A1JSC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C02 | C01 | sing | 1.53Å | 1.54Å | |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| C04 | C02 | sing | 1.53Å | 1.57Å | |
| N05 | C04 | sing | 1.47Å | 1.48Å | |
| C07 | C06 | sing | 1.53Å | 1.58Å | |
| C08 | C07 | sing | 1.53Å | 1.54Å | |
| C09 | C08 | sing | 1.53Å | 1.52Å | |
| C10 | C09 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| N12 | C11 | sing | 1.47Å | 1.48Å | |
| C06 | N05 | sing | 1.46Å | 1.50Å | |
| C13 | N05 | sing | 1.35Å | 1.43Å | |
| O14 | C13 | doub | 1.21Å | 1.21Å | |
| C15 | C13 | sing | 1.51Å | 1.54Å | |
| C16 | C15 | sing | 1.51Å | 1.53Å | |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| N21 | C20 | sing | 1.47Å | 1.49Å | |
| C22 | N21 | sing | 1.35Å | 1.41Å | |
| O23 | C22 | doub | 1.21Å | 1.22Å | |
| C24 | C22 | sing | 1.49Å | 1.55Å | |
| C25 | C24 | doub | 1.39Å | 1.37Å | |
| C26 | C25 | sing | 1.40Å | 1.45Å | |
| O27 | C26 | doub | 1.22Å | 1.22Å | |
| N28 | C26 | sing | 1.35Å | 1.45Å | |
| C29 | N28 | sing | 1.36Å | 1.41Å | |
| C30 | C29 | doub | 1.35Å | 1.36Å | |
| C31 | C30 | sing | 1.40Å | 1.43Å | |
| C32 | C31 | doub | 1.36Å | 1.36Å | |
| C33 | C32 | sing | 1.41Å | 1.45Å | |
| N34 | C33 | doub | 1.33Å | 1.34Å | |
| C20 | C19 | sing | 1.51Å | 1.54Å | |
| C35 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C07 | N12 | sing | 1.47Å | 1.48Å | |
| C16 | C36 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | N34 | sing | 1.33Å | 1.39Å | |
| N28 | C33 | sing | 1.37Å | 1.41Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| N12 | H1 | sing | 1.01Å | 1.00Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | 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 | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 110.0° | 109.5° |
| C01 | C02 | C04 | 113.7° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C01 | C02 | H021 | 107.6° | 109.5° |
| C03 | C02 | C04 | 110.4° | 109.5° |
| C03 | C02 | H021 | 107.6° | 109.4° |
| C02 | C03 | H031 | 109.5° | 109.4° |
| C02 | C03 | H032 | 109.5° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.5° |
| C02 | C04 | N05 | 116.8° | 109.5° |
| C04 | C02 | H021 | 107.3° | 109.4° |
| C02 | C04 | H041 | 107.6° | 109.5° |
| C02 | C04 | H042 | 107.6° | 109.5° |
| C04 | N05 | C06 | 117.8° | 120.0° |
| C04 | N05 | C13 | 120.8° | 120.0° |
| N05 | C04 | H041 | 107.6° | 109.5° |
| N05 | C04 | H042 | 107.6° | 109.5° |
| C06 | C07 | C08 | 113.8° | 109.4° |
| C07 | C06 | N05 | 113.8° | 109.5° |
| C06 | C07 | N12 | 115.0° | 109.4° |
| C07 | C06 | H061 | 108.4° | 109.5° |
| C07 | C06 | H062 | 108.4° | 109.4° |
| C06 | C07 | H071 | 106.1° | 109.5° |
| C07 | C08 | C09 | 113.2° | 109.3° |
| C08 | C07 | N12 | 107.6° | 109.5° |
| C08 | C07 | H071 | 106.5° | 109.5° |
| C07 | C08 | H081 | 108.5° | 109.4° |
| C07 | C08 | H082 | 108.5° | 109.5° |
| C08 | C09 | C10 | 112.4° | 109.1° |
| C09 | C08 | H081 | 108.5° | 109.5° |
| C09 | C08 | H082 | 108.5° | 109.6° |
| C08 | C09 | H091 | 108.7° | 109.6° |
| C08 | C09 | H092 | 108.8° | 109.5° |
| C09 | C10 | C11 | 112.9° | 109.3° |
| C09 | C10 | H101 | 108.6° | 109.5° |
| C09 | C10 | H102 | 108.6° | 109.5° |
| C10 | C09 | H091 | 108.7° | 109.5° |
| C10 | C09 | H092 | 108.7° | 109.5° |
| C10 | C11 | N12 | 112.6° | 109.5° |
| C11 | C10 | H101 | 108.6° | 109.5° |
| C11 | C10 | H102 | 108.6° | 109.6° |
| C10 | C11 | H111 | 108.7° | 109.5° |
| C10 | C11 | H112 | 108.7° | 109.5° |
| C11 | N12 | C07 | 109.1° | 111.2° |
| C11 | N12 | H1 | 109.6° | 111.0° |
| N12 | C11 | H111 | 108.7° | 109.5° |
| N12 | C11 | H112 | 108.7° | 109.4° |
| C06 | N05 | C13 | 121.4° | 120.0° |
| N05 | C06 | H061 | 108.4° | 109.5° |
| N05 | C06 | H062 | 108.4° | 109.5° |
| N05 | C13 | O14 | 120.2° | 120.0° |
| N05 | C13 | C15 | 120.8° | 120.0° |
| O14 | C13 | C15 | 119.0° | 120.0° |
| C13 | C15 | C16 | 118.8° | 109.5° |
| C13 | C15 | H151 | 107.1° | 109.5° |
| C13 | C15 | H152 | 107.1° | 109.4° |
| C15 | C16 | C17 | 123.9° | 120.0° |
| C15 | C16 | C36 | 121.8° | 120.0° |
| C16 | C15 | H151 | 107.1° | 109.5° |
| C16 | C15 | H152 | 107.1° | 109.4° |
| C16 | C17 | C18 | 122.6° | 120.0° |
| C17 | C16 | C36 | 114.3° | 120.0° |
| C16 | C17 | H171 | 118.7° | 120.0° |
| C17 | C18 | C19 | 123.2° | 120.0° |
| C18 | C17 | H171 | 118.7° | 120.0° |
| C17 | C18 | H181 | 118.4° | 120.0° |
| C18 | C19 | C20 | 121.4° | 120.0° |
| C18 | C19 | C35 | 114.1° | 120.0° |
| C19 | C18 | H181 | 118.4° | 120.0° |
| C20 | N21 | C22 | 127.0° | 120.0° |
| N21 | C20 | C19 | 111.2° | 109.4° |
| N21 | C20 | H201 | 109.0° | 109.5° |
| N21 | C20 | H202 | 109.0° | 109.5° |
| C20 | N21 | H211 | 116.5° | 120.0° |
| N21 | C22 | O23 | 121.3° | 120.0° |
| N21 | C22 | C24 | 120.5° | 120.0° |
| C22 | N21 | H211 | 116.5° | 120.0° |
| O23 | C22 | C24 | 118.0° | 120.0° |
| C22 | C24 | C25 | 123.1° | 120.1° |
| C22 | C24 | N34 | 115.8° | 120.1° |
| C24 | C25 | C26 | 121.3° | 118.7° |
| C25 | C24 | N34 | 121.2° | 119.9° |
| C24 | C25 | H251 | 119.4° | 120.7° |
| C25 | C26 | O27 | 125.9° | 120.5° |
| C25 | C26 | N28 | 116.5° | 119.0° |
| C26 | C25 | H251 | 119.3° | 120.6° |
| O27 | C26 | N28 | 117.6° | 120.5° |
| C26 | N28 | C29 | 121.2° | 119.5° |
| C26 | N28 | C33 | 117.7° | 120.0° |
| N28 | C29 | C30 | 121.8° | 120.8° |
| C29 | N28 | C33 | 121.1° | 120.4° |
| N28 | C29 | H291 | 119.1° | 119.6° |
| C29 | C30 | C31 | 118.9° | 120.2° |
| C30 | C29 | H291 | 119.1° | 119.6° |
| C29 | C30 | H301 | 120.6° | 119.9° |
| C30 | C31 | C32 | 120.2° | 119.5° |
| C31 | C30 | H301 | 120.6° | 119.9° |
| C30 | C31 | H311 | 119.9° | 120.3° |
| C31 | C32 | C33 | 122.5° | 119.5° |
| C32 | C31 | H311 | 119.9° | 120.2° |
| C31 | C32 | H321 | 118.7° | 120.3° |
| C32 | C33 | N34 | 120.4° | 119.4° |
| C32 | C33 | N28 | 115.5° | 119.6° |
| C33 | C32 | H321 | 118.8° | 120.3° |
| C33 | N34 | C24 | 119.3° | 121.3° |
| N34 | C33 | N28 | 124.1° | 121.0° |
| C20 | C19 | C35 | 123.5° | 120.0° |
| C19 | C20 | H201 | 109.0° | 109.5° |
| C19 | C20 | H202 | 109.1° | 109.5° |
| C19 | C35 | C36 | 122.6° | 120.0° |
| C19 | C35 | H351 | 118.7° | 120.0° |
| C35 | C36 | C16 | 122.8° | 120.0° |
| C36 | C35 | H351 | 118.7° | 120.0° |
| C35 | C36 | H361 | 118.6° | 120.0° |
| C07 | N12 | H1 | 109.5° | 111.0° |
| N12 | C07 | H071 | 107.3° | 109.5° |
| C16 | C36 | H361 | 118.6° | 120.0° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| H151 | C15 | H152 | 109.4° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H031 | C03 | H033 | 109.4° | 109.4° |
| H032 | C03 | H033 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.4° | 109.4° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.6° |
| H091 | C09 | H092 | 109.5° | 109.6° |
| H111 | C11 | H112 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | C04 | 126.3° | 120.0° |
| C01 | C02 | C03 | H021 | 116.9° | 120.0° |
| C01 | C02 | C04 | H021 | 118.8° | 120.0° |
| C01 | C02 | C04 | N05 | 62.5° | 65.0° |
| C02 | C01 | H011 | H012 | 120.0° | 119.9° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 180.0° | 60.0° |
| C01 | C02 | C03 | H032 | 60.0° | 180.0° |
| C01 | C02 | C03 | H033 | 60.0° | 60.0° |
| C01 | C02 | C04 | H041 | 58.6° | 175.0° |
| C01 | C02 | C04 | H042 | 176.4° | 55.0° |
| C03 | C02 | C04 | H021 | 117.0° | 119.9° |
| C03 | C02 | C04 | N05 | 173.3° | 175.0° |
| C03 | C02 | C01 | H011 | 180.0° | 60.0° |
| C03 | C02 | C01 | H012 | 60.0° | 180.0° |
| C03 | C02 | C01 | H013 | 60.0° | 60.0° |
| C02 | C03 | H031 | H032 | 120.0° | 120.0° |
| C02 | C03 | H031 | H033 | 120.0° | 120.0° |
| C02 | C03 | H032 | H033 | 120.0° | 120.1° |
| C03 | C02 | C04 | H041 | 65.6° | 54.9° |
| C03 | C02 | C04 | H042 | 52.2° | 65.0° |
| C02 | C04 | N05 | H041 | 121.1° | 120.1° |
| C02 | C04 | N05 | H042 | 121.1° | 120.0° |
| C02 | C04 | N05 | C06 | 93.3° | 90.0° |
| C02 | C04 | N05 | C13 | 83.7° | 90.0° |
| C04 | C02 | C01 | H011 | 55.6° | 180.0° |
| C04 | C02 | C01 | H012 | 175.6° | 60.0° |
| C04 | C02 | C01 | H013 | 64.4° | 60.0° |
| C04 | C02 | C03 | H031 | 53.7° | 60.1° |
| C04 | C02 | C03 | H032 | 66.3° | 59.9° |
| C04 | C02 | C03 | H033 | 173.7° | 180.0° |
| C02 | C04 | H041 | H042 | 116.6° | 120.0° |
| C04 | N05 | C06 | C07 | 111.3° | 90.0° |
| C04 | N05 | C06 | C13 | 177.0° | 180.0° |
| C04 | N05 | C13 | O14 | 178.7° | 180.0° |
| C04 | N05 | C13 | C15 | 2.6° | 0.0° |
| N05 | C04 | C02 | H021 | 56.3° | 55.0° |
| N05 | C04 | H041 | H042 | 116.7° | 119.9° |
| C04 | N05 | C06 | H061 | 9.4° | 150.0° |
| C04 | N05 | C06 | H062 | 128.1° | 29.9° |
| C06 | C07 | C08 | N12 | 128.6° | 119.9° |
| C06 | C07 | C08 | H071 | 116.6° | 120.0° |
| C06 | C07 | C08 | C09 | 172.5° | 179.2° |
| C06 | C07 | N12 | C11 | 166.8° | 178.2° |
| C07 | C06 | N05 | H061 | 120.6° | 120.0° |
| C07 | C06 | N05 | H062 | 120.6° | 120.0° |
| C07 | C06 | N05 | C13 | 71.8° | 90.0° |
| C06 | C07 | N12 | H071 | 117.7° | 120.0° |
| C06 | C07 | N12 | H1 | 46.9° | 54.2° |
| C07 | C06 | H061 | H062 | 118.0° | 119.9° |
| C06 | C07 | C08 | H081 | 52.0° | 61.0° |
| C06 | C07 | C08 | H082 | 66.9° | 59.2° |
| C07 | C08 | C09 | H081 | 120.5° | 119.8° |
| C07 | C08 | C09 | H082 | 120.5° | 120.0° |
| C07 | C08 | C09 | C10 | 47.1° | 57.7° |
| C08 | C07 | N12 | C11 | 65.2° | 61.8° |
| C08 | C07 | C06 | N05 | 131.5° | 175.0° |
| C08 | C07 | N12 | H071 | 114.3° | 120.0° |
| C08 | C07 | N12 | H1 | 174.9° | 174.2° |
| C08 | C07 | C06 | H061 | 10.8° | 55.0° |
| C08 | C07 | C06 | H062 | 107.9° | 65.0° |
| C07 | C08 | H081 | H082 | 118.3° | 120.1° |
| C07 | C08 | C09 | H091 | 73.4° | 177.6° |
| C07 | C08 | C09 | H092 | 167.5° | 62.2° |
| C08 | C09 | C10 | H091 | 120.4° | 119.9° |
| C08 | C09 | C10 | H092 | 120.5° | 119.9° |
| C08 | C09 | C10 | C11 | 41.4° | 57.7° |
| C09 | C08 | C07 | N12 | 58.8° | 59.3° |
| C08 | C09 | C10 | H101 | 161.9° | 177.6° |
| C08 | C09 | C10 | H102 | 79.2° | 62.4° |
| C09 | C08 | C07 | H071 | 56.0° | 60.8° |
| C09 | C08 | H081 | H082 | 118.3° | 120.2° |
| C08 | C09 | H091 | H092 | 118.7° | 120.2° |
| C09 | C10 | C11 | H101 | 120.5° | 120.0° |
| C09 | C10 | C11 | H102 | 120.5° | 120.0° |
| C09 | C10 | C11 | N12 | 49.5° | 59.2° |
| C09 | C10 | H101 | H102 | 118.4° | 120.1° |
| C10 | C09 | C08 | H081 | 167.6° | 177.5° |
| C10 | C09 | C08 | H082 | 73.5° | 62.3° |
| C10 | C09 | H091 | H092 | 118.7° | 120.1° |
| C09 | C10 | C11 | H111 | 71.0° | 60.8° |
| C09 | C10 | C11 | H112 | 170.0° | 179.2° |
| C10 | C11 | N12 | H111 | 120.5° | 120.0° |
| C10 | C11 | N12 | H112 | 120.5° | 120.0° |
| C10 | C11 | N12 | C07 | 62.2° | 61.8° |
| C11 | C10 | H101 | H102 | 118.5° | 120.1° |
| C10 | C11 | N12 | H1 | 177.8° | 174.2° |
| C11 | C10 | C09 | H091 | 79.1° | 177.6° |
| C11 | C10 | C09 | H092 | 161.8° | 62.2° |
| C10 | C11 | H111 | H112 | 118.6° | 120.0° |
| C11 | N12 | C07 | H1 | 120.0° | 124.0° |
| N12 | C11 | C10 | H101 | 170.0° | 179.2° |
| N12 | C11 | C10 | H102 | 71.0° | 60.8° |
| C11 | N12 | C07 | H071 | 49.1° | 58.2° |
| N12 | C11 | H111 | H112 | 118.6° | 120.0° |
| C06 | N05 | C13 | O14 | 1.8° | 0.0° |
| C06 | N05 | C13 | C15 | 179.5° | 180.0° |
| N05 | C06 | C07 | N12 | 6.7° | 55.0° |
| C06 | N05 | C04 | H041 | 27.7° | 150.0° |
| C06 | N05 | C04 | H042 | 145.6° | 30.1° |
| N05 | C06 | H061 | H062 | 118.0° | 120.0° |
| N05 | C06 | C07 | H071 | 111.7° | 65.0° |
| N05 | C13 | O14 | C15 | 178.7° | 179.9° |
| N05 | C13 | C15 | C16 | 165.0° | 180.0° |
| N05 | C13 | C15 | H151 | 73.6° | 60.0° |
| N05 | C13 | C15 | H152 | 43.7° | 60.1° |
| C13 | N05 | C04 | H041 | 155.3° | 30.1° |
| C13 | N05 | C04 | H042 | 37.4° | 150.0° |
| C13 | N05 | C06 | H061 | 167.6° | 30.0° |
| C13 | N05 | C06 | H062 | 48.9° | 150.0° |
| O14 | C13 | C15 | C16 | 16.3° | 0.1° |
| O14 | C13 | C15 | H151 | 105.1° | 120.0° |
| O14 | C13 | C15 | H152 | 137.6° | 120.0° |
| C13 | C15 | C16 | H151 | 121.3° | 120.0° |
| C13 | C15 | C16 | H152 | 121.3° | 119.9° |
| C13 | C15 | C16 | C17 | 89.9° | 90.0° |
| C13 | C15 | C16 | C36 | 89.5° | 90.0° |
| C13 | C15 | H151 | H152 | 115.8° | 120.0° |
| C15 | C16 | C17 | C36 | 179.4° | 180.0° |
| C15 | C16 | C17 | C18 | 179.8° | 179.7° |
| C15 | C16 | C36 | C35 | 179.0° | 179.4° |
| C16 | C15 | H151 | H152 | 115.7° | 120.0° |
| C15 | C16 | C17 | H171 | 0.2° | 0.0° |
| C15 | C16 | C36 | H361 | 1.0° | 0.1° |
| C16 | C17 | C18 | H171 | 180.0° | 179.8° |
| C16 | C17 | C18 | C19 | 3.2° | 0.1° |
| C17 | C16 | C36 | C35 | 1.6° | 0.6° |
| C17 | C16 | C15 | H151 | 148.8° | 30.0° |
| C17 | C16 | C15 | H152 | 31.5° | 150.0° |
| C16 | C17 | C18 | H181 | 176.8° | 179.9° |
| C17 | C16 | C36 | H361 | 178.4° | 179.9° |
| C17 | C18 | C19 | H181 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 175.1° | 179.9° |
| C17 | C18 | C19 | C35 | 5.7° | 0.1° |
| C18 | C17 | C16 | C36 | 0.9° | 0.3° |
| C18 | C19 | C20 | N21 | 74.7° | 90.0° |
| C18 | C19 | C20 | C35 | 168.3° | 180.0° |
| C18 | C19 | C35 | C36 | 6.5° | 0.2° |
| C19 | C18 | C17 | H171 | 176.8° | 179.7° |
| C18 | C19 | C20 | H201 | 165.0° | 150.0° |
| C18 | C19 | C20 | H202 | 45.5° | 30.0° |
| C18 | C19 | C35 | H351 | 173.5° | 179.9° |
| C20 | N21 | C22 | H211 | 180.0° | 179.9° |
| C20 | N21 | C22 | O23 | 10.0° | 0.1° |
| C20 | N21 | C22 | C24 | 175.3° | 180.0° |
| N21 | C20 | C19 | H201 | 120.2° | 120.0° |
| N21 | C20 | C19 | H202 | 120.2° | 120.0° |
| N21 | C20 | C19 | C35 | 93.6° | 90.0° |
| N21 | C20 | H201 | H202 | 119.2° | 120.0° |
| N21 | C22 | O23 | C24 | 174.8° | 179.9° |
| N21 | C22 | C24 | C25 | 169.6° | 179.7° |
| C22 | N21 | C20 | C19 | 100.4° | 180.0° |
| N21 | C22 | C24 | N34 | 10.7° | 0.0° |
| C22 | N21 | C20 | H201 | 19.9° | 60.0° |
| C22 | N21 | C20 | H202 | 139.4° | 60.1° |
| O23 | C22 | C24 | C25 | 5.2° | 0.2° |
| O23 | C22 | C24 | N34 | 174.4° | 179.9° |
| O23 | C22 | N21 | H211 | 169.9° | 180.0° |
| C22 | C24 | C25 | N34 | 179.6° | 179.7° |
| C22 | C24 | C25 | C26 | 179.3° | 180.0° |
| C22 | C24 | N34 | C33 | 179.0° | 180.0° |
| C22 | C24 | C25 | H251 | 0.7° | 0.0° |
| C24 | C22 | N21 | H211 | 4.8° | 0.1° |
| C24 | C25 | C26 | H251 | 180.0° | 180.0° |
| C24 | C25 | C26 | O27 | 179.7° | 179.9° |
| C24 | C25 | C26 | N28 | 0.2° | 0.0° |
| C25 | C24 | N34 | C33 | 1.3° | 0.3° |
| C25 | C26 | O27 | N28 | 179.9° | 179.9° |
| C25 | C26 | N28 | C29 | 180.0° | 179.9° |
| C26 | C25 | C24 | N34 | 1.1° | 0.3° |
| C25 | C26 | N28 | C33 | 0.3° | 0.3° |
| O27 | C26 | N28 | C29 | 0.1° | 0.0° |
| O27 | C26 | N28 | C33 | 179.8° | 179.8° |
| O27 | C26 | C25 | H251 | 0.3° | 0.1° |
| C26 | N28 | C29 | C33 | 179.7° | 179.8° |
| C26 | N28 | C29 | C30 | 179.9° | 179.9° |
| C26 | N28 | C33 | C32 | 179.8° | 180.0° |
| C26 | N28 | C33 | N34 | 0.1° | 0.3° |
| N28 | C26 | C25 | H251 | 179.8° | 180.0° |
| C26 | N28 | C29 | H291 | 0.0° | 0.1° |
| N28 | C29 | C30 | H291 | 180.0° | 179.9° |
| N28 | C29 | C30 | C31 | 0.4° | 0.1° |
| C29 | N28 | C33 | C32 | 0.5° | 0.2° |
| C29 | N28 | C33 | N34 | 179.8° | 180.0° |
| N28 | C29 | C30 | H301 | 179.6° | 180.0° |
| C29 | C30 | C31 | H301 | 180.0° | 179.9° |
| C29 | C30 | C31 | C32 | 0.9° | 0.4° |
| C30 | C29 | N28 | C33 | 0.3° | 0.2° |
| C29 | C30 | C31 | H311 | 179.1° | 180.0° |
| C30 | C31 | C32 | H311 | 180.0° | 179.7° |
| C30 | C31 | C32 | C33 | 0.6° | 0.3° |
| C31 | C30 | C29 | H291 | 179.6° | 180.0° |
| C30 | C31 | C32 | H321 | 179.4° | 180.0° |
| C31 | C32 | C33 | H321 | 180.0° | 179.8° |
| C31 | C32 | C33 | N34 | 179.8° | 179.7° |
| C31 | C32 | C33 | N28 | 0.1° | 0.0° |
| C32 | C31 | C30 | H301 | 179.1° | 179.7° |
| C32 | C33 | N34 | N28 | 179.7° | 179.7° |
| C32 | C33 | N34 | C24 | 178.9° | 179.7° |
| C33 | C32 | C31 | H311 | 179.3° | 179.9° |
| N34 | C33 | C32 | H321 | 0.2° | 0.0° |
| C20 | C19 | C35 | C36 | 175.5° | 179.7° |
| C19 | C20 | H201 | H202 | 119.3° | 120.0° |
| C20 | C19 | C18 | H181 | 4.9° | 0.1° |
| C20 | C19 | C35 | H351 | 4.5° | 0.1° |
| C19 | C20 | N21 | H211 | 79.7° | 0.0° |
| C19 | C35 | C36 | H351 | 180.0° | 179.7° |
| C19 | C35 | C36 | C16 | 4.8° | 0.6° |
| C35 | C19 | C20 | H201 | 26.7° | 30.0° |
| C35 | C19 | C20 | H202 | 146.2° | 150.1° |
| C35 | C19 | C18 | H181 | 174.3° | 179.9° |
| C19 | C35 | C36 | H361 | 175.2° | 179.9° |
| C35 | C36 | C16 | H361 | 180.0° | 179.3° |
| N12 | C07 | C06 | H061 | 113.9° | 65.0° |
| N12 | C07 | C06 | H062 | 127.3° | 175.0° |
| N12 | C07 | C08 | H081 | 179.4° | 179.1° |
| N12 | C07 | C08 | H082 | 61.7° | 60.8° |
| C07 | N12 | C11 | H111 | 58.2° | 58.3° |
| C07 | N12 | C11 | H112 | 177.3° | 178.2° |
| C36 | C16 | C15 | H151 | 31.8° | 150.0° |
| C36 | C16 | C15 | H152 | 149.2° | 29.9° |
| C36 | C16 | C17 | H171 | 179.2° | 179.9° |
| C16 | C36 | C35 | H351 | 175.2° | 179.7° |
| C24 | N34 | C33 | N28 | 0.8° | 0.0° |
| N34 | C24 | C25 | H251 | 178.9° | 179.7° |
| C33 | N28 | C29 | H291 | 179.7° | 179.7° |
| N28 | C33 | C32 | H321 | 179.9° | 179.8° |
| H101 | C10 | C09 | H091 | 41.5° | 62.5° |
| H101 | C10 | C09 | H092 | 77.7° | 57.7° |
| H101 | C10 | C11 | H111 | 49.5° | 59.1° |
| H101 | C10 | C11 | H112 | 69.5° | 60.9° |
| H102 | C10 | C09 | H091 | 160.4° | 57.6° |
| H102 | C10 | C09 | H092 | 41.3° | 177.7° |
| H102 | C10 | C11 | H111 | 168.5° | 179.1° |
| H102 | C10 | C11 | H112 | 49.4° | 59.1° |
| H1 | N12 | C07 | H071 | 70.8° | 65.8° |
| H1 | N12 | C11 | H111 | 61.7° | 65.8° |
| H1 | N12 | C11 | H112 | 57.4° | 54.2° |
| H171 | C17 | C18 | H181 | 3.1° | 0.3° |
| H201 | C20 | N21 | H211 | 160.1° | 120.0° |
| H202 | C20 | N21 | H211 | 40.6° | 120.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.1° |
| H011 | C01 | C02 | H021 | 63.0° | 60.0° |
| H012 | C01 | C02 | H021 | 56.9° | 60.0° |
| H013 | C01 | C02 | H021 | 177.0° | 180.0° |
| H021 | C02 | C03 | H031 | 63.1° | 180.0° |
| H021 | C02 | C03 | H032 | 176.9° | 60.0° |
| H021 | C02 | C03 | H033 | 56.9° | 60.1° |
| H021 | C02 | C04 | H041 | 177.4° | 65.0° |
| H021 | C02 | C04 | H042 | 64.8° | 175.0° |
| H031 | C03 | H032 | H033 | 120.0° | 120.0° |
| H061 | C06 | C07 | H071 | 127.6° | 174.9° |
| H062 | C06 | C07 | H071 | 8.9° | 55.0° |
| H071 | C07 | C08 | H081 | 64.5° | 59.0° |
| H071 | C07 | C08 | H082 | 176.5° | 179.2° |
| H081 | C08 | C09 | H091 | 47.2° | 62.6° |
| H081 | C08 | C09 | H092 | 72.0° | 57.7° |
| H082 | C08 | C09 | H091 | 166.1° | 57.6° |
| H082 | C08 | C09 | H092 | 47.0° | 177.8° |
| H291 | C29 | C30 | H301 | 0.4° | 0.1° |
| H301 | C30 | C31 | H311 | 0.9° | 0.1° |
| H311 | C31 | C32 | H321 | 0.7° | 0.3° |
| H351 | C35 | C36 | H361 | 4.8° | 0.4° |
