A1IRS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | O01 | doub | 1.21Å | 1.21Å | |
| C04 | N03 | sing | 1.46Å | 1.43Å | |
| C06 | C05 | sing | 1.53Å | 1.53Å | |
| C07 | C06 | sing | 1.53Å | 1.50Å | |
| C08 | C07 | sing | 1.53Å | 1.54Å | |
| N09 | C08 | sing | 1.47Å | 1.46Å | |
| C05 | C04 | sing | 1.53Å | 1.55Å | |
| C10 | C04 | sing | 1.51Å | 1.52Å | |
| C12 | N11 | sing | 1.47Å | 1.47Å | |
| O14 | C13 | doub | 1.21Å | 1.25Å | |
| O15 | C13 | sing | 1.34Å | 1.27Å | |
| C13 | C12 | sing | 1.51Å | 1.52Å | |
| C16 | C12 | sing | 1.53Å | 1.56Å | |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| C18 | C17 | doub | 1.34Å | 1.39Å | Aromatic |
| N19 | C18 | sing | 1.37Å | 1.33Å | Aromatic |
| C20 | N19 | sing | 1.38Å | 1.34Å | Aromatic |
| C21 | C20 | doub | 1.41Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C23 | C22 | doub | 1.37Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C25 | C24 | doub | 1.38Å | 1.38Å | Aromatic |
| N11 | C10 | sing | 1.35Å | 1.43Å | |
| O26 | C10 | doub | 1.21Å | 1.16Å | |
| N03 | C02 | sing | 1.35Å | 1.49Å | |
| C27 | C02 | sing | 1.51Å | 1.50Å | |
| S28 | C27 | sing | 1.81Å | 1.83Å | |
| C29 | C27 | sing | 1.53Å | 1.50Å | |
| C30 | C29 | sing | 1.51Å | 1.53Å | |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.39Å | Aromatic |
| C35 | C34 | doub | 1.38Å | 1.36Å | Aromatic |
| C17 | C21 | sing | 1.46Å | 1.43Å | Aromatic |
| C20 | C25 | sing | 1.39Å | 1.42Å | Aromatic |
| C30 | C35 | sing | 1.38Å | 1.38Å | Aromatic |
| 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 | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | 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 | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N09 | H092 | sing | 1.01Å | 1.00Å | |
| N09 | H091 | sing | 1.01Å | 1.00Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| O15 | H2 | sing | 0.97Å | 0.95Å | |
| S28 | H281 | sing | 1.34Å | 1.30Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | C02 | N03 | 133.2° | 120.0° |
| O01 | C02 | C27 | 111.3° | 120.0° |
| N03 | C04 | C05 | 104.8° | 109.5° |
| N03 | C04 | C10 | 108.2° | 109.5° |
| C04 | N03 | C02 | 121.0° | 120.0° |
| N03 | C04 | H041 | 112.3° | 109.5° |
| C04 | N03 | H031 | 119.5° | 120.0° |
| C05 | C06 | C07 | 113.2° | 109.5° |
| C06 | C05 | C04 | 113.5° | 109.5° |
| C06 | C05 | H052 | 108.5° | 109.5° |
| C06 | C05 | H051 | 108.5° | 109.5° |
| C05 | C06 | H061 | 108.5° | 109.5° |
| C05 | C06 | H062 | 108.5° | 109.5° |
| C06 | C07 | C08 | 110.2° | 109.5° |
| C07 | C06 | H061 | 108.5° | 109.5° |
| C07 | C06 | H062 | 108.6° | 109.5° |
| C06 | C07 | H071 | 109.3° | 109.5° |
| C06 | C07 | H072 | 109.3° | 109.5° |
| C07 | C08 | N09 | 110.8° | 109.5° |
| C08 | C07 | H071 | 109.3° | 109.5° |
| C08 | C07 | H072 | 109.3° | 109.5° |
| C07 | C08 | H081 | 109.1° | 109.4° |
| C07 | C08 | H082 | 109.1° | 109.5° |
| N09 | C08 | H081 | 109.1° | 109.5° |
| N09 | C08 | H082 | 109.1° | 109.5° |
| C08 | N09 | H092 | 109.5° | 111.0° |
| C08 | N09 | H091 | 109.4° | 111.0° |
| C05 | C04 | C10 | 109.9° | 109.5° |
| C05 | C04 | H041 | 110.5° | 109.5° |
| C04 | C05 | H052 | 108.4° | 109.5° |
| C04 | C05 | H051 | 108.4° | 109.5° |
| C04 | C10 | N11 | 116.3° | 120.0° |
| C04 | C10 | O26 | 119.6° | 120.0° |
| C10 | C04 | H041 | 110.9° | 109.5° |
| N11 | C12 | C13 | 108.5° | 109.5° |
| N11 | C12 | C16 | 102.8° | 109.4° |
| C12 | N11 | C10 | 119.4° | 120.0° |
| N11 | C12 | H121 | 113.1° | 109.5° |
| C12 | N11 | H111 | 120.3° | 120.0° |
| O14 | C13 | O15 | 116.8° | 120.0° |
| O14 | C13 | C12 | 120.9° | 120.0° |
| O15 | C13 | C12 | 122.1° | 120.0° |
| C13 | O15 | H2 | 109.5° | 117.0° |
| C13 | C12 | C16 | 107.8° | 109.5° |
| C13 | C12 | H121 | 112.3° | 109.5° |
| C12 | C16 | C17 | 112.6° | 109.5° |
| C16 | C12 | H121 | 111.8° | 109.5° |
| C12 | C16 | H162 | 108.7° | 109.5° |
| C12 | C16 | H161 | 108.7° | 109.4° |
| C16 | C17 | C18 | 126.4° | 126.5° |
| C16 | C17 | C21 | 129.1° | 126.5° |
| C17 | C16 | H162 | 108.7° | 109.5° |
| C17 | C16 | H161 | 108.7° | 109.5° |
| C17 | C18 | N19 | 110.1° | 109.9° |
| C18 | C17 | C21 | 104.5° | 107.0° |
| C17 | C18 | H181 | 125.0° | 125.1° |
| C18 | N19 | C20 | 109.6° | 109.8° |
| N19 | C18 | H181 | 125.0° | 125.0° |
| C18 | N19 | H191 | 125.2° | 125.1° |
| N19 | C20 | C21 | 108.5° | 107.2° |
| N19 | C20 | C25 | 130.6° | 133.5° |
| C20 | N19 | H191 | 125.2° | 125.1° |
| C20 | C21 | C22 | 119.5° | 120.0° |
| C20 | C21 | C17 | 107.3° | 106.0° |
| C21 | C20 | C25 | 120.9° | 119.3° |
| C21 | C22 | C23 | 119.8° | 119.8° |
| C22 | C21 | C17 | 133.2° | 134.0° |
| C21 | C22 | H221 | 120.1° | 120.1° |
| C22 | C23 | C24 | 120.6° | 120.5° |
| C23 | C22 | H221 | 120.1° | 120.1° |
| C22 | C23 | H231 | 119.7° | 119.8° |
| C23 | C24 | C25 | 119.9° | 120.6° |
| C24 | C23 | H231 | 119.7° | 119.7° |
| C23 | C24 | H241 | 120.1° | 119.7° |
| C24 | C25 | C20 | 119.3° | 119.8° |
| C25 | C24 | H241 | 120.0° | 119.6° |
| C24 | C25 | H251 | 120.4° | 120.1° |
| N11 | C10 | O26 | 124.0° | 120.0° |
| C10 | N11 | H111 | 120.3° | 120.0° |
| N03 | C02 | C27 | 115.5° | 120.0° |
| C02 | N03 | H031 | 119.5° | 119.9° |
| C02 | C27 | S28 | 91.7° | 109.4° |
| C02 | C27 | C29 | 107.6° | 109.5° |
| C02 | C27 | H271 | 115.1° | 109.5° |
| S28 | C27 | C29 | 114.9° | 109.5° |
| S28 | C27 | H271 | 110.3° | 109.5° |
| C27 | S28 | H281 | 102.0° | 103.0° |
| C27 | C29 | C30 | 112.2° | 109.5° |
| C29 | C27 | H271 | 115.0° | 109.5° |
| C27 | C29 | H291 | 108.8° | 109.5° |
| C27 | C29 | H292 | 108.8° | 109.4° |
| C29 | C30 | C31 | 120.0° | 120.0° |
| C29 | C30 | C35 | 120.9° | 120.0° |
| C30 | C29 | H291 | 108.8° | 109.5° |
| C30 | C29 | H292 | 108.8° | 109.5° |
| C30 | C31 | C32 | 119.8° | 120.0° |
| C31 | C30 | C35 | 119.1° | 120.0° |
| C30 | C31 | H311 | 120.1° | 120.0° |
| C31 | C32 | C33 | 120.1° | 120.0° |
| C32 | C31 | H311 | 120.1° | 120.0° |
| C31 | C32 | H321 | 119.9° | 120.0° |
| C32 | C33 | C34 | 119.2° | 120.0° |
| C33 | C32 | H321 | 120.0° | 120.0° |
| C32 | C33 | H331 | 120.4° | 120.0° |
| C33 | C34 | C35 | 120.2° | 120.0° |
| C34 | C33 | H331 | 120.4° | 120.0° |
| C33 | C34 | H341 | 119.9° | 120.0° |
| C34 | C35 | C30 | 121.4° | 120.0° |
| C35 | C34 | H341 | 119.9° | 119.9° |
| C34 | C35 | H351 | 119.3° | 120.0° |
| C20 | C25 | H251 | 120.3° | 120.1° |
| C30 | C35 | H351 | 119.3° | 120.0° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.4° | 109.5° |
| H291 | C29 | H292 | 109.4° | 109.4° |
| H092 | N09 | H091 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | C02 | N03 | C04 | 0.5° | 0.0° |
| O01 | C02 | N03 | C27 | 177.8° | 179.7° |
| O01 | C02 | C27 | S28 | 76.1° | 85.0° |
| O01 | C02 | C27 | C29 | 40.8° | 35.0° |
| O01 | C02 | C27 | H271 | 170.5° | 155.0° |
| O01 | C02 | N03 | H031 | 179.5° | 180.0° |
| N03 | C04 | C05 | C06 | 179.3° | 65.0° |
| N03 | C04 | C05 | C10 | 116.1° | 120.0° |
| N03 | C04 | C05 | H041 | 121.1° | 120.0° |
| N03 | C04 | C10 | H041 | 123.6° | 120.0° |
| N03 | C04 | C10 | N11 | 159.2° | 180.0° |
| N03 | C04 | C10 | O26 | 23.1° | 0.0° |
| C04 | N03 | C02 | H031 | 180.0° | 180.0° |
| C04 | N03 | C02 | C27 | 178.4° | 179.7° |
| N03 | C04 | C05 | H052 | 58.7° | 55.0° |
| N03 | C04 | C05 | H051 | 60.1° | 175.0° |
| C05 | C06 | C07 | H061 | 120.5° | 120.0° |
| C05 | C06 | C07 | H062 | 120.5° | 120.0° |
| C05 | C06 | C07 | C08 | 164.6° | 180.0° |
| C06 | C05 | C04 | H052 | 120.6° | 120.0° |
| C06 | C05 | C04 | H051 | 120.6° | 120.0° |
| C06 | C05 | C04 | C10 | 63.3° | 175.0° |
| C06 | C05 | C04 | H041 | 59.5° | 55.0° |
| C06 | C05 | H052 | H051 | 118.2° | 120.0° |
| C05 | C06 | H061 | H062 | 118.3° | 120.0° |
| C05 | C06 | C07 | H071 | 75.3° | 60.0° |
| C05 | C06 | C07 | H072 | 44.5° | 60.0° |
| C06 | C07 | C08 | H071 | 120.1° | 120.0° |
| C06 | C07 | C08 | H072 | 120.1° | 120.0° |
| C06 | C07 | C08 | N09 | 177.9° | 180.0° |
| C07 | C06 | C05 | C04 | 162.4° | 180.0° |
| C07 | C06 | C05 | H052 | 41.8° | 60.0° |
| C07 | C06 | C05 | H051 | 77.0° | 60.0° |
| C07 | C06 | H061 | H062 | 118.3° | 120.0° |
| C06 | C07 | H071 | H072 | 119.7° | 120.0° |
| C06 | C07 | C08 | H081 | 61.9° | 60.0° |
| C06 | C07 | C08 | H082 | 57.7° | 60.0° |
| C07 | C08 | N09 | H081 | 120.2° | 119.9° |
| C07 | C08 | N09 | H082 | 120.2° | 120.0° |
| C08 | C07 | C06 | H061 | 44.0° | 60.0° |
| C08 | C07 | C06 | H062 | 74.9° | 60.0° |
| C08 | C07 | H071 | H072 | 119.7° | 120.0° |
| C07 | C08 | H081 | H082 | 119.4° | 120.0° |
| C07 | C08 | N09 | H092 | 180.0° | 179.9° |
| C07 | C08 | N09 | H091 | 60.0° | 56.1° |
| N09 | C08 | C07 | H071 | 57.8° | 60.0° |
| N09 | C08 | C07 | H072 | 62.0° | 60.0° |
| N09 | C08 | H081 | H082 | 119.4° | 120.0° |
| C08 | N09 | H092 | H091 | 120.0° | 123.9° |
| C05 | C04 | C10 | H041 | 122.5° | 120.0° |
| C05 | C04 | C10 | N11 | 86.9° | 60.0° |
| C05 | C04 | C10 | O26 | 90.8° | 120.0° |
| C05 | C04 | N03 | C02 | 175.0° | 85.0° |
| C04 | C05 | H052 | H051 | 118.1° | 120.0° |
| C04 | C05 | C06 | H061 | 41.8° | 59.9° |
| C04 | C05 | C06 | H062 | 77.1° | 60.0° |
| C05 | C04 | N03 | H031 | 5.0° | 95.0° |
| C04 | C10 | N11 | C12 | 171.6° | 180.0° |
| C04 | C10 | N11 | O26 | 177.6° | 180.0° |
| C10 | C04 | N03 | C02 | 67.7° | 155.0° |
| C10 | C04 | C05 | H052 | 57.4° | 65.0° |
| C10 | C04 | C05 | H051 | 176.1° | 55.0° |
| C10 | C04 | N03 | H031 | 112.3° | 25.0° |
| C04 | C10 | N11 | H111 | 8.4° | 0.0° |
| N11 | C12 | C13 | O14 | 179.3° | 0.0° |
| N11 | C12 | C13 | O15 | 4.9° | 180.0° |
| N11 | C12 | C13 | C16 | 110.6° | 120.0° |
| N11 | C12 | C13 | H121 | 125.8° | 120.0° |
| N11 | C12 | C16 | H121 | 121.6° | 120.0° |
| N11 | C12 | C16 | C17 | 48.5° | 65.0° |
| C12 | N11 | C10 | H111 | 180.0° | 180.0° |
| C12 | N11 | C10 | O26 | 6.0° | 0.0° |
| N11 | C12 | C16 | H162 | 169.0° | 55.0° |
| N11 | C12 | C16 | H161 | 71.9° | 175.0° |
| O14 | C13 | O15 | C12 | 174.7° | 180.0° |
| O14 | C13 | C12 | C16 | 70.1° | 120.0° |
| O14 | C13 | C12 | H121 | 53.5° | 120.0° |
| O14 | C13 | O15 | H2 | 0.0° | 0.0° |
| O15 | C13 | C12 | C16 | 115.5° | 60.0° |
| O15 | C13 | C12 | H121 | 120.9° | 60.0° |
| C13 | C12 | C16 | H121 | 123.9° | 120.0° |
| C13 | C12 | C16 | C17 | 66.0° | 175.0° |
| C13 | C12 | N11 | C10 | 68.6° | 85.0° |
| C13 | C12 | C16 | H162 | 54.5° | 65.0° |
| C13 | C12 | C16 | H161 | 173.6° | 55.0° |
| C13 | C12 | N11 | H111 | 111.4° | 95.0° |
| C12 | C13 | O15 | H2 | 174.7° | 180.0° |
| C12 | C16 | C17 | H162 | 120.5° | 120.0° |
| C12 | C16 | C17 | H161 | 120.5° | 120.0° |
| C12 | C16 | C17 | C18 | 82.2° | 94.6° |
| C16 | C12 | N11 | C10 | 177.4° | 155.0° |
| C12 | C16 | C17 | C21 | 95.1° | 85.0° |
| C12 | C16 | H162 | H161 | 118.6° | 120.0° |
| C16 | C12 | N11 | H111 | 2.6° | 25.0° |
| C16 | C17 | C18 | C21 | 177.8° | 179.7° |
| C16 | C17 | C18 | N19 | 178.0° | 180.0° |
| C16 | C17 | C21 | C20 | 178.0° | 180.0° |
| C16 | C17 | C21 | C22 | 2.1° | 0.1° |
| C17 | C16 | C12 | H121 | 170.2° | 55.0° |
| C17 | C16 | H162 | H161 | 118.5° | 120.0° |
| C16 | C17 | C18 | H181 | 1.9° | 0.1° |
| C17 | C18 | N19 | H181 | 180.0° | 180.0° |
| C17 | C18 | N19 | C20 | 0.0° | 0.2° |
| C18 | C17 | C21 | C20 | 0.3° | 0.2° |
| C18 | C17 | C21 | C22 | 179.9° | 179.8° |
| C18 | C17 | C16 | H162 | 38.2° | 145.3° |
| C18 | C17 | C16 | H161 | 157.3° | 25.3° |
| C17 | C18 | N19 | H191 | 180.0° | 179.9° |
| C18 | N19 | C20 | H191 | 180.0° | 179.9° |
| C18 | N19 | C20 | C21 | 0.2° | 0.0° |
| N19 | C18 | C17 | C21 | 0.2° | 0.2° |
| C18 | N19 | C20 | C25 | 179.6° | 179.8° |
| N19 | C20 | C21 | C25 | 179.8° | 179.9° |
| N19 | C20 | C21 | C22 | 179.8° | 179.9° |
| N19 | C20 | C25 | C24 | 179.3° | 179.8° |
| N19 | C20 | C21 | C17 | 0.3° | 0.2° |
| C20 | N19 | C18 | H181 | 180.0° | 179.9° |
| N19 | C20 | C25 | H251 | 0.7° | 0.0° |
| C20 | C21 | C22 | C17 | 179.8° | 180.0° |
| C20 | C21 | C22 | C23 | 0.7° | 0.0° |
| C21 | C20 | C25 | C24 | 1.0° | 0.0° |
| C20 | C21 | C22 | H221 | 179.2° | 179.9° |
| C21 | C20 | C25 | H251 | 179.0° | 179.8° |
| C21 | C20 | N19 | H191 | 179.8° | 179.9° |
| C21 | C22 | C23 | H221 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 1.7° | 0.0° |
| C22 | C21 | C20 | C25 | 0.4° | 0.0° |
| C21 | C22 | C23 | H231 | 178.3° | 180.0° |
| C22 | C23 | C24 | H231 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 2.3° | 0.1° |
| C23 | C22 | C21 | C17 | 179.1° | 180.0° |
| C22 | C23 | C24 | H241 | 177.7° | 180.0° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C23 | C24 | C25 | C20 | 1.9° | 0.0° |
| C24 | C23 | C22 | H221 | 178.3° | 179.9° |
| C23 | C24 | C25 | H251 | 178.0° | 179.9° |
| C24 | C25 | C20 | H251 | 180.0° | 179.8° |
| C25 | C24 | C23 | H231 | 177.7° | 180.0° |
| N11 | C10 | C04 | H041 | 35.7° | 60.1° |
| C10 | N11 | C12 | H121 | 56.7° | 35.0° |
| O26 | C10 | C04 | H041 | 146.6° | 120.0° |
| O26 | C10 | N11 | H111 | 174.0° | 180.0° |
| N03 | C02 | C27 | S28 | 102.2° | 95.3° |
| N03 | C02 | C27 | C29 | 140.9° | 144.7° |
| C02 | N03 | C04 | H041 | 55.1° | 35.0° |
| N03 | C02 | C27 | H271 | 11.2° | 24.7° |
| C02 | C27 | S28 | C29 | 110.4° | 120.0° |
| C02 | C27 | S28 | H271 | 117.6° | 120.0° |
| C02 | C27 | C29 | H271 | 129.7° | 120.0° |
| C02 | C27 | C29 | C30 | 136.7° | 175.0° |
| C02 | C27 | C29 | H291 | 102.9° | 65.0° |
| C02 | C27 | C29 | H292 | 16.3° | 55.0° |
| C27 | C02 | N03 | H031 | 1.6° | 0.3° |
| C02 | C27 | S28 | H281 | 29.4° | 60.0° |
| S28 | C27 | C29 | H271 | 129.8° | 120.0° |
| S28 | C27 | C29 | C30 | 122.8° | 65.0° |
| S28 | C27 | C29 | H291 | 2.4° | 55.0° |
| S28 | C27 | C29 | H292 | 116.8° | 174.9° |
| C27 | C29 | C30 | H291 | 120.4° | 120.0° |
| C27 | C29 | C30 | H292 | 120.4° | 120.0° |
| C27 | C29 | C30 | C31 | 133.0° | 89.7° |
| C27 | C29 | C30 | C35 | 48.2° | 90.0° |
| C27 | C29 | H291 | H292 | 118.8° | 120.0° |
| C29 | C27 | S28 | H281 | 80.9° | 60.0° |
| C29 | C30 | C31 | C35 | 178.9° | 179.7° |
| C29 | C30 | C31 | C32 | 179.4° | 180.0° |
| C29 | C30 | C35 | C34 | 178.4° | 179.7° |
| C30 | C29 | C27 | H271 | 6.9° | 55.0° |
| C30 | C29 | H291 | H292 | 118.8° | 120.0° |
| C29 | C30 | C31 | H311 | 0.6° | 0.0° |
| C29 | C30 | C35 | H351 | 1.6° | 0.0° |
| C30 | C31 | C32 | H311 | 180.0° | 179.9° |
| C30 | C31 | C32 | C33 | 0.9° | 0.1° |
| C31 | C30 | C35 | C34 | 2.8° | 0.6° |
| C31 | C30 | C29 | H291 | 12.5° | 150.3° |
| C31 | C30 | C29 | H292 | 106.6° | 30.3° |
| C30 | C31 | C32 | H321 | 179.1° | 180.0° |
| C31 | C30 | C35 | H351 | 177.2° | 179.7° |
| C31 | C32 | C33 | H321 | 180.0° | 180.0° |
| C31 | C32 | C33 | C34 | 1.0° | 0.1° |
| C32 | C31 | C30 | C35 | 1.7° | 0.3° |
| C31 | C32 | C33 | H331 | 179.0° | 180.0° |
| C32 | C33 | C34 | H331 | 180.0° | 179.9° |
| C32 | C33 | C34 | C35 | 2.0° | 0.3° |
| C33 | C32 | C31 | H311 | 179.1° | 180.0° |
| C32 | C33 | C34 | H341 | 178.0° | 180.0° |
| C33 | C34 | C35 | H341 | 180.0° | 179.7° |
| C33 | C34 | C35 | C30 | 2.9° | 0.6° |
| C34 | C33 | C32 | H321 | 179.0° | 180.0° |
| C33 | C34 | C35 | H351 | 177.1° | 179.7° |
| C34 | C35 | C30 | H351 | 180.0° | 179.7° |
| C35 | C34 | C33 | H331 | 178.0° | 179.7° |
| C17 | C21 | C20 | C25 | 179.5° | 180.0° |
| C21 | C17 | C16 | H162 | 144.5° | 35.0° |
| C21 | C17 | C16 | H161 | 25.4° | 155.0° |
| C21 | C17 | C18 | H181 | 179.8° | 179.8° |
| C17 | C21 | C22 | H221 | 0.9° | 0.1° |
| C20 | C25 | C24 | H241 | 178.1° | 180.0° |
| C25 | C20 | N19 | H191 | 0.4° | 0.1° |
| C35 | C30 | C29 | H291 | 168.6° | 30.0° |
| C35 | C30 | C29 | H292 | 72.2° | 150.0° |
| C35 | C30 | C31 | H311 | 178.3° | 179.7° |
| C30 | C35 | C34 | H341 | 177.1° | 179.7° |
| H041 | C04 | C05 | H052 | 179.8° | 175.0° |
| H041 | C04 | C05 | H051 | 61.1° | 65.0° |
| H041 | C04 | N03 | H031 | 124.9° | 145.0° |
| H052 | C05 | C06 | H061 | 78.8° | 180.0° |
| H052 | C05 | C06 | H062 | 162.3° | 60.0° |
| H051 | C05 | C06 | H061 | 162.4° | 60.0° |
| H051 | C05 | C06 | H062 | 43.5° | 180.0° |
| H061 | C06 | C07 | H071 | 164.1° | 180.0° |
| H061 | C06 | C07 | H072 | 76.1° | 60.0° |
| H062 | C06 | C07 | H071 | 45.2° | 60.0° |
| H062 | C06 | C07 | H072 | 165.0° | NaN° |
| H071 | C07 | C08 | H081 | 178.0° | 180.0° |
| H071 | C07 | C08 | H082 | 62.4° | 60.0° |
| H072 | C07 | C08 | H081 | 58.2° | 60.0° |
| H072 | C07 | C08 | H082 | 177.8° | 180.0° |
| H081 | C08 | N09 | H092 | 59.8° | 60.1° |
| H081 | C08 | N09 | H091 | 179.8° | 176.0° |
| H082 | C08 | N09 | H092 | 59.8° | 59.9° |
| H082 | C08 | N09 | H091 | 60.2° | 64.0° |
| H121 | C12 | C16 | H162 | 69.3° | 175.0° |
| H121 | C12 | C16 | H161 | 49.7° | 65.0° |
| H121 | C12 | N11 | H111 | 123.3° | 145.0° |
| H181 | C18 | N19 | H191 | 0.1° | 0.0° |
| H221 | C22 | C23 | H231 | 1.8° | 0.0° |
| H231 | C23 | C24 | H241 | 2.3° | 0.0° |
| H241 | C24 | C25 | H251 | 2.0° | 0.2° |
| H271 | C27 | C29 | H291 | 127.4° | 175.0° |
| H271 | C27 | C29 | H292 | 113.5° | 65.0° |
| H271 | C27 | S28 | H281 | 147.1° | 180.0° |
| H311 | C31 | C32 | H321 | 0.9° | 0.0° |
| H321 | C32 | C33 | H331 | 1.0° | 0.1° |
| H331 | C33 | C34 | H341 | 2.0° | 0.1° |
| H341 | C34 | C35 | H351 | 2.9° | 0.0° |
