OJA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.51Å | |
| C02 | N04 | sing | 1.47Å | 1.52Å | |
| N04 | C05 | sing | 1.47Å | 1.48Å | |
| N04 | C34 | sing | 1.47Å | 1.48Å | |
| C05 | C06 | sing | 1.53Å | 1.50Å | |
| C06 | N07 | sing | 1.47Å | 1.46Å | |
| N07 | C08 | sing | 1.47Å | 1.48Å | |
| N07 | C33 | sing | 1.47Å | 1.46Å | |
| C08 | C09 | sing | 1.53Å | 1.49Å | |
| C09 | N10 | sing | 1.47Å | 1.45Å | |
| N10 | C11 | sing | 1.47Å | 1.46Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C11 | C16 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C13 | N14 | sing | 1.47Å | 1.49Å | |
| N14 | C15 | sing | 1.47Å | 1.47Å | |
| N14 | C17 | sing | 1.40Å | 1.42Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C17 | C18 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.40Å | 1.39Å | Aromatic |
| C21 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C23 | sing | 1.48Å | 1.45Å | |
| C23 | C24 | doub | 1.36Å | 1.38Å | Aromatic |
| C23 | N32 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.46Å | 1.42Å | Aromatic |
| C25 | C26 | sing | 1.40Å | 1.38Å | Aromatic |
| C25 | C31 | doub | 1.41Å | 1.38Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.37Å | Aromatic |
| C27 | F28 | sing | 1.35Å | 1.31Å | |
| C27 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.38Å | 1.37Å | Aromatic |
| C30 | C31 | sing | 1.39Å | 1.40Å | Aromatic |
| C31 | N32 | sing | 1.38Å | 1.40Å | Aromatic |
| C33 | C34 | sing | 1.53Å | 1.51Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H02 | 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 | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| N10 | H10 | sing | 1.01Å | 1.00Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| N32 | H32 | sing | 0.97Å | 1.00Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C03 | 112.1° | 109.5° |
| C01 | C02 | N04 | 108.8° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.4° | 109.5° |
| C01 | C02 | H02 | 109.5° | 109.4° |
| C03 | C02 | N04 | 107.0° | 109.5° |
| C03 | C02 | H02 | 109.8° | 109.5° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C03 | H032 | 109.5° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.5° |
| C02 | N04 | C05 | 107.6° | 111.0° |
| C02 | N04 | C34 | 109.1° | 111.0° |
| N04 | C02 | H02 | 109.5° | 109.4° |
| C05 | N04 | C34 | 109.0° | 110.9° |
| N04 | C05 | C06 | 113.5° | 109.4° |
| N04 | C05 | H051 | 108.5° | 109.5° |
| N04 | C05 | H052 | 108.4° | 109.5° |
| N04 | C34 | C33 | 115.4° | 109.3° |
| N04 | C34 | H341 | 107.9° | 109.5° |
| N04 | C34 | H342 | 108.0° | 109.5° |
| C05 | C06 | N07 | 106.7° | 109.4° |
| C06 | C05 | H051 | 108.4° | 109.5° |
| C06 | C05 | H052 | 108.4° | 109.5° |
| C05 | C06 | H061 | 110.1° | 109.5° |
| C05 | C06 | H062 | 110.2° | 109.5° |
| C06 | N07 | C08 | 107.8° | 111.0° |
| C06 | N07 | C33 | 110.3° | 110.9° |
| N07 | C06 | H061 | 110.2° | 109.5° |
| N07 | C06 | H062 | 110.2° | 109.5° |
| C08 | N07 | C33 | 106.0° | 111.0° |
| N07 | C08 | C09 | 104.6° | 109.5° |
| N07 | C08 | H081 | 110.7° | 109.5° |
| N07 | C08 | H082 | 110.7° | 109.5° |
| N07 | C33 | C34 | 108.4° | 109.4° |
| N07 | C33 | H331 | 109.7° | 109.5° |
| N07 | C33 | H332 | 109.7° | 109.5° |
| C08 | C09 | N10 | 109.2° | 109.5° |
| C09 | C08 | H081 | 110.7° | 109.5° |
| C09 | C08 | H082 | 110.7° | 109.4° |
| C08 | C09 | H091 | 109.5° | 109.5° |
| C08 | C09 | H092 | 109.6° | 109.4° |
| C09 | N10 | C11 | 111.0° | 111.0° |
| N10 | C09 | H091 | 109.5° | 109.5° |
| N10 | C09 | H092 | 109.5° | 109.5° |
| C09 | N10 | H10 | 109.1° | 111.0° |
| N10 | C11 | C12 | 114.2° | 109.5° |
| N10 | C11 | C16 | 109.5° | 109.5° |
| C11 | N10 | H10 | 109.1° | 111.0° |
| N10 | C11 | H11 | 108.2° | 109.5° |
| C12 | C11 | C16 | 110.0° | 109.1° |
| C11 | C12 | C13 | 113.2° | 109.2° |
| C12 | C11 | H11 | 107.5° | 109.6° |
| C11 | C12 | H121 | 108.5° | 109.5° |
| C11 | C12 | H122 | 108.5° | 109.5° |
| C11 | C16 | C15 | 112.9° | 109.3° |
| C16 | C11 | H11 | 107.2° | 109.6° |
| C11 | C16 | H161 | 108.6° | 109.5° |
| C11 | C16 | H162 | 108.6° | 109.5° |
| C12 | C13 | N14 | 114.1° | 109.5° |
| C13 | C12 | H121 | 108.5° | 109.5° |
| C13 | C12 | H122 | 108.5° | 109.5° |
| C12 | C13 | H131 | 108.3° | 109.4° |
| C12 | C13 | H132 | 108.3° | 109.5° |
| C13 | N14 | C15 | 111.9° | 111.2° |
| C13 | N14 | C17 | 121.8° | 111.0° |
| N14 | C13 | H131 | 108.3° | 109.5° |
| N14 | C13 | H132 | 108.3° | 109.5° |
| C15 | N14 | C17 | 120.4° | 111.0° |
| N14 | C15 | C16 | 112.9° | 109.5° |
| N14 | C15 | H151 | 108.6° | 109.4° |
| N14 | C15 | H152 | 108.6° | 109.5° |
| N14 | C17 | C18 | 126.4° | 120.0° |
| N14 | C17 | C22 | 118.3° | 120.0° |
| C15 | C16 | H161 | 108.6° | 109.5° |
| C15 | C16 | H162 | 108.6° | 109.5° |
| C16 | C15 | H151 | 108.6° | 109.5° |
| C16 | C15 | H152 | 108.6° | 109.5° |
| C18 | C17 | C22 | 115.3° | 120.0° |
| C17 | C18 | C19 | 121.5° | 120.2° |
| C17 | C18 | H18 | 119.3° | 119.8° |
| C17 | C22 | C21 | 125.7° | 119.8° |
| C17 | C22 | H22 | 117.1° | 120.2° |
| C18 | C19 | C20 | 120.5° | 120.2° |
| C19 | C18 | H18 | 119.2° | 120.0° |
| C18 | C19 | H19 | 119.8° | 119.8° |
| C19 | C20 | C21 | 121.2° | 120.0° |
| C20 | C19 | H19 | 119.7° | 119.9° |
| C19 | C20 | H20 | 119.4° | 120.0° |
| C20 | C21 | C22 | 115.9° | 119.8° |
| C20 | C21 | C23 | 120.0° | 120.1° |
| C21 | C20 | H20 | 119.4° | 120.0° |
| C22 | C21 | C23 | 124.1° | 120.1° |
| C21 | C22 | H22 | 117.2° | 120.1° |
| C21 | C23 | C24 | 131.6° | 125.2° |
| C21 | C23 | N32 | 121.4° | 125.2° |
| C24 | C23 | N32 | 107.0° | 109.5° |
| C23 | C24 | C25 | 109.0° | 107.0° |
| C23 | C24 | H24 | 125.5° | 126.5° |
| C23 | N32 | C31 | 108.5° | 109.8° |
| C23 | N32 | H32 | 125.8° | 125.1° |
| C24 | C25 | C26 | 132.4° | 133.8° |
| C24 | C25 | C31 | 106.9° | 106.3° |
| C25 | C24 | H24 | 125.5° | 126.5° |
| C26 | C25 | C31 | 120.8° | 119.9° |
| C25 | C26 | C27 | 118.3° | 119.6° |
| C25 | C26 | H26 | 120.8° | 120.2° |
| C25 | C31 | C30 | 120.4° | 119.5° |
| C25 | C31 | N32 | 108.6° | 107.4° |
| C26 | C27 | F28 | 119.1° | 119.8° |
| C26 | C27 | C29 | 121.8° | 120.4° |
| C27 | C26 | H26 | 120.8° | 120.2° |
| F28 | C27 | C29 | 119.0° | 119.9° |
| C27 | C29 | C30 | 119.8° | 120.7° |
| C27 | C29 | H29 | 120.1° | 119.6° |
| C29 | C30 | C31 | 118.9° | 120.0° |
| C30 | C29 | H29 | 120.1° | 119.7° |
| C29 | C30 | H30 | 120.5° | 120.0° |
| C30 | C31 | N32 | 131.0° | 133.1° |
| C31 | C30 | H30 | 120.5° | 120.0° |
| C31 | N32 | H32 | 125.7° | 125.1° |
| C33 | C34 | H341 | 108.0° | 109.5° |
| C33 | C34 | H342 | 107.9° | 109.5° |
| C34 | C33 | H331 | 109.7° | 109.4° |
| C34 | C33 | H332 | 109.7° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| 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° |
| H051 | C05 | H052 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.5° | 109.5° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.6° |
| H161 | C16 | H162 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C03 | N04 | 119.3° | 120.0° |
| C01 | C02 | C03 | H02 | 121.9° | 120.0° |
| C01 | C02 | N04 | H02 | 119.7° | 119.9° |
| C01 | C02 | N04 | C05 | 173.4° | 180.0° |
| C01 | C02 | N04 | C34 | 55.3° | 56.2° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| 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° | 179.9° |
| C01 | C02 | C03 | H033 | 60.0° | 60.0° |
| C03 | C02 | N04 | H02 | 119.0° | 120.0° |
| C03 | C02 | N04 | C05 | 65.2° | 60.0° |
| C03 | C02 | N04 | C34 | 176.7° | 176.2° |
| C03 | C02 | C01 | H011 | 180.0° | 60.0° |
| C03 | C02 | C01 | H012 | 60.0° | 60.0° |
| C03 | C02 | C01 | H013 | 60.0° | 180.0° |
| C02 | C03 | H031 | H032 | 120.0° | 120.0° |
| C02 | C03 | H031 | H033 | 120.0° | 120.0° |
| C02 | C03 | H032 | H033 | 120.0° | 120.0° |
| C02 | N04 | C05 | C34 | 118.1° | 123.8° |
| C02 | N04 | C05 | C06 | 66.0° | 176.8° |
| C02 | N04 | C34 | C33 | 69.3° | 176.8° |
| N04 | C02 | C01 | H011 | 61.8° | 60.0° |
| N04 | C02 | C01 | H012 | 58.2° | 180.0° |
| N04 | C02 | C01 | H013 | 178.2° | 60.0° |
| N04 | C02 | C03 | H031 | 60.7° | 60.0° |
| N04 | C02 | C03 | H032 | 179.2° | 60.1° |
| N04 | C02 | C03 | H033 | 59.2° | 180.0° |
| C02 | N04 | C05 | H051 | 54.6° | 63.2° |
| C02 | N04 | C05 | H052 | 173.4° | 56.8° |
| C02 | N04 | C34 | H341 | 169.8° | 56.9° |
| C02 | N04 | C34 | H342 | 51.5° | 63.2° |
| N04 | C05 | C06 | H051 | 120.6° | 120.0° |
| N04 | C05 | C06 | H052 | 120.6° | 120.0° |
| N04 | C05 | C06 | N07 | 61.2° | 58.4° |
| C05 | N04 | C34 | C33 | 47.9° | 59.4° |
| C05 | N04 | C02 | H02 | 53.7° | 60.0° |
| N04 | C05 | H051 | H052 | 118.2° | 120.0° |
| C05 | N04 | C34 | H341 | 73.0° | 179.3° |
| C05 | N04 | C34 | H342 | 168.8° | 60.6° |
| N04 | C05 | C06 | H061 | 58.3° | 178.4° |
| N04 | C05 | C06 | H062 | 179.2° | 61.6° |
| C34 | N04 | C05 | C06 | 52.1° | 59.3° |
| N04 | C34 | C33 | N07 | 52.8° | 58.4° |
| N04 | C34 | C33 | H341 | 120.9° | 119.9° |
| N04 | C34 | C33 | H342 | 120.9° | 120.0° |
| C34 | N04 | C02 | H02 | 64.3° | 63.8° |
| C34 | N04 | C05 | H051 | 172.7° | 60.6° |
| C34 | N04 | C05 | H052 | 68.5° | 179.4° |
| N04 | C34 | H341 | H342 | 117.3° | 120.1° |
| N04 | C34 | C33 | H331 | 67.0° | 178.3° |
| N04 | C34 | C33 | H332 | 172.6° | 61.6° |
| C05 | C06 | N07 | H061 | 119.5° | 120.0° |
| C05 | C06 | N07 | H062 | 119.6° | 120.0° |
| C05 | C06 | N07 | C08 | 179.7° | 64.6° |
| C05 | C06 | N07 | C33 | 65.0° | 59.3° |
| C06 | C05 | H051 | H052 | 118.1° | 120.1° |
| C05 | C06 | H061 | H062 | 121.3° | 120.0° |
| C06 | N07 | C08 | C33 | 118.1° | 123.8° |
| C06 | N07 | C08 | C09 | 161.4° | 170.0° |
| C06 | N07 | C33 | C34 | 60.9° | 59.3° |
| N07 | C06 | C05 | H051 | 178.2° | 61.6° |
| N07 | C06 | C05 | H052 | 59.4° | 178.4° |
| N07 | C06 | H061 | H062 | 121.3° | 120.0° |
| C06 | N07 | C08 | H081 | 79.4° | 70.0° |
| C06 | N07 | C08 | H082 | 42.1° | 50.0° |
| C06 | N07 | C33 | H331 | 59.0° | 179.2° |
| C06 | N07 | C33 | H332 | 179.3° | 60.7° |
| N07 | C08 | C09 | H081 | 119.2° | 120.0° |
| N07 | C08 | C09 | H082 | 119.2° | 120.0° |
| N07 | C08 | C09 | N10 | 150.8° | NaN° |
| C08 | N07 | C33 | C34 | 177.3° | 64.5° |
| C08 | N07 | C06 | H061 | 60.8° | 55.4° |
| C08 | N07 | C06 | H062 | 60.1° | 175.5° |
| N07 | C08 | H081 | H082 | 122.3° | 120.0° |
| C08 | N07 | C33 | H331 | 57.4° | 55.4° |
| C08 | N07 | C33 | H332 | 62.9° | 175.5° |
| N07 | C08 | C09 | H091 | 30.9° | 60.0° |
| N07 | C08 | C09 | H092 | 89.2° | 60.0° |
| C33 | N07 | C08 | C09 | 80.6° | 66.2° |
| N07 | C33 | C34 | H331 | 119.8° | 119.9° |
| N07 | C33 | C34 | H332 | 119.8° | 120.0° |
| N07 | C33 | C34 | H341 | 68.1° | 178.4° |
| N07 | C33 | C34 | H342 | 173.7° | 61.6° |
| C33 | N07 | C06 | H061 | 54.5° | 179.3° |
| C33 | N07 | C06 | H062 | 175.4° | 60.6° |
| C33 | N07 | C08 | H081 | 38.7° | 53.8° |
| C33 | N07 | C08 | H082 | 160.2° | 173.8° |
| N07 | C33 | H331 | H332 | 120.5° | 120.1° |
| C08 | C09 | N10 | H091 | 120.0° | 120.0° |
| C08 | C09 | N10 | H092 | 120.0° | 120.0° |
| C08 | C09 | N10 | C11 | 170.0° | 180.0° |
| C09 | C08 | H081 | H082 | 122.2° | 120.0° |
| C08 | C09 | H091 | H092 | 120.1° | 120.0° |
| C08 | C09 | N10 | H10 | 69.8° | 56.1° |
| C09 | N10 | C11 | H10 | 120.2° | 123.9° |
| C09 | N10 | C11 | C12 | 111.6° | 155.0° |
| C09 | N10 | C11 | C16 | 124.6° | 85.3° |
| N10 | C09 | C08 | H081 | 89.9° | 60.0° |
| N10 | C09 | C08 | H082 | 31.6° | 60.0° |
| N10 | C09 | H091 | H092 | 120.1° | 120.0° |
| C09 | N10 | C11 | H11 | 8.1° | 34.9° |
| N10 | C11 | C12 | C16 | 123.6° | 119.9° |
| N10 | C11 | C12 | H11 | 120.0° | 120.1° |
| N10 | C11 | C16 | H11 | 117.1° | 120.2° |
| N10 | C11 | C12 | C13 | 84.9° | 177.6° |
| N10 | C11 | C16 | C15 | 142.3° | 177.5° |
| C11 | N10 | C09 | H091 | 50.0° | 60.0° |
| C11 | N10 | C09 | H092 | 70.1° | 60.0° |
| N10 | C11 | C12 | H121 | 35.7° | 57.6° |
| N10 | C11 | C12 | H122 | 154.6° | 62.5° |
| N10 | C11 | C16 | H161 | 97.2° | 62.5° |
| N10 | C11 | C16 | H162 | 21.8° | 57.6° |
| C12 | C11 | C16 | H11 | 116.6° | 120.0° |
| C11 | C12 | C13 | H121 | 120.6° | 120.0° |
| C11 | C12 | C13 | H122 | 120.6° | 119.9° |
| C11 | C12 | C13 | N14 | 56.2° | 59.2° |
| C12 | C11 | C16 | C15 | 16.0° | 57.7° |
| C12 | C11 | N10 | H10 | 128.2° | 81.1° |
| C11 | C12 | H121 | H122 | 118.3° | 120.1° |
| C12 | C11 | C16 | H161 | 136.5° | 177.7° |
| C12 | C11 | C16 | H162 | 104.5° | 62.3° |
| C11 | C12 | C13 | H131 | 64.4° | 179.2° |
| C11 | C12 | C13 | H132 | 176.9° | 60.8° |
| C16 | C11 | C12 | C13 | 38.7° | 57.7° |
| C11 | C16 | C15 | N14 | 61.5° | 59.2° |
| C11 | C16 | C15 | H161 | 120.5° | 120.0° |
| C11 | C16 | C15 | H162 | 120.5° | 120.0° |
| C16 | C11 | N10 | H10 | 4.4° | 38.6° |
| C16 | C11 | C12 | H121 | 159.3° | 62.3° |
| C16 | C11 | C12 | H122 | 81.9° | 177.6° |
| C11 | C16 | H161 | H162 | 118.5° | 120.1° |
| C11 | C16 | C15 | H151 | 178.0° | 179.2° |
| C11 | C16 | C15 | H152 | 59.1° | 60.9° |
| C12 | C13 | N14 | H131 | 120.6° | 120.0° |
| C12 | C13 | N14 | H132 | 120.7° | 120.0° |
| C12 | C13 | N14 | C15 | 11.8° | 61.8° |
| C12 | C13 | N14 | C17 | 141.0° | 174.1° |
| C13 | C12 | C11 | H11 | 155.1° | 62.3° |
| C13 | C12 | H121 | H122 | 118.3° | 120.1° |
| C12 | C13 | H131 | H132 | 117.9° | 120.0° |
| C13 | N14 | C15 | C17 | 153.3° | 124.1° |
| C13 | N14 | C15 | C16 | 44.7° | 61.8° |
| C13 | N14 | C17 | C18 | 45.8° | 0.0° |
| C13 | N14 | C17 | C22 | 134.9° | 179.8° |
| N14 | C13 | C12 | H121 | 176.8° | 60.8° |
| N14 | C13 | C12 | H122 | 64.3° | 179.1° |
| N14 | C13 | H131 | H132 | 117.9° | 120.0° |
| C13 | N14 | C15 | H151 | 165.2° | 178.2° |
| C13 | N14 | C15 | H152 | 75.8° | 58.3° |
| N14 | C15 | C16 | H151 | 120.5° | 120.0° |
| N14 | C15 | C16 | H152 | 120.5° | 120.1° |
| C15 | N14 | C17 | C18 | 163.6° | 124.2° |
| C15 | N14 | C17 | C22 | 15.7° | 55.6° |
| N14 | C15 | C16 | H161 | 178.1° | 179.2° |
| N14 | C15 | C16 | H162 | 59.0° | 60.8° |
| C15 | N14 | C13 | H131 | 108.8° | 178.3° |
| C15 | N14 | C13 | H132 | 132.5° | 58.3° |
| N14 | C15 | H151 | H152 | 118.4° | 120.0° |
| C17 | N14 | C15 | C16 | 162.0° | 174.2° |
| N14 | C17 | C18 | C22 | 179.3° | 179.8° |
| N14 | C17 | C18 | C19 | 179.5° | 180.0° |
| N14 | C17 | C22 | C21 | 179.9° | 179.8° |
| C17 | N14 | C13 | H131 | 98.3° | 54.2° |
| C17 | N14 | C13 | H132 | 20.3° | 65.8° |
| C17 | N14 | C15 | H151 | 41.5° | 54.1° |
| C17 | N14 | C15 | H152 | 77.5° | 65.8° |
| N14 | C17 | C18 | H18 | 0.6° | 0.0° |
| N14 | C17 | C22 | H22 | 0.1° | 0.1° |
| C15 | C16 | C11 | H11 | 100.6° | 62.3° |
| C15 | C16 | H161 | H162 | 118.5° | 120.1° |
| C16 | C15 | H151 | H152 | 118.4° | 120.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.2° | 0.0° |
| C18 | C17 | C22 | C21 | 0.5° | 0.5° |
| C18 | C17 | C22 | H22 | 179.5° | 179.7° |
| C17 | C18 | C19 | H19 | 179.8° | 180.0° |
| C22 | C17 | C18 | C19 | 0.1° | 0.2° |
| C17 | C22 | C21 | C20 | 0.5° | 0.4° |
| C17 | C22 | C21 | H22 | 180.0° | 179.8° |
| C17 | C22 | C21 | C23 | 179.8° | 179.8° |
| C22 | C17 | C18 | H18 | 179.9° | 179.8° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.2° | 0.1° |
| C18 | C19 | C20 | H20 | 179.8° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.2° |
| C19 | C20 | C21 | C23 | 179.4° | 180.0° |
| C20 | C19 | C18 | H18 | 179.8° | 180.0° |
| C20 | C21 | C22 | C23 | 179.3° | 179.8° |
| C20 | C21 | C23 | C24 | 29.5° | 0.0° |
| C20 | C21 | C23 | N32 | 149.6° | 179.8° |
| C20 | C21 | C22 | H22 | 179.5° | 179.8° |
| C21 | C20 | C19 | H19 | 179.8° | 180.0° |
| C22 | C21 | C23 | C24 | 151.2° | 179.8° |
| C22 | C21 | C23 | N32 | 29.6° | 0.1° |
| C22 | C21 | C20 | H20 | 179.9° | 179.8° |
| C21 | C23 | C24 | N32 | 179.3° | 179.8° |
| C21 | C23 | C24 | C25 | 179.3° | 180.0° |
| C21 | C23 | N32 | C31 | 179.1° | 179.9° |
| C23 | C21 | C22 | H22 | 0.2° | 0.1° |
| C23 | C21 | C20 | H20 | 0.6° | 0.0° |
| C21 | C23 | C24 | H24 | 0.6° | 0.0° |
| C21 | C23 | N32 | H32 | 0.9° | 0.1° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 179.7° | 179.9° |
| C23 | C24 | C25 | C31 | 0.4° | 0.0° |
| C24 | C23 | N32 | C31 | 0.2° | 0.3° |
| C24 | C23 | N32 | H32 | 179.8° | 179.7° |
| N32 | C23 | C24 | C25 | 0.1° | 0.2° |
| C23 | N32 | C31 | C25 | 0.5° | 0.3° |
| C23 | N32 | C31 | C30 | 180.0° | 179.8° |
| C23 | N32 | C31 | H32 | 180.0° | 179.9° |
| N32 | C23 | C24 | H24 | 179.9° | 179.8° |
| C24 | C25 | C26 | C31 | 179.9° | 179.9° |
| C24 | C25 | C26 | C27 | 180.0° | 180.0° |
| C24 | C25 | C31 | C30 | 179.9° | 179.9° |
| C24 | C25 | C31 | N32 | 0.5° | 0.2° |
| C24 | C25 | C26 | H26 | 0.0° | 0.1° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | F28 | 179.8° | 180.0° |
| C25 | C26 | C27 | C29 | 0.5° | 0.1° |
| C26 | C25 | C31 | C30 | 0.0° | 0.1° |
| C26 | C25 | C31 | N32 | 179.5° | 179.8° |
| C26 | C25 | C24 | H24 | 0.3° | 0.1° |
| C31 | C25 | C26 | C27 | 0.1° | 0.1° |
| C25 | C31 | C30 | C29 | 0.6° | 0.1° |
| C25 | C31 | C30 | N32 | 179.4° | 179.8° |
| C31 | C25 | C24 | H24 | 179.6° | 180.0° |
| C25 | C31 | N32 | H32 | 179.5° | 179.7° |
| C31 | C25 | C26 | H26 | 179.9° | 180.0° |
| C25 | C31 | C30 | H30 | 179.3° | 179.9° |
| C26 | C27 | F28 | C29 | 179.3° | 179.9° |
| C26 | C27 | C29 | C30 | 1.1° | 0.0° |
| C26 | C27 | C29 | H29 | 178.9° | 180.0° |
| F28 | C27 | C29 | C30 | 179.5° | 180.0° |
| F28 | C27 | C26 | H26 | 0.2° | 0.1° |
| F28 | C27 | C29 | H29 | 0.5° | 0.0° |
| C27 | C29 | C30 | H29 | 180.0° | 180.0° |
| C27 | C29 | C30 | C31 | 1.2° | 0.1° |
| C29 | C27 | C26 | H26 | 179.5° | 180.0° |
| C27 | C29 | C30 | H30 | 178.8° | 180.0° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | N32 | 178.8° | 179.7° |
| C30 | C31 | N32 | H32 | 0.1° | 0.1° |
| C31 | C30 | C29 | H29 | 178.8° | 180.0° |
| N32 | C31 | C30 | H30 | 1.2° | 0.2° |
| C33 | C34 | H341 | H342 | 117.3° | 120.1° |
| C34 | C33 | H331 | H332 | 120.5° | 120.1° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H011 | C01 | C02 | H02 | 57.9° | 179.9° |
| H012 | C01 | C02 | H02 | 177.9° | 60.1° |
| H013 | C01 | C02 | H02 | 62.1° | 60.0° |
| H02 | C02 | C03 | H031 | 58.0° | 180.0° |
| H02 | C02 | C03 | H032 | 62.0° | 59.9° |
| H02 | C02 | C03 | H033 | 178.0° | 60.1° |
| H031 | C03 | H032 | H033 | 120.0° | 120.0° |
| H051 | C05 | C06 | H061 | 62.3° | 58.4° |
| H051 | C05 | C06 | H062 | 58.6° | 178.5° |
| H052 | C05 | C06 | H061 | 178.9° | 61.6° |
| H052 | C05 | C06 | H062 | 60.2° | 58.4° |
| H341 | C34 | C33 | H331 | 172.1° | 61.7° |
| H341 | C34 | C33 | H332 | 51.7° | 58.4° |
| H342 | C34 | C33 | H331 | 53.9° | 58.3° |
| H342 | C34 | C33 | H332 | 66.5° | 178.4° |
| H081 | C08 | C09 | H091 | 150.1° | 180.0° |
| H081 | C08 | C09 | H092 | 30.0° | 60.0° |
| H082 | C08 | C09 | H091 | 88.4° | 60.0° |
| H082 | C08 | C09 | H092 | 151.6° | 180.0° |
| H091 | C09 | N10 | H10 | 170.2° | 176.1° |
| H092 | C09 | N10 | H10 | 50.2° | 63.9° |
| H10 | N10 | C11 | H11 | 112.2° | 158.8° |
| H11 | C11 | C12 | H121 | 84.3° | 177.7° |
| H11 | C11 | C12 | H122 | 34.5° | 57.6° |
| H11 | C11 | C16 | H161 | 19.9° | 57.7° |
| H11 | C11 | C16 | H162 | 138.9° | 177.7° |
| H121 | C12 | C13 | H131 | 56.1° | 59.3° |
| H121 | C12 | C13 | H132 | 62.6° | 179.2° |
| H122 | C12 | C13 | H131 | 175.0° | 60.9° |
| H122 | C12 | C13 | H132 | 56.3° | 59.1° |
| H161 | C16 | C15 | H151 | 57.5° | 60.9° |
| H161 | C16 | C15 | H152 | 61.4° | 59.1° |
| H162 | C16 | C15 | H151 | 61.5° | 59.2° |
| H162 | C16 | C15 | H152 | 179.6° | 179.2° |
| H18 | C18 | C19 | H19 | 0.2° | 0.0° |
| H19 | C19 | C20 | H20 | 0.2° | 0.0° |
| H29 | C29 | C30 | H30 | 1.2° | 0.0° |
