KFL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O20 | C19 | doub | 1.22Å | 1.18Å | |
| C19 | N21 | sing | 1.34Å | 1.49Å | |
| C19 | N18 | sing | 1.34Å | 1.51Å | |
| N21 | C22 | sing | 1.47Å | 1.41Å | |
| N18 | C17 | sing | 1.47Å | 1.39Å | |
| C22 | C17 | sing | 1.53Å | 1.54Å | |
| C22 | C14 | sing | 1.54Å | 1.55Å | |
| C17 | C16 | sing | 1.54Å | 1.59Å | |
| C13 | C14 | sing | 1.53Å | 1.57Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C14 | S15 | sing | 1.84Å | 1.70Å | |
| C16 | S15 | sing | 1.84Å | 1.75Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C09 | sing | 1.53Å | 1.55Å | |
| C09 | C07 | sing | 1.51Å | 1.54Å | |
| N06 | C07 | sing | 1.35Å | 1.47Å | |
| N06 | C05 | sing | 1.47Å | 1.47Å | |
| C07 | O08 | doub | 1.21Å | 1.18Å | |
| C23 | C05 | sing | 1.53Å | 1.52Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C05 | C04 | sing | 1.53Å | 1.51Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | N27 | sing | 1.45Å | 1.48Å | |
| C24 | C26 | sing | 1.55Å | 1.52Å | |
| C04 | C02 | sing | 1.53Å | 1.53Å | |
| N27 | O28 | sing | 1.46Å | 1.18Å | |
| N27 | C02 | sing | 1.45Å | 1.47Å | |
| C01 | C02 | sing | 1.53Å | 1.52Å | |
| C02 | C03 | sing | 1.54Å | 1.52Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | 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 | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | 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 | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| N18 | H181 | sing | 0.97Å | 1.00Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å | |
| O28 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O20 | C19 | N21 | 125.8° | 123.0° |
| O20 | C19 | N18 | 126.5° | 123.1° |
| N21 | C19 | N18 | 107.7° | 113.9° |
| C19 | N21 | C22 | 107.4° | 109.0° |
| C19 | N21 | H211 | 126.3° | 125.5° |
| C19 | N18 | C17 | 107.7° | 109.1° |
| C19 | N18 | H181 | 126.1° | 125.4° |
| N21 | C22 | C17 | 108.8° | 104.0° |
| N21 | C22 | C14 | 110.1° | 109.2° |
| N21 | C22 | H221 | 111.1° | 110.5° |
| C22 | N21 | H211 | 126.3° | 125.5° |
| N18 | C17 | C22 | 108.4° | 104.0° |
| N18 | C17 | C16 | 110.1° | 109.2° |
| N18 | C17 | H171 | 111.4° | 110.3° |
| C17 | N18 | H181 | 126.2° | 125.5° |
| C17 | C22 | C14 | 108.4° | 112.4° |
| C22 | C17 | C16 | 108.8° | 112.3° |
| C22 | C17 | H171 | 109.4° | 110.6° |
| C17 | C22 | H221 | 109.3° | 110.2° |
| C22 | C14 | C13 | 108.7° | 110.8° |
| C22 | C14 | S15 | 108.3° | 102.7° |
| C22 | C14 | H141 | 110.4° | 111.0° |
| C14 | C22 | H221 | 109.1° | 110.3° |
| C17 | C16 | S15 | 105.0° | 102.8° |
| C17 | C16 | H161 | 110.6° | 110.8° |
| C17 | C16 | H162 | 110.6° | 110.9° |
| C16 | C17 | H171 | 108.6° | 110.3° |
| C14 | C13 | C12 | 109.3° | 109.5° |
| C13 | C14 | S15 | 110.7° | 110.8° |
| C14 | C13 | H132 | 109.5° | 109.4° |
| C14 | C13 | H131 | 109.5° | 109.5° |
| C13 | C14 | H141 | 110.2° | 110.7° |
| C13 | C12 | C11 | 106.6° | 109.5° |
| C13 | C12 | H121 | 110.2° | 109.5° |
| C13 | C12 | H122 | 110.2° | 109.5° |
| C12 | C13 | H132 | 109.5° | 109.5° |
| C12 | C13 | H131 | 109.5° | 109.5° |
| C14 | S15 | C16 | 94.8° | 94.8° |
| S15 | C14 | H141 | 108.5° | 110.7° |
| S15 | C16 | H161 | 110.6° | 110.7° |
| S15 | C16 | H162 | 110.6° | 110.8° |
| C12 | C11 | C10 | 108.4° | 109.5° |
| C12 | C11 | H112 | 109.7° | 109.4° |
| C12 | C11 | H111 | 109.7° | 109.4° |
| C11 | C12 | H121 | 110.2° | 109.5° |
| C11 | C12 | H122 | 110.2° | 109.5° |
| C11 | C10 | C09 | 108.2° | 109.5° |
| C11 | C10 | H102 | 109.8° | 109.5° |
| C11 | C10 | H101 | 109.8° | 109.5° |
| C10 | C11 | H112 | 109.8° | 109.5° |
| C10 | C11 | H111 | 109.7° | 109.5° |
| C10 | C09 | C07 | 108.0° | 109.5° |
| C10 | C09 | H092 | 109.9° | 109.4° |
| C10 | C09 | H091 | 109.9° | 109.5° |
| C09 | C10 | H102 | 109.8° | 109.5° |
| C09 | C10 | H101 | 109.8° | 109.5° |
| C09 | C07 | N06 | 118.8° | 120.0° |
| C09 | C07 | O08 | 120.2° | 120.0° |
| C07 | C09 | H092 | 109.8° | 109.5° |
| C07 | C09 | H091 | 109.8° | 109.5° |
| C07 | N06 | C05 | 120.9° | 120.0° |
| N06 | C07 | O08 | 121.0° | 120.0° |
| C07 | N06 | H061 | 119.6° | 120.0° |
| N06 | C05 | C23 | 110.7° | 109.2° |
| N06 | C05 | C04 | 109.3° | 109.2° |
| N06 | C05 | H051 | 109.3° | 109.0° |
| C05 | N06 | H061 | 119.5° | 120.0° |
| C05 | C23 | C24 | 111.4° | 110.3° |
| C23 | C05 | C04 | 110.0° | 108.5° |
| C23 | C05 | H051 | 108.7° | 110.5° |
| C05 | C23 | H232 | 109.0° | 109.3° |
| C05 | C23 | H231 | 109.0° | 109.4° |
| C23 | C24 | C25 | 108.2° | 109.5° |
| C23 | C24 | N27 | 112.9° | 113.0° |
| C23 | C24 | C26 | 108.9° | 107.5° |
| C24 | C23 | H232 | 109.0° | 109.4° |
| C24 | C23 | H231 | 109.0° | 109.5° |
| C05 | C04 | C02 | 107.9° | 110.4° |
| C05 | C04 | H041 | 109.9° | 109.3° |
| C05 | C04 | H042 | 109.9° | 109.4° |
| C04 | C05 | H051 | 108.9° | 110.4° |
| C25 | C24 | N27 | 109.7° | 111.1° |
| C25 | C24 | C26 | 108.7° | 107.2° |
| C24 | C25 | H252 | 109.5° | 109.5° |
| C24 | C25 | H253 | 109.5° | 109.5° |
| C24 | C25 | H251 | 109.5° | 109.5° |
| N27 | C24 | C26 | 108.4° | 108.2° |
| C24 | N27 | O28 | 120.1° | 112.2° |
| C24 | N27 | C02 | 120.5° | 120.3° |
| C24 | C26 | H261 | 109.5° | 109.5° |
| C24 | C26 | H262 | 109.5° | 109.5° |
| C24 | C26 | H263 | 109.5° | 109.4° |
| C04 | C02 | N27 | 111.9° | 113.0° |
| C04 | C02 | C01 | 109.2° | 109.5° |
| C04 | C02 | C03 | 108.8° | 107.5° |
| C02 | C04 | H041 | 109.9° | 109.4° |
| C02 | C04 | H042 | 109.8° | 109.4° |
| O28 | N27 | C02 | 119.4° | 112.2° |
| N27 | O28 | H1 | 109.5° | 114.0° |
| N27 | C02 | C01 | 108.5° | 111.2° |
| N27 | C02 | C03 | 109.6° | 108.2° |
| C01 | C02 | C03 | 108.8° | 107.2° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C02 | C03 | H031 | 109.5° | 109.5° |
| C02 | C03 | H032 | 109.4° | 109.5° |
| C02 | C03 | H033 | 109.4° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.4° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.4° |
| H031 | C03 | H033 | 109.5° | 109.5° |
| H032 | C03 | H033 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 108.8° |
| H092 | C09 | H091 | 109.5° | 109.5° |
| H102 | C10 | H101 | 109.5° | 109.4° |
| H112 | C11 | H111 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.4° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H161 | C16 | H162 | 109.5° | 110.7° |
| H232 | C23 | H231 | 109.4° | 108.9° |
| H252 | C25 | H253 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.4° | 109.5° |
| H253 | C25 | H251 | 109.4° | 109.4° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.5° |
| H262 | C26 | H263 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O20 | C19 | N21 | N18 | 179.7° | 179.9° |
| O20 | C19 | N21 | C22 | 179.7° | 179.9° |
| O20 | C19 | N18 | C17 | 179.8° | 180.0° |
| O20 | C19 | N18 | H181 | 0.3° | 0.1° |
| O20 | C19 | N21 | H211 | 0.4° | 0.0° |
| C19 | N21 | C22 | H211 | 180.0° | 179.9° |
| N21 | C19 | N18 | C17 | 0.0° | 0.1° |
| C19 | N21 | C22 | C17 | 0.2° | 0.0° |
| C19 | N21 | C22 | C14 | 118.8° | 120.2° |
| C19 | N21 | C22 | H221 | 120.2° | 118.3° |
| N21 | C19 | N18 | H181 | 180.0° | 180.0° |
| N18 | C19 | N21 | C22 | 0.1° | 0.0° |
| C19 | N18 | C17 | H181 | 180.0° | 179.9° |
| C19 | N18 | C17 | C22 | 0.1° | 0.1° |
| C19 | N18 | C17 | C16 | 118.8° | 120.2° |
| C19 | N18 | C17 | H171 | 120.5° | 118.5° |
| N18 | C19 | N21 | H211 | 179.9° | 179.9° |
| N21 | C22 | C17 | N18 | 0.2° | 0.1° |
| N21 | C22 | C17 | C14 | 119.8° | 118.1° |
| N21 | C22 | C17 | H221 | 121.5° | 118.5° |
| N21 | C22 | C14 | H221 | 122.2° | 121.6° |
| N21 | C22 | C17 | C16 | 119.6° | 118.0° |
| N21 | C22 | C14 | C13 | 26.5° | 28.0° |
| N21 | C22 | C14 | S15 | 93.8° | 90.3° |
| N21 | C22 | C14 | H141 | 147.5° | 151.4° |
| N21 | C22 | C17 | H171 | 121.9° | 118.3° |
| N18 | C17 | C22 | C16 | 119.8° | 118.0° |
| N18 | C17 | C22 | H171 | 121.7° | 118.4° |
| N18 | C17 | C22 | C14 | 119.9° | 118.0° |
| N18 | C17 | C16 | H171 | 122.3° | 121.3° |
| N18 | C17 | C16 | S15 | 95.1° | 90.3° |
| N18 | C17 | C16 | H161 | 145.6° | 151.4° |
| N18 | C17 | C16 | H162 | 24.2° | 28.2° |
| N18 | C17 | C22 | H221 | 121.3° | 118.6° |
| C17 | C22 | C14 | H221 | 118.9° | 123.4° |
| C22 | C17 | C16 | H171 | 119.0° | 123.8° |
| C17 | C22 | C14 | C13 | 145.5° | 142.9° |
| C17 | C22 | C14 | S15 | 25.1° | 24.6° |
| C22 | C17 | C16 | S15 | 23.5° | 24.6° |
| C17 | C22 | C14 | H141 | 93.6° | 93.7° |
| C22 | C17 | C16 | H161 | 95.7° | 93.7° |
| C22 | C17 | C16 | H162 | 142.8° | 143.0° |
| C22 | C17 | N18 | H181 | 179.9° | 180.0° |
| C17 | C22 | N21 | H211 | 179.8° | 180.0° |
| C14 | C22 | C17 | C16 | 0.2° | 0.0° |
| C22 | C14 | C13 | S15 | 118.8° | 113.3° |
| C22 | C14 | C13 | H141 | 121.1° | 123.5° |
| C22 | C14 | C13 | C12 | 163.8° | 179.7° |
| C22 | C14 | S15 | H141 | 119.8° | 118.5° |
| C22 | C14 | S15 | C16 | 35.9° | 34.7° |
| C22 | C14 | C13 | H132 | 76.3° | 60.3° |
| C22 | C14 | C13 | H131 | 43.8° | 59.7° |
| C14 | C22 | C17 | H171 | 118.4° | 123.6° |
| C14 | C22 | N21 | H211 | 61.2° | 59.7° |
| C17 | C16 | S15 | C14 | 34.6° | 34.7° |
| C17 | C16 | S15 | H161 | 119.3° | 118.3° |
| C17 | C16 | S15 | H162 | 119.3° | 118.5° |
| C17 | C16 | H161 | H162 | 122.1° | 123.4° |
| C16 | C17 | C22 | H221 | 118.9° | 123.5° |
| C16 | C17 | N18 | H181 | 61.1° | 59.9° |
| C14 | C13 | C12 | H132 | 119.9° | 120.0° |
| C14 | C13 | C12 | H131 | 120.0° | 120.0° |
| C13 | C14 | S15 | H141 | 121.0° | 123.1° |
| C13 | C14 | S15 | C16 | 155.0° | 153.0° |
| C14 | C13 | C12 | C11 | 178.0° | 180.0° |
| C14 | C13 | C12 | H121 | 62.4° | 60.0° |
| C14 | C13 | C12 | H122 | 58.5° | 60.0° |
| C14 | C13 | H132 | H131 | 120.1° | 120.0° |
| C13 | C14 | C22 | H221 | 95.7° | 93.6° |
| C12 | C13 | C14 | S15 | 77.4° | 66.4° |
| C13 | C12 | C11 | H121 | 119.6° | 120.0° |
| C13 | C12 | C11 | H122 | 119.5° | 120.0° |
| C13 | C12 | C11 | C10 | 133.9° | 180.0° |
| C13 | C12 | C11 | H112 | 106.3° | 60.0° |
| C13 | C12 | C11 | H111 | 14.1° | 59.9° |
| C13 | C12 | H121 | H122 | 121.3° | 120.0° |
| C12 | C13 | H132 | H131 | 120.1° | 120.0° |
| C12 | C13 | C14 | H141 | 42.7° | 56.7° |
| S15 | C14 | C13 | H132 | 42.6° | 173.6° |
| S15 | C14 | C13 | H131 | 162.7° | 53.6° |
| C14 | S15 | C16 | H161 | 84.7° | 83.7° |
| C14 | S15 | C16 | H162 | 153.8° | 153.2° |
| S15 | C14 | C22 | H221 | 144.0° | 148.1° |
| C16 | S15 | C14 | H141 | 84.0° | 83.9° |
| S15 | C16 | H161 | H162 | 122.1° | 123.2° |
| S15 | C16 | C17 | H171 | 142.6° | 148.4° |
| C12 | C11 | C10 | H112 | 119.8° | 120.0° |
| C12 | C11 | C10 | H111 | 119.8° | 120.0° |
| C12 | C11 | C10 | C09 | 74.6° | 180.0° |
| C12 | C11 | C10 | H102 | 165.5° | 60.0° |
| C12 | C11 | C10 | H101 | 45.1° | 60.0° |
| C12 | C11 | H112 | H111 | 120.5° | 119.9° |
| C11 | C12 | H121 | H122 | 121.3° | 120.0° |
| C11 | C12 | C13 | H132 | 58.1° | 60.0° |
| C11 | C12 | C13 | H131 | 62.0° | 60.0° |
| C11 | C10 | C09 | H102 | 119.8° | 120.0° |
| C11 | C10 | C09 | H101 | 119.8° | 120.0° |
| C11 | C10 | C09 | C07 | 125.4° | 180.0° |
| C11 | C10 | C09 | H092 | 5.6° | 60.0° |
| C11 | C10 | C09 | H091 | 114.8° | 60.0° |
| C11 | C10 | H102 | H101 | 120.6° | 120.0° |
| C10 | C11 | H112 | H111 | 120.5° | 120.1° |
| C10 | C11 | C12 | H121 | 14.4° | 60.0° |
| C10 | C11 | C12 | H122 | 106.5° | 60.0° |
| C10 | C09 | C07 | H092 | 119.8° | 120.0° |
| C10 | C09 | C07 | H091 | 119.8° | 120.0° |
| C10 | C09 | C07 | N06 | 42.1° | 180.0° |
| C10 | C09 | C07 | O08 | 137.7° | 0.0° |
| C10 | C09 | H092 | H091 | 120.7° | 120.0° |
| C09 | C10 | H102 | H101 | 120.6° | 120.0° |
| C09 | C10 | C11 | H112 | 45.2° | 60.0° |
| C09 | C10 | C11 | H111 | 165.5° | 60.0° |
| C09 | C07 | N06 | O08 | 179.8° | 180.0° |
| C09 | C07 | N06 | C05 | 179.9° | 180.0° |
| C07 | C09 | H092 | H091 | 120.7° | 120.0° |
| C07 | C09 | C10 | H102 | 114.8° | 60.0° |
| C07 | C09 | C10 | H101 | 5.6° | 60.0° |
| C09 | C07 | N06 | H061 | 0.1° | 0.0° |
| C07 | N06 | C05 | H061 | 180.0° | 180.0° |
| C07 | N06 | C05 | C23 | 61.5° | 86.5° |
| C07 | N06 | C05 | C04 | 59.8° | 155.0° |
| C07 | N06 | C05 | H051 | 178.8° | 34.3° |
| N06 | C07 | C09 | H092 | 161.9° | 60.0° |
| N06 | C07 | C09 | H091 | 77.7° | 60.0° |
| C05 | N06 | C07 | O08 | 0.3° | 0.0° |
| N06 | C05 | C23 | C04 | 120.9° | 118.9° |
| N06 | C05 | C23 | H051 | 120.0° | 119.9° |
| N06 | C05 | C23 | C24 | 169.4° | 179.2° |
| N06 | C05 | C04 | H051 | 119.3° | 119.8° |
| N06 | C05 | C04 | C02 | 167.6° | 179.1° |
| N06 | C05 | C04 | H041 | 72.6° | 60.4° |
| N06 | C05 | C04 | H042 | 47.9° | 58.6° |
| N06 | C05 | C23 | H232 | 70.3° | 60.5° |
| N06 | C05 | C23 | H231 | 49.1° | 58.7° |
| O08 | C07 | C09 | H092 | 18.0° | 120.0° |
| O08 | C07 | C09 | H091 | 102.5° | 120.0° |
| O08 | C07 | N06 | H061 | 179.8° | 180.0° |
| C05 | C23 | C24 | H232 | 120.3° | 120.3° |
| C05 | C23 | C24 | H231 | 120.3° | 120.4° |
| C23 | C05 | C04 | H051 | 119.0° | 121.2° |
| C05 | C23 | C24 | C25 | 128.4° | 75.1° |
| C05 | C23 | C24 | N27 | 6.8° | 49.4° |
| C05 | C23 | C24 | C26 | 113.6° | 168.7° |
| C23 | C05 | C04 | C02 | 70.6° | 60.2° |
| C23 | C05 | C04 | H041 | 49.1° | 179.4° |
| C23 | C05 | C04 | H042 | 169.6° | 60.3° |
| C05 | C23 | H232 | H231 | 119.1° | 119.5° |
| C23 | C05 | N06 | H061 | 118.5° | 93.5° |
| C24 | C23 | C05 | C04 | 48.5° | 60.3° |
| C23 | C24 | C25 | N27 | 123.5° | 125.6° |
| C23 | C24 | C25 | C26 | 118.1° | 116.4° |
| C23 | C24 | N27 | C26 | 120.7° | 118.9° |
| C23 | C24 | N27 | O28 | 135.0° | 175.8° |
| C23 | C24 | N27 | C02 | 44.8° | 40.5° |
| C24 | C23 | C05 | H051 | 70.6° | 60.9° |
| C24 | C23 | H232 | H231 | 119.1° | 119.6° |
| C23 | C24 | C25 | H252 | 180.0° | 60.0° |
| C23 | C24 | C25 | H253 | 60.0° | 180.0° |
| C23 | C24 | C25 | H251 | 60.0° | 60.1° |
| C23 | C24 | C26 | H261 | 180.0° | 60.0° |
| C23 | C24 | C26 | H262 | 60.0° | 180.0° |
| C23 | C24 | C26 | H263 | 60.0° | 60.0° |
| C05 | C04 | C02 | H041 | 119.8° | 120.4° |
| C05 | C04 | C02 | H042 | 119.8° | 120.5° |
| C05 | C04 | C02 | N27 | 33.6° | 49.3° |
| C05 | C04 | C02 | C01 | 86.6° | 75.2° |
| C05 | C04 | C02 | C03 | 154.8° | 168.6° |
| C05 | C04 | H041 | H042 | 120.7° | 119.4° |
| C04 | C05 | C23 | H232 | 168.8° | 179.4° |
| C04 | C05 | C23 | H231 | 71.8° | 60.2° |
| C04 | C05 | N06 | H061 | 120.2° | 25.0° |
| C25 | C24 | N27 | C26 | 118.6° | 117.5° |
| C25 | C24 | N27 | O28 | 14.3° | 52.2° |
| C25 | C24 | N27 | C02 | 165.6° | 83.1° |
| C25 | C24 | C23 | H232 | 8.1° | 45.2° |
| C25 | C24 | C23 | H231 | 111.3° | 164.5° |
| C24 | C25 | H252 | H253 | 120.0° | 120.0° |
| C24 | C25 | H252 | H251 | 120.0° | 120.1° |
| C24 | C25 | H253 | H251 | 120.0° | 120.0° |
| C25 | C24 | C26 | H261 | 62.3° | 177.7° |
| C25 | C24 | C26 | H262 | 57.7° | 62.3° |
| C25 | C24 | C26 | H263 | 177.6° | 57.7° |
| C24 | N27 | C02 | C04 | 22.9° | 40.4° |
| C24 | N27 | O28 | C02 | 179.9° | 139.0° |
| C24 | N27 | C02 | C01 | 143.4° | 83.2° |
| C24 | N27 | C02 | C03 | 97.9° | 159.4° |
| N27 | C24 | C23 | H232 | 113.5° | 169.7° |
| N27 | C24 | C23 | H231 | 127.1° | 71.0° |
| N27 | C24 | C25 | H252 | 56.5° | 174.4° |
| N27 | C24 | C25 | H253 | 63.6° | 54.4° |
| N27 | C24 | C25 | H251 | 176.5° | 65.5° |
| N27 | C24 | C26 | H261 | 56.9° | 62.4° |
| N27 | C24 | C26 | H262 | 176.9° | 57.7° |
| N27 | C24 | C26 | H263 | 63.1° | 177.6° |
| C24 | N27 | O28 | H1 | 180.0° | 180.0° |
| C26 | C24 | N27 | O28 | 104.3° | 65.2° |
| C26 | C24 | N27 | C02 | 75.8° | 159.5° |
| C26 | C24 | C23 | H232 | 126.1° | 71.0° |
| C26 | C24 | C23 | H231 | 6.7° | 48.3° |
| C26 | C24 | C25 | H252 | 61.9° | 56.4° |
| C26 | C24 | C25 | H253 | 178.0° | 63.6° |
| C26 | C24 | C25 | H251 | 58.1° | 176.5° |
| C24 | C26 | H261 | H262 | 120.0° | 120.0° |
| C24 | C26 | H261 | H263 | 120.0° | 120.0° |
| C24 | C26 | H262 | H263 | 120.0° | 120.0° |
| C04 | C02 | N27 | O28 | 156.9° | 175.7° |
| C04 | C02 | N27 | C01 | 120.5° | 123.6° |
| C04 | C02 | N27 | C03 | 120.8° | 118.9° |
| C04 | C02 | C01 | C03 | 118.7° | 116.4° |
| C04 | C02 | C01 | H012 | 180.0° | 56.4° |
| C04 | C02 | C01 | H011 | 60.0° | 63.6° |
| C04 | C02 | C01 | H013 | 60.0° | 176.4° |
| C04 | C02 | C03 | H031 | 180.0° | 177.7° |
| C04 | C02 | C03 | H032 | 60.0° | 62.4° |
| C04 | C02 | C03 | H033 | 60.0° | 57.7° |
| C02 | C04 | H041 | H042 | 120.7° | 119.5° |
| C02 | C04 | C05 | H051 | 48.3° | 61.1° |
| O28 | N27 | C02 | C01 | 36.4° | 52.1° |
| O28 | N27 | C02 | C03 | 82.3° | 65.3° |
| N27 | C02 | C01 | C03 | 119.2° | 118.1° |
| N27 | C02 | C01 | H012 | 57.8° | 178.1° |
| N27 | C02 | C01 | H011 | 177.8° | 61.9° |
| N27 | C02 | C01 | H013 | 62.2° | 58.1° |
| N27 | C02 | C03 | H031 | 57.4° | 59.9° |
| N27 | C02 | C03 | H032 | 62.6° | 60.0° |
| N27 | C02 | C03 | H033 | 177.4° | 180.0° |
| N27 | C02 | C04 | H041 | 86.2° | 169.7° |
| N27 | C02 | C04 | H042 | 153.3° | 71.2° |
| C02 | N27 | O28 | H1 | 0.1° | 41.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C01 | C02 | C03 | H031 | 61.1° | 60.1° |
| C01 | C02 | C03 | H032 | 178.9° | 180.0° |
| C01 | C02 | C03 | H033 | 58.9° | 60.0° |
| C01 | C02 | C04 | H041 | 153.7° | 45.1° |
| C01 | C02 | C04 | H042 | 33.2° | 164.3° |
| C03 | C02 | C01 | H012 | 61.4° | 60.0° |
| C03 | C02 | C01 | H011 | 58.7° | 180.0° |
| C03 | C02 | C01 | H013 | 178.7° | 60.0° |
| C02 | C03 | H031 | H032 | 120.0° | 119.9° |
| C02 | C03 | H031 | H033 | 120.0° | 120.1° |
| C02 | C03 | H032 | H033 | 120.0° | 120.1° |
| C03 | C02 | C04 | H041 | 35.0° | 71.0° |
| C03 | C02 | C04 | H042 | 85.5° | 48.2° |
| H012 | C01 | H011 | H013 | 120.0° | 120.1° |
| H031 | C03 | H032 | H033 | 120.0° | 120.0° |
| H041 | C04 | C05 | H051 | 168.1° | 59.4° |
| H042 | C04 | C05 | H051 | 71.4° | 178.4° |
| H051 | C05 | C23 | H232 | 49.7° | 59.4° |
| H051 | C05 | C23 | H231 | 169.1° | 178.6° |
| H051 | C05 | N06 | H061 | 1.1° | 145.7° |
| H092 | C09 | C10 | H102 | 125.5° | 180.0° |
| H092 | C09 | C10 | H101 | 114.2° | 60.0° |
| H091 | C09 | C10 | H102 | 5.0° | 60.1° |
| H091 | C09 | C10 | H101 | 125.3° | 180.0° |
| H102 | C10 | C11 | H112 | 74.6° | 180.0° |
| H102 | C10 | C11 | H111 | 45.7° | 60.0° |
| H101 | C10 | C11 | H112 | 165.0° | 60.0° |
| H101 | C10 | C11 | H111 | 74.7° | 180.0° |
| H112 | C11 | C12 | H121 | 134.2° | 180.0° |
| H112 | C11 | C12 | H122 | 13.3° | 60.0° |
| H111 | C11 | C12 | H121 | 105.4° | 60.1° |
| H111 | C11 | C12 | H122 | 133.7° | 180.0° |
| H121 | C12 | C13 | H132 | 177.6° | 180.0° |
| H121 | C12 | C13 | H131 | 57.6° | 60.1° |
| H122 | C12 | C13 | H132 | 61.5° | 60.0° |
| H122 | C12 | C13 | H131 | 178.5° | 180.0° |
| H132 | C13 | C14 | H141 | 162.6° | 63.2° |
| H131 | C13 | C14 | H141 | 77.3° | 176.8° |
| H141 | C14 | C22 | H221 | 25.3° | 29.7° |
| H161 | C16 | C17 | H171 | 23.3° | 30.1° |
| H162 | C16 | C17 | H171 | 98.1° | 93.2° |
| H171 | C17 | C22 | H221 | 0.4° | 0.2° |
| H171 | C17 | N18 | H181 | 59.5° | 61.4° |
| H221 | C22 | N21 | H211 | 59.8° | 61.7° |
| H252 | C25 | H253 | H251 | 119.9° | 120.0° |
| H261 | C26 | H262 | H263 | 120.0° | 120.0° |
