | |
| O18 | C14 | doub | 1.21Å | 1.22Å | |
| C12 | C11 | sing | 1.53Å | 1.56Å | |
| C19 | C11 | sing | 1.51Å | 1.55Å | |
| N20 | C19 | doub | 1.28Å | 1.25Å | |
| N10 | C09 | sing | 1.35Å | 1.42Å | |
| O21 | C09 | doub | 1.21Å | 1.21Å | |
| N03 | C02 | sing | 1.35Å | 1.43Å | |
| C22 | C02 | sing | 1.48Å | 1.53Å | |
| C23 | C22 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C25 | C24 | doub | 1.40Å | 1.41Å | Aromatic |
| C27 | C26 | doub | 1.40Å | 1.42Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.42Å | Aromatic |
| C31 | O30 | sing | 1.43Å | 1.42Å | |
| O30 | C29 | sing | 1.36Å | 1.37Å | |
| C32 | C29 | sing | 1.39Å | 1.40Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.41Å | Aromatic |
| C29 | C28 | doub | 1.39Å | 1.42Å | Aromatic |
| O34 | C28 | sing | 1.36Å | 1.39Å | |
| C35 | O34 | sing | 1.43Å | 1.43Å | |
| C26 | C25 | sing | 1.48Å | 1.56Å | |
| C36 | C25 | sing | 1.40Å | 1.42Å | Aromatic |
| C37 | C36 | doub | 1.38Å | 1.42Å | Aromatic |
| C13 | C17 | sing | 1.55Å | 1.55Å | |
| C22 | C37 | sing | 1.40Å | 1.40Å | Aromatic |
| C26 | C33 | sing | 1.39Å | 1.41Å | 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 | H073 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H083 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | 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 | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H353 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| 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 | 118.6° | 120.0° |
| O01 | C02 | C22 | 119.3° | 120.0° |
| N03 | C04 | C05 | 109.4° | 109.5° |
| N03 | C04 | C09 | 109.4° | 109.5° |
| C04 | N03 | C02 | 126.3° | 120.0° |
| N03 | C04 | H041 | 110.1° | 109.5° |
| C04 | N03 | H031 | 116.9° | 120.0° |
| C05 | C06 | C07 | 113.5° | 109.5° |
| C05 | C06 | C08 | 112.5° | 109.4° |
| C06 | C05 | C04 | 114.1° | 109.5° |
| C06 | C05 | H051 | 108.3° | 109.5° |
| C06 | C05 | H052 | 108.3° | 109.5° |
| C05 | C06 | H061 | 106.8° | 109.5° |
| C07 | C06 | C08 | 109.6° | 109.5° |
| C07 | C06 | H061 | 107.0° | 109.5° |
| C06 | C07 | H073 | 109.5° | 109.5° |
| C06 | C07 | H071 | 109.5° | 109.5° |
| C06 | C07 | H072 | 109.5° | 109.5° |
| C08 | C06 | H061 | 107.0° | 109.5° |
| C06 | C08 | H082 | 109.5° | 109.5° |
| C06 | C08 | H083 | 109.5° | 109.4° |
| C06 | C08 | H081 | 109.5° | 109.5° |
| C05 | C04 | C09 | 109.7° | 109.4° |
| C05 | C04 | H041 | 109.0° | 109.5° |
| C04 | C05 | H051 | 108.3° | 109.4° |
| C04 | C05 | H052 | 108.3° | 109.5° |
| C04 | C09 | N10 | 121.2° | 120.0° |
| C04 | C09 | O21 | 119.5° | 120.0° |
| C09 | C04 | H041 | 109.2° | 109.5° |
| N10 | C11 | C12 | 113.3° | 109.5° |
| N10 | C11 | C19 | 111.6° | 109.5° |
| C11 | N10 | C09 | 122.7° | 120.0° |
| N10 | C11 | H111 | 107.6° | 109.5° |
| C11 | N10 | H101 | 118.7° | 120.0° |
| C12 | C13 | C14 | 110.6° | 110.5° |
| C13 | C12 | C11 | 115.4° | 109.5° |
| C12 | C13 | C17 | 112.1° | 110.5° |
| C12 | C13 | H131 | 110.3° | 110.5° |
| C13 | C12 | H121 | 107.9° | 109.5° |
| C13 | C12 | H122 | 107.9° | 109.5° |
| C13 | C14 | N15 | 108.9° | 110.1° |
| C13 | C14 | O18 | 127.7° | 124.9° |
| C14 | C13 | C17 | 103.2° | 104.2° |
| C14 | C13 | H131 | 110.3° | 110.6° |
| N15 | C16 | C17 | 103.9° | 105.5° |
| C16 | N15 | C14 | 113.9° | 111.3° |
| N15 | C16 | H162 | 110.9° | 110.3° |
| N15 | C16 | H161 | 110.8° | 110.3° |
| C16 | N15 | H151 | 123.1° | 124.4° |
| C16 | C17 | C13 | 107.3° | 101.8° |
| C16 | C17 | H172 | 110.0° | 110.9° |
| C16 | C17 | H171 | 110.0° | 111.0° |
| C17 | C16 | H162 | 110.8° | 110.3° |
| C17 | C16 | H161 | 110.8° | 110.3° |
| N15 | C14 | O18 | 123.4° | 125.0° |
| C14 | N15 | H151 | 123.1° | 124.3° |
| C12 | C11 | C19 | 109.8° | 109.5° |
| C12 | C11 | H111 | 107.0° | 109.4° |
| C11 | C12 | H121 | 108.0° | 109.5° |
| C11 | C12 | H122 | 108.0° | 109.5° |
| C11 | C19 | N20 | 128.3° | 120.0° |
| C19 | C11 | H111 | 107.2° | 109.5° |
| C11 | C19 | H191 | 115.8° | 120.0° |
| N20 | C19 | H191 | 115.8° | 120.0° |
| C19 | N20 | H201 | 112.0° | 120.0° |
| N10 | C09 | O21 | 119.3° | 120.0° |
| C09 | N10 | H101 | 118.6° | 120.0° |
| N03 | C02 | C22 | 122.0° | 120.0° |
| C02 | N03 | H031 | 116.8° | 120.0° |
| C02 | C22 | C23 | 124.7° | 120.0° |
| C02 | C22 | C37 | 123.1° | 120.0° |
| C22 | C23 | C24 | 123.5° | 119.9° |
| C23 | C22 | C37 | 112.2° | 120.0° |
| C22 | C23 | H231 | 118.3° | 120.0° |
| C23 | C24 | C25 | 125.8° | 120.0° |
| C23 | C24 | H241 | 117.1° | 120.0° |
| C24 | C23 | H231 | 118.3° | 120.0° |
| C24 | C25 | C26 | 123.3° | 120.0° |
| C24 | C25 | C36 | 109.7° | 120.1° |
| C25 | C24 | H241 | 117.1° | 120.0° |
| C26 | C27 | C28 | 126.1° | 119.9° |
| C27 | C26 | C25 | 123.4° | 120.1° |
| C27 | C26 | C33 | 111.7° | 119.9° |
| C26 | C27 | H271 | 116.9° | 120.0° |
| C27 | C28 | C29 | 120.0° | 120.0° |
| C27 | C28 | O34 | 121.2° | 120.0° |
| C28 | C27 | H271 | 116.9° | 120.1° |
| C31 | O30 | C29 | 118.3° | 117.0° |
| O30 | C31 | H312 | 109.5° | 109.5° |
| O30 | C31 | H311 | 109.5° | 109.5° |
| O30 | C31 | H313 | 109.5° | 109.5° |
| O30 | C29 | C32 | 121.2° | 119.9° |
| O30 | C29 | C28 | 123.3° | 120.0° |
| C29 | C32 | C33 | 123.0° | 120.1° |
| C32 | C29 | C28 | 115.4° | 120.1° |
| C29 | C32 | H321 | 118.5° | 119.9° |
| C32 | C33 | C26 | 123.7° | 120.1° |
| C33 | C32 | H321 | 118.5° | 120.0° |
| C32 | C33 | H331 | 118.1° | 120.0° |
| C29 | C28 | O34 | 118.7° | 120.0° |
| C28 | O34 | C35 | 117.8° | 117.0° |
| O34 | C35 | H351 | 109.5° | 109.4° |
| O34 | C35 | H353 | 109.4° | 109.5° |
| O34 | C35 | H352 | 109.5° | 109.5° |
| C26 | C25 | C36 | 127.0° | 120.0° |
| C25 | C26 | C33 | 124.9° | 120.1° |
| C25 | C36 | C37 | 125.0° | 120.0° |
| C25 | C36 | H361 | 117.5° | 120.0° |
| C36 | C37 | C22 | 123.7° | 120.0° |
| C37 | C36 | H361 | 117.5° | 120.0° |
| C36 | C37 | H371 | 118.1° | 120.1° |
| C17 | C13 | H131 | 110.1° | 110.5° |
| C13 | C17 | H172 | 110.0° | 111.0° |
| C13 | C17 | H171 | 110.0° | 111.0° |
| C22 | C37 | H371 | 118.1° | 120.0° |
| C26 | C33 | H331 | 118.2° | 120.0° |
| H172 | C17 | H171 | 109.4° | 110.8° |
| H051 | C05 | H052 | 109.5° | 109.4° |
| H073 | C07 | H071 | 109.5° | 109.4° |
| H073 | C07 | H072 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H082 | C08 | H083 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.4° | 109.5° |
| H083 | C08 | H081 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.5° | 110.2° |
| H312 | C31 | H311 | 109.5° | 109.4° |
| H312 | C31 | H313 | 109.4° | 109.5° |
| H311 | C31 | H313 | 109.4° | 109.5° |
| H351 | C35 | H353 | 109.4° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.4° |
| H353 | C35 | H352 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N03 | C04 | 1.2° | 4.8° |
| O01 | C02 | N03 | C22 | 177.7° | 180.0° |
| O01 | C02 | C22 | C23 | 36.1° | 179.7° |
| O01 | C02 | C22 | C37 | 142.6° | 0.0° |
| O01 | C02 | N03 | H031 | 178.8° | 175.2° |
| N03 | C04 | C05 | C06 | 87.0° | 173.6° |
| N03 | C04 | C05 | C09 | 120.0° | 120.0° |
| N03 | C04 | C05 | H041 | 120.5° | 120.0° |
| N03 | C04 | C09 | H041 | 120.5° | 120.0° |
| N03 | C04 | C09 | N10 | 137.4° | 166.7° |
| N03 | C04 | C09 | O21 | 41.7° | 13.4° |
| C04 | N03 | C02 | H031 | 180.0° | 180.0° |
| C04 | N03 | C02 | C22 | 178.9° | 175.2° |
| N03 | C04 | C05 | H051 | 152.3° | 53.6° |
| N03 | C04 | C05 | H052 | 33.7° | 66.4° |
| C05 | C06 | C07 | C08 | 126.8° | 119.9° |
| C05 | C06 | C07 | H061 | 117.5° | 120.0° |
| C05 | C06 | C08 | H061 | 117.0° | 120.0° |
| C06 | C05 | C04 | H051 | 120.7° | 120.0° |
| C06 | C05 | C04 | H052 | 120.7° | 120.0° |
| C06 | C05 | C04 | C09 | 153.0° | 66.4° |
| C06 | C05 | C04 | H041 | 33.5° | 53.6° |
| C06 | C05 | H051 | H052 | 117.8° | 120.0° |
| C05 | C06 | C07 | H073 | 180.0° | 176.5° |
| C05 | C06 | C07 | H071 | 60.0° | 56.6° |
| C05 | C06 | C07 | H072 | 60.0° | 63.5° |
| C05 | C06 | C08 | H082 | 180.0° | 60.0° |
| C05 | C06 | C08 | H083 | 60.0° | 180.0° |
| C05 | C06 | C08 | H081 | 60.0° | 60.0° |
| C07 | C06 | C08 | H061 | 115.7° | 120.0° |
| C07 | C06 | C05 | C04 | 174.1° | 66.1° |
| C07 | C06 | C05 | H051 | 65.2° | 53.9° |
| C07 | C06 | C05 | H052 | 53.4° | 173.9° |
| C06 | C07 | H073 | H071 | 120.0° | 120.0° |
| C06 | C07 | H073 | H072 | 120.0° | 120.1° |
| C06 | C07 | H071 | H072 | 120.0° | 120.1° |
| C07 | C06 | C08 | H082 | 52.7° | 180.0° |
| C07 | C06 | C08 | H083 | 67.3° | 60.1° |
| C07 | C06 | C08 | H081 | 172.7° | 60.0° |
| C08 | C06 | C05 | C04 | 60.6° | 174.0° |
| C08 | C06 | C05 | H051 | 60.1° | 66.1° |
| C08 | C06 | C05 | H052 | 178.7° | 53.9° |
| C08 | C06 | C07 | H073 | 53.2° | 63.6° |
| C08 | C06 | C07 | H071 | 173.2° | 176.5° |
| C08 | C06 | C07 | H072 | 66.8° | 56.5° |
| C06 | C08 | H082 | H083 | 120.0° | 119.9° |
| C06 | C08 | H082 | H081 | 120.0° | 120.0° |
| C06 | C08 | H083 | H081 | 120.0° | 120.0° |
| C05 | C04 | C09 | H041 | 119.4° | 119.9° |
| C05 | C04 | C09 | N10 | 102.6° | 73.3° |
| C05 | C04 | C09 | O21 | 78.3° | 106.6° |
| C05 | C04 | N03 | C02 | 167.1° | 87.4° |
| C04 | C05 | H051 | H052 | 117.9° | 120.0° |
| C04 | C05 | C06 | H061 | 56.5° | 54.0° |
| C05 | C04 | N03 | H031 | 12.9° | 92.6° |
| C04 | C09 | N10 | C11 | 179.9° | 175.3° |
| C04 | C09 | N10 | O21 | 179.0° | 179.9° |
| C09 | C04 | N03 | C02 | 46.9° | 152.6° |
| C09 | C04 | C05 | H051 | 32.3° | 173.6° |
| C09 | C04 | C05 | H052 | 86.3° | 53.7° |
| C09 | C04 | N03 | H031 | 133.1° | 27.4° |
| C04 | C09 | N10 | H101 | 0.1° | 4.7° |
| N10 | C11 | C12 | C13 | 55.8° | 65.2° |
| N10 | C11 | C12 | C19 | 125.6° | 120.0° |
| N10 | C11 | C12 | H111 | 118.4° | 120.0° |
| N10 | C11 | C19 | H111 | 117.6° | 120.0° |
| N10 | C11 | C19 | N20 | 138.9° | 0.1° |
| C11 | N10 | C09 | H101 | 180.0° | 180.0° |
| C11 | N10 | C09 | O21 | 0.9° | 4.8° |
| N10 | C11 | C12 | H121 | 176.7° | 174.8° |
| N10 | C11 | C12 | H122 | 65.0° | 54.8° |
| N10 | C11 | C19 | H191 | 41.1° | 180.0° |
| C12 | C13 | C14 | C17 | 120.1° | 118.7° |
| C12 | C13 | C14 | H131 | 122.3° | 122.7° |
| C12 | C13 | C17 | C16 | 103.2° | 143.5° |
| C12 | C13 | C14 | N15 | 110.1° | 134.9° |
| C12 | C13 | C14 | O18 | 69.5° | 45.1° |
| C13 | C12 | C11 | H121 | 120.9° | 120.0° |
| C13 | C12 | C11 | H122 | 120.9° | 120.0° |
| C13 | C12 | C11 | C19 | 178.6° | 174.8° |
| C12 | C13 | C17 | H131 | 123.2° | 122.6° |
| C12 | C13 | C17 | H172 | 137.1° | 25.3° |
| C12 | C13 | C17 | H171 | 16.4° | 98.4° |
| C13 | C12 | C11 | H111 | 62.6° | 54.8° |
| C13 | C12 | H121 | H122 | 117.3° | 120.0° |
| C13 | C14 | N15 | C16 | 0.0° | 0.4° |
| C14 | C13 | C17 | C16 | 15.9° | 24.8° |
| C13 | C14 | N15 | O18 | 179.7° | 180.0° |
| C14 | C13 | C12 | C11 | 177.4° | 179.4° |
| C14 | C13 | C17 | H131 | 117.7° | 118.7° |
| C14 | C13 | C17 | H172 | 103.8° | 93.3° |
| C14 | C13 | C17 | H171 | 135.6° | 142.9° |
| C14 | C13 | C12 | H121 | 56.6° | 60.6° |
| C14 | C13 | C12 | H122 | 61.7° | 59.4° |
| C13 | C14 | N15 | H151 | 180.0° | 179.6° |
| N15 | C16 | C17 | H162 | 119.2° | 119.0° |
| N15 | C16 | C17 | H161 | 119.1° | 119.0° |
| C16 | N15 | C14 | H151 | 180.0° | 180.0° |
| C16 | N15 | C14 | O18 | 179.7° | 179.6° |
| N15 | C16 | C17 | C13 | 16.0° | 25.4° |
| N15 | C16 | C17 | H172 | 103.7° | 92.7° |
| N15 | C16 | C17 | H171 | 135.7° | 143.5° |
| N15 | C16 | H162 | H161 | 122.6° | 122.0° |
| C17 | C16 | N15 | C14 | 10.1° | 17.0° |
| C16 | C17 | C13 | H172 | 119.7° | 118.1° |
| C16 | C17 | C13 | H171 | 119.7° | 118.2° |
| C16 | C17 | C13 | H131 | 133.6° | 94.0° |
| C16 | C17 | H172 | H171 | 121.0° | 123.8° |
| C17 | C16 | H162 | H161 | 122.6° | 122.0° |
| C17 | C16 | N15 | H151 | 169.9° | 163.0° |
| N15 | C14 | C13 | C17 | 10.0° | 16.2° |
| N15 | C14 | C13 | H131 | 127.6° | 102.4° |
| C14 | N15 | C16 | H162 | 129.2° | 136.0° |
| C14 | N15 | C16 | H161 | 109.0° | 102.0° |
| O18 | C14 | C13 | C17 | 170.3° | 163.8° |
| O18 | C14 | C13 | H131 | 52.7° | 77.5° |
| O18 | C14 | N15 | H151 | 0.3° | 0.4° |
| C12 | C11 | C19 | H111 | 115.9° | 120.0° |
| C12 | C11 | C19 | N20 | 94.6° | 120.0° |
| C12 | C11 | N10 | C09 | 100.3° | 156.2° |
| C11 | C12 | C13 | C17 | 62.8° | 65.9° |
| C11 | C12 | C13 | H131 | 60.3° | 56.7° |
| C11 | C12 | H121 | H122 | 117.3° | 120.0° |
| C12 | C11 | C19 | H191 | 85.4° | 59.9° |
| C12 | C11 | N10 | H101 | 79.7° | 23.8° |
| C11 | C19 | N20 | H191 | 180.0° | 179.9° |
| C19 | C11 | N10 | C09 | 135.1° | 83.8° |
| C19 | C11 | C12 | H121 | 57.8° | 54.8° |
| C19 | C11 | C12 | H122 | 60.5° | 65.3° |
| C19 | C11 | N10 | H101 | 44.9° | 96.2° |
| C11 | C19 | N20 | H201 | 180.0° | 180.0° |
| N20 | C19 | C11 | H111 | 21.3° | 120.1° |
| N10 | C09 | C04 | H041 | 16.8° | 46.6° |
| C09 | N10 | C11 | H111 | 17.8° | 36.2° |
| O21 | C09 | C04 | H041 | 162.2° | 133.4° |
| O21 | C09 | N10 | H101 | 179.1° | 175.2° |
| N03 | C02 | C22 | C23 | 146.2° | 0.3° |
| N03 | C02 | C22 | C37 | 35.0° | 180.0° |
| C02 | N03 | C04 | H041 | 73.1° | 32.6° |
| C02 | C22 | C23 | C37 | 178.9° | 179.7° |
| C02 | C22 | C23 | C24 | 178.9° | 180.0° |
| C02 | C22 | C37 | C36 | 179.0° | 180.0° |
| C02 | C22 | C23 | H231 | 1.1° | 0.1° |
| C02 | C22 | C37 | H371 | 0.9° | 0.0° |
| C22 | C02 | N03 | H031 | 1.1° | 4.8° |
| C22 | C23 | C24 | H231 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 0.3° | 0.0° |
| C23 | C22 | C37 | C36 | 0.1° | 0.3° |
| C22 | C23 | C24 | H241 | 179.7° | 180.0° |
| C23 | C22 | C37 | H371 | 179.8° | 179.7° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 179.6° | 180.0° |
| C23 | C24 | C25 | C36 | 0.6° | 0.3° |
| C24 | C23 | C22 | C37 | 0.1° | 0.3° |
| C24 | C25 | C26 | C27 | 32.7° | 179.7° |
| C24 | C25 | C26 | C36 | 178.8° | 179.7° |
| C24 | C25 | C36 | C37 | 0.5° | 0.3° |
| C24 | C25 | C26 | C33 | 148.8° | 0.0° |
| C25 | C24 | C23 | H231 | 179.7° | 179.9° |
| C24 | C25 | C36 | H361 | 179.5° | 179.8° |
| C26 | C27 | C28 | H271 | 180.0° | 180.0° |
| C27 | C26 | C33 | C32 | 0.7° | 0.2° |
| C26 | C27 | C28 | C29 | 0.4° | 0.0° |
| C26 | C27 | C28 | O34 | 179.5° | 180.0° |
| C27 | C26 | C25 | C33 | 178.6° | 179.7° |
| C27 | C26 | C25 | C36 | 146.1° | 0.6° |
| C27 | C26 | C33 | H331 | 179.2° | 179.7° |
| C27 | C28 | C29 | O30 | 179.9° | 180.0° |
| C27 | C28 | C29 | C32 | 0.1° | 0.3° |
| C27 | C28 | C29 | O34 | 179.9° | 180.0° |
| C27 | C28 | O34 | C35 | 27.1° | 0.0° |
| C28 | C27 | C26 | C25 | 179.5° | 180.0° |
| C28 | C27 | C26 | C33 | 0.8° | 0.3° |
| C31 | O30 | C29 | C32 | 99.4° | 0.3° |
| C31 | O30 | C29 | C28 | 80.5° | 180.0° |
| O30 | C31 | H312 | H311 | 120.0° | 120.0° |
| O30 | C31 | H312 | H313 | 120.0° | 120.0° |
| O30 | C31 | H311 | H313 | 120.0° | 120.0° |
| O30 | C29 | C32 | C28 | 180.0° | 179.7° |
| O30 | C29 | C32 | C33 | 179.9° | 180.0° |
| O30 | C29 | C28 | O34 | 0.0° | 0.0° |
| C29 | O30 | C31 | H312 | 180.0° | 60.0° |
| C29 | O30 | C31 | H311 | 60.0° | 179.9° |
| C29 | O30 | C31 | H313 | 60.0° | 60.0° |
| O30 | C29 | C32 | H321 | 0.1° | 0.3° |
| C29 | C32 | C33 | H321 | 180.0° | 179.7° |
| C32 | C29 | C28 | O34 | 180.0° | 179.7° |
| C29 | C32 | C33 | C26 | 0.3° | 0.1° |
| C29 | C32 | C33 | H331 | 179.7° | 180.0° |
| C33 | C32 | C29 | C28 | 0.1° | 0.3° |
| C32 | C33 | C26 | C25 | 179.5° | 180.0° |
| C32 | C33 | C26 | H331 | 180.0° | 180.0° |
| C29 | C28 | O34 | C35 | 152.8° | 180.0° |
| C29 | C28 | C27 | H271 | 179.6° | 180.0° |
| C28 | C29 | C32 | H321 | 179.9° | 180.0° |
| O34 | C28 | C27 | H271 | 0.5° | 0.0° |
| C28 | O34 | C35 | H351 | 180.0° | 60.0° |
| C28 | O34 | C35 | H353 | 60.0° | 59.9° |
| C28 | O34 | C35 | H352 | 60.0° | 180.0° |
| O34 | C35 | H351 | H353 | 120.0° | 120.0° |
| O34 | C35 | H351 | H352 | 120.0° | 120.0° |
| O34 | C35 | H353 | H352 | 120.0° | 120.0° |
| C26 | C25 | C36 | C37 | 179.5° | 180.0° |
| C26 | C25 | C24 | H241 | 0.4° | 0.0° |
| C25 | C26 | C27 | H271 | 0.5° | 0.0° |
| C25 | C26 | C33 | H331 | 0.5° | 0.0° |
| C26 | C25 | C36 | H361 | 0.5° | 0.1° |
| C25 | C36 | C37 | H361 | 180.0° | 179.9° |
| C25 | C36 | C37 | C22 | 0.2° | 0.0° |
| C36 | C25 | C26 | C33 | 32.4° | 179.7° |
| C36 | C25 | C24 | H241 | 179.4° | 179.7° |
| C25 | C36 | C37 | H371 | 179.8° | 180.0° |
| C36 | C37 | C22 | H371 | 180.0° | 180.0° |
| C13 | C17 | H172 | H171 | 121.0° | 123.8° |
| C17 | C13 | C12 | H121 | 58.1° | 54.1° |
| C17 | C13 | C12 | H122 | 176.4° | 174.1° |
| C13 | C17 | C16 | H162 | 135.1° | 144.5° |
| C13 | C17 | C16 | H161 | 103.1° | 93.6° |
| C37 | C22 | C23 | H231 | 179.9° | 179.8° |
| C22 | C37 | C36 | H361 | 179.8° | 179.9° |
| C33 | C26 | C27 | H271 | 179.2° | 179.7° |
| C26 | C33 | C32 | H321 | 179.6° | 179.7° |
| H131 | C13 | C17 | H172 | 13.9° | 147.9° |
| H131 | C13 | C17 | H171 | 106.7° | 24.2° |
| H131 | C13 | C12 | H121 | 178.8° | 176.7° |
| H131 | C13 | C12 | H122 | 60.6° | 63.3° |
| H172 | C17 | C16 | H162 | 15.4° | 26.3° |
| H172 | C17 | C16 | H161 | 137.2° | 148.2° |
| H171 | C17 | C16 | H162 | 105.2° | 97.4° |
| H171 | C17 | C16 | H161 | 16.6° | 24.5° |
| H241 | C24 | C23 | H231 | 0.3° | 0.1° |
| H041 | C04 | C05 | H051 | 87.2° | 66.4° |
| H041 | C04 | C05 | H052 | 154.1° | 173.6° |
| H041 | C04 | N03 | H031 | 106.9° | 147.4° |
| H051 | C05 | C06 | H061 | 177.2° | 174.0° |
| H052 | C05 | C06 | H061 | 64.2° | 66.0° |
| H061 | C06 | C07 | H073 | 62.5° | 56.5° |
| H061 | C06 | C07 | H071 | 57.6° | 63.5° |
| H061 | C06 | C07 | H072 | 177.5° | 176.5° |
| H061 | C06 | C08 | H082 | 63.0° | 60.0° |
| H061 | C06 | C08 | H083 | 177.0° | 60.0° |
| H061 | C06 | C08 | H081 | 57.0° | 180.0° |
| H073 | C07 | H071 | H072 | 120.0° | 120.0° |
| H082 | C08 | H083 | H081 | 120.0° | 120.1° |
| H111 | C11 | C12 | H121 | 58.3° | 65.2° |
| H111 | C11 | C12 | H122 | 176.5° | 174.8° |
| H111 | C11 | C19 | H191 | 158.7° | 60.0° |
| H111 | C11 | N10 | H101 | 162.2° | 143.8° |
| H162 | C16 | N15 | H151 | 50.8° | 44.0° |
| H161 | C16 | N15 | H151 | 71.0° | 78.0° |
| H191 | C19 | N20 | H201 | 0.0° | 0.1° |
| H312 | C31 | H311 | H313 | 119.9° | 120.0° |
| H321 | C32 | C33 | H331 | 0.4° | 0.3° |
| H351 | C35 | H353 | H352 | 120.0° | 120.0° |
| H361 | C36 | C37 | H371 | 0.2° | 0.1° |
