XTJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F28 | C27 | sing | 1.35Å | 1.38Å | |
| C27 | C29 | doub | 1.38Å | 1.33Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.53Å | Aromatic |
| C29 | C23 | sing | 1.38Å | 1.55Å | Aromatic |
| C26 | C25 | doub | 1.38Å | 1.32Å | Aromatic |
| C18 | C16 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.54Å | |
| C25 | C24 | sing | 1.38Å | 1.54Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| O21 | C22 | sing | 1.45Å | 1.42Å | |
| O21 | C20 | sing | 1.35Å | 1.41Å | |
| C23 | C24 | doub | 1.38Å | 1.34Å | Aromatic |
| C23 | C22 | sing | 1.51Å | 1.55Å | |
| N19 | C20 | sing | 1.35Å | 1.45Å | |
| N19 | C14 | sing | 1.46Å | 1.45Å | |
| O01 | C02 | doub | 1.21Å | 1.18Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C20 | O30 | doub | 1.21Å | 1.21Å | |
| C14 | C02 | sing | 1.51Å | 1.55Å | |
| C02 | N03 | sing | 1.35Å | 1.45Å | |
| N03 | C04 | sing | 1.46Å | 1.48Å | |
| C07 | C08 | sing | 1.54Å | 1.56Å | |
| C07 | C06 | sing | 1.55Å | 1.52Å | |
| C04 | C12 | sing | 1.53Å | 1.54Å | |
| C04 | C05 | sing | 1.53Å | 1.55Å | |
| C08 | N09 | sing | 1.47Å | 1.50Å | |
| C12 | O13 | sing | 1.43Å | 1.22Å | |
| C06 | C05 | sing | 1.53Å | 1.56Å | |
| C06 | C10 | sing | 1.51Å | 1.51Å | |
| N09 | C10 | sing | 1.34Å | 1.47Å | |
| C10 | O11 | doub | 1.21Å | 1.17Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| N09 | H091 | sing | 0.97Å | 1.00Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| C12 | H1 | sing | 1.09Å | 1.10Å | |
| O13 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F28 | C27 | C29 | 121.6° | 120.1° |
| F28 | C27 | C26 | 117.3° | 120.0° |
| C29 | C27 | C26 | 121.1° | 119.9° |
| C27 | C29 | C23 | 119.1° | 120.0° |
| C27 | C29 | H291 | 120.5° | 120.0° |
| C27 | C26 | C25 | 120.2° | 120.0° |
| C27 | C26 | H261 | 119.9° | 120.0° |
| C29 | C23 | C24 | 119.0° | 120.0° |
| C29 | C23 | C22 | 122.3° | 120.0° |
| C23 | C29 | H291 | 120.5° | 120.0° |
| C26 | C25 | C24 | 119.2° | 120.0° |
| C25 | C26 | H261 | 119.9° | 120.1° |
| C26 | C25 | H251 | 120.4° | 120.0° |
| C16 | C18 | C17 | 59.5° | 60.0° |
| C18 | C16 | C15 | 114.3° | 117.5° |
| C18 | C16 | C17 | 60.5° | 60.0° |
| C18 | C16 | H161 | 118.1° | 117.5° |
| C16 | C18 | H181 | 120.1° | 117.5° |
| C16 | C18 | H182 | 120.1° | 117.6° |
| C18 | C17 | C16 | 60.0° | 60.0° |
| C18 | C17 | H171 | 120.0° | 117.5° |
| C18 | C17 | H172 | 120.0° | 117.5° |
| C17 | C18 | H181 | 120.1° | 117.5° |
| C17 | C18 | H182 | 120.1° | 117.5° |
| C25 | C24 | C23 | 121.4° | 120.1° |
| C25 | C24 | H241 | 119.3° | 120.0° |
| C24 | C25 | H251 | 120.4° | 120.0° |
| C16 | C15 | C14 | 105.7° | 109.5° |
| C15 | C16 | C17 | 115.1° | 117.5° |
| C16 | C15 | H151 | 110.4° | 109.4° |
| C16 | C15 | H152 | 110.4° | 109.5° |
| C15 | C16 | H161 | 117.9° | 115.6° |
| C15 | C14 | N19 | 108.6° | 109.5° |
| C15 | C14 | C02 | 109.1° | 109.4° |
| C14 | C15 | H151 | 110.4° | 109.5° |
| C14 | C15 | H152 | 110.4° | 109.5° |
| C15 | C14 | H141 | 110.3° | 109.4° |
| C22 | O21 | C20 | 116.9° | 117.0° |
| O21 | C22 | C23 | 110.4° | 109.5° |
| O21 | C22 | H222 | 109.2° | 109.5° |
| O21 | C22 | H221 | 109.3° | 109.5° |
| O21 | C20 | N19 | 116.4° | 119.9° |
| O21 | C20 | O30 | 122.7° | 120.0° |
| C24 | C23 | C22 | 118.7° | 120.0° |
| C23 | C24 | H241 | 119.3° | 120.0° |
| C23 | C22 | H222 | 109.3° | 109.4° |
| C23 | C22 | H221 | 109.2° | 109.5° |
| C20 | N19 | C14 | 120.4° | 119.9° |
| N19 | C20 | O30 | 120.9° | 120.0° |
| C20 | N19 | H191 | 119.8° | 120.0° |
| N19 | C14 | C02 | 108.0° | 109.5° |
| N19 | C14 | H141 | 111.1° | 109.5° |
| C14 | N19 | H191 | 119.8° | 120.0° |
| O01 | C02 | C14 | 120.2° | 120.0° |
| O01 | C02 | N03 | 116.9° | 120.0° |
| C16 | C17 | H171 | 120.0° | 117.5° |
| C16 | C17 | H172 | 120.0° | 117.5° |
| C17 | C16 | H161 | 118.3° | 117.5° |
| C14 | C02 | N03 | 122.9° | 120.0° |
| C02 | C14 | H141 | 109.7° | 109.5° |
| C02 | N03 | C04 | 119.1° | 120.0° |
| C02 | N03 | H031 | 120.5° | 120.0° |
| N03 | C04 | C12 | 110.3° | 109.5° |
| N03 | C04 | C05 | 108.2° | 109.5° |
| N03 | C04 | H041 | 109.6° | 109.5° |
| C04 | N03 | H031 | 120.4° | 120.0° |
| C08 | C07 | C06 | 105.4° | 101.8° |
| C07 | C08 | N09 | 105.0° | 105.5° |
| C08 | C07 | H072 | 110.5° | 110.9° |
| C08 | C07 | H071 | 110.5° | 110.9° |
| C07 | C08 | H082 | 110.6° | 110.3° |
| C07 | C08 | H081 | 110.6° | 110.3° |
| C07 | C06 | C05 | 108.2° | 110.5° |
| C07 | C06 | C10 | 104.2° | 104.2° |
| C07 | C06 | H061 | 108.8° | 110.6° |
| C06 | C07 | H072 | 110.5° | 110.8° |
| C06 | C07 | H071 | 110.5° | 111.2° |
| C12 | C04 | C05 | 111.2° | 109.4° |
| C04 | C12 | O13 | 117.6° | 109.5° |
| C12 | C04 | H041 | 108.8° | 109.5° |
| C04 | C12 | H121 | 107.4° | 109.4° |
| C04 | C12 | H1 | 107.4° | 109.5° |
| C04 | C05 | C06 | 110.1° | 109.5° |
| C05 | C04 | H041 | 108.7° | 109.5° |
| C04 | C05 | H052 | 109.3° | 109.5° |
| C04 | C05 | H051 | 109.3° | 109.5° |
| C08 | N09 | C10 | 108.1° | 111.3° |
| N09 | C08 | H082 | 110.6° | 110.3° |
| N09 | C08 | H081 | 110.6° | 110.0° |
| C08 | N09 | H091 | 126.0° | 124.4° |
| O13 | C12 | H121 | 107.4° | 109.4° |
| O13 | C12 | H1 | 107.4° | 109.5° |
| C12 | O13 | H2 | 109.5° | 114.0° |
| C05 | C06 | C10 | 118.1° | 110.5° |
| C06 | C05 | H052 | 109.3° | 109.5° |
| C06 | C05 | H051 | 109.3° | 109.4° |
| C05 | C06 | H061 | 108.3° | 110.4° |
| C06 | C10 | N09 | 110.0° | 110.1° |
| C06 | C10 | O11 | 127.4° | 125.0° |
| C10 | C06 | H061 | 108.9° | 110.5° |
| N09 | C10 | O11 | 122.6° | 125.0° |
| C10 | N09 | H091 | 125.9° | 124.3° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H171 | C17 | H172 | 109.5° | 115.5° |
| H222 | C22 | H221 | 109.5° | 109.4° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 110.9° |
| H082 | C08 | H081 | 109.5° | 110.3° |
| H121 | C12 | H1 | 109.5° | 109.5° |
| H181 | C18 | H182 | 109.5° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F28 | C27 | C29 | C26 | 179.2° | 179.7° |
| F28 | C27 | C29 | C23 | 179.6° | 180.0° |
| F28 | C27 | C26 | C25 | 179.6° | 180.0° |
| F28 | C27 | C26 | H261 | 0.4° | 0.0° |
| F28 | C27 | C29 | H291 | 0.4° | 0.3° |
| C27 | C29 | C23 | H291 | 180.0° | 179.7° |
| C29 | C27 | C26 | C25 | 0.3° | 0.3° |
| C27 | C29 | C23 | C24 | 0.1° | 0.0° |
| C27 | C29 | C23 | C22 | 179.1° | 180.0° |
| C29 | C27 | C26 | H261 | 179.7° | 179.7° |
| C26 | C27 | C29 | C23 | 0.4° | 0.3° |
| C27 | C26 | C25 | H261 | 180.0° | 180.0° |
| C27 | C26 | C25 | C24 | 0.0° | 0.0° |
| C27 | C26 | C25 | H251 | 180.0° | 180.0° |
| C26 | C27 | C29 | H291 | 179.6° | 180.0° |
| C29 | C23 | C24 | C25 | 0.2° | 0.3° |
| C29 | C23 | C22 | O21 | 1.9° | 90.0° |
| C29 | C23 | C24 | C22 | 179.0° | 180.0° |
| C29 | C23 | C22 | H222 | 122.0° | 30.0° |
| C29 | C23 | C22 | H221 | 118.3° | 150.0° |
| C29 | C23 | C24 | H241 | 179.8° | 180.0° |
| C26 | C25 | C24 | H251 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 0.2° | 0.3° |
| C26 | C25 | C24 | H241 | 179.8° | 180.0° |
| C16 | C18 | C17 | H181 | 109.3° | 107.5° |
| C16 | C18 | C17 | H182 | 109.4° | 107.5° |
| C18 | C16 | C15 | C17 | 67.3° | 68.6° |
| C18 | C16 | C15 | H161 | 145.6° | 145.6° |
| C18 | C16 | C15 | C14 | 138.2° | 115.3° |
| C18 | C16 | C17 | H161 | 108.1° | 107.5° |
| C18 | C16 | C15 | H151 | 102.4° | 124.7° |
| C18 | C16 | C15 | H152 | 18.8° | 4.8° |
| C16 | C18 | C17 | H171 | 109.5° | 107.5° |
| C16 | C18 | C17 | H172 | 109.5° | 107.5° |
| C16 | C18 | H181 | H182 | 145.0° | 145.7° |
| C18 | C17 | H171 | H172 | 144.7° | 145.6° |
| C17 | C18 | H181 | H182 | 145.0° | 145.7° |
| C25 | C24 | C23 | H241 | 180.0° | 179.7° |
| C25 | C24 | C23 | C22 | 178.8° | 179.7° |
| C24 | C25 | C26 | H261 | 180.0° | 179.9° |
| C16 | C15 | C14 | H151 | 119.4° | 119.9° |
| C16 | C15 | C14 | H152 | 119.4° | 120.1° |
| C16 | C15 | C14 | N19 | 127.3° | 65.6° |
| C15 | C16 | C17 | H161 | 147.0° | 145.1° |
| C16 | C15 | C14 | C02 | 115.1° | 174.4° |
| C16 | C15 | H151 | H152 | 121.8° | 120.0° |
| C15 | C16 | C17 | H171 | 4.5° | 145.1° |
| C15 | C16 | C17 | H172 | 145.6° | 0.1° |
| C16 | C15 | C14 | H141 | 5.4° | 54.4° |
| C15 | C16 | C18 | H181 | 3.2° | 145.0° |
| C15 | C16 | C18 | H182 | 144.5° | 0.1° |
| C15 | C14 | N19 | C20 | 172.3° | 156.2° |
| C15 | C14 | N19 | C02 | 118.2° | 120.0° |
| C15 | C14 | N19 | H141 | 121.4° | 120.0° |
| C15 | C14 | C02 | O01 | 77.8° | 120.1° |
| C14 | C15 | C16 | C17 | 70.9° | 176.1° |
| C15 | C14 | C02 | H141 | 120.9° | 119.9° |
| C15 | C14 | C02 | N03 | 102.9° | 60.0° |
| C14 | C15 | H151 | H152 | 121.8° | 120.1° |
| C14 | C15 | C16 | H161 | 76.2° | 30.4° |
| C15 | C14 | N19 | H191 | 7.7° | 23.9° |
| O21 | C22 | C23 | C24 | 179.1° | 90.0° |
| O21 | C22 | C23 | H222 | 120.1° | 120.0° |
| O21 | C22 | C23 | H221 | 120.2° | 120.0° |
| C22 | O21 | C20 | N19 | 175.0° | 180.0° |
| C22 | O21 | C20 | O30 | 5.4° | 0.0° |
| O21 | C22 | H222 | H221 | 119.6° | 120.0° |
| C20 | O21 | C22 | C23 | 143.6° | 180.0° |
| O21 | C20 | N19 | O30 | 179.6° | 180.0° |
| O21 | C20 | N19 | C14 | 176.6° | 175.3° |
| C20 | O21 | C22 | H222 | 23.5° | 60.0° |
| C20 | O21 | C22 | H221 | 96.2° | 60.0° |
| O21 | C20 | N19 | H191 | 3.5° | 4.8° |
| C24 | C23 | C22 | H222 | 59.0° | 150.0° |
| C24 | C23 | C22 | H221 | 60.7° | 30.0° |
| C23 | C24 | C25 | H251 | 179.8° | 179.7° |
| C24 | C23 | C29 | H291 | 179.9° | 179.7° |
| C23 | C22 | H222 | H221 | 119.6° | 120.0° |
| C22 | C23 | C24 | H241 | 1.2° | 0.0° |
| C22 | C23 | C29 | H291 | 0.9° | 0.3° |
| C20 | N19 | C14 | H191 | 180.0° | 180.0° |
| C20 | N19 | C14 | C02 | 69.5° | 83.8° |
| C20 | N19 | C14 | H141 | 50.9° | 36.2° |
| N19 | C14 | C02 | O01 | 40.1° | 0.0° |
| C14 | N19 | C20 | O30 | 3.8° | 4.7° |
| N19 | C14 | C02 | H141 | 121.2° | 120.1° |
| N19 | C14 | C02 | N03 | 139.3° | 180.0° |
| N19 | C14 | C15 | H151 | 113.3° | 54.4° |
| N19 | C14 | C15 | H152 | 8.0° | 174.4° |
| O01 | C02 | C14 | N03 | 179.4° | 180.0° |
| O01 | C02 | N03 | C04 | 0.2° | 0.0° |
| O01 | C02 | C14 | H141 | 161.3° | 120.0° |
| O01 | C02 | N03 | H031 | 179.7° | 180.0° |
| C17 | C16 | C15 | H151 | 169.7° | 56.1° |
| C17 | C16 | C15 | H152 | 48.5° | 63.8° |
| C16 | C17 | H171 | H172 | 144.7° | 145.7° |
| O30 | C20 | N19 | H191 | 176.2° | 175.3° |
| C14 | C02 | N03 | C04 | 179.2° | 180.0° |
| C02 | C14 | C15 | H151 | 4.3° | 65.7° |
| C02 | C14 | C15 | H152 | 125.5° | 54.3° |
| C14 | C02 | N03 | H031 | 0.8° | 0.0° |
| C02 | C14 | N19 | H191 | 110.5° | 96.1° |
| C02 | N03 | C04 | H031 | 180.0° | 180.0° |
| C02 | N03 | C04 | C12 | 115.4° | 83.0° |
| C02 | N03 | C04 | C05 | 122.8° | 157.0° |
| C02 | N03 | C04 | H041 | 4.4° | 36.9° |
| N03 | C02 | C14 | H141 | 18.0° | 59.9° |
| N03 | C04 | C12 | C05 | 120.0° | 120.0° |
| N03 | C04 | C12 | H041 | 120.3° | 120.0° |
| N03 | C04 | C05 | H041 | 119.0° | 120.0° |
| N03 | C04 | C12 | O13 | 173.0° | 65.0° |
| N03 | C04 | C05 | C06 | 68.7° | 63.8° |
| N03 | C04 | C05 | H052 | 51.4° | 56.2° |
| N03 | C04 | C05 | H051 | 171.2° | 176.2° |
| N03 | C04 | C12 | H121 | 51.8° | 54.9° |
| N03 | C04 | C12 | H1 | 65.9° | 175.0° |
| C08 | C07 | C06 | H072 | 119.3° | 118.0° |
| C08 | C07 | C06 | H071 | 119.4° | 118.2° |
| C07 | C08 | N09 | H082 | 119.3° | 119.1° |
| C07 | C08 | N09 | H081 | 119.3° | 118.9° |
| C08 | C07 | C06 | C05 | 152.7° | 143.5° |
| C08 | C07 | C06 | C10 | 26.1° | 24.8° |
| C07 | C08 | N09 | C10 | 15.4° | 16.6° |
| C08 | C07 | C06 | H061 | 90.0° | 93.9° |
| C08 | C07 | H072 | H071 | 121.9° | 123.7° |
| C07 | C08 | H082 | H081 | 122.1° | 122.0° |
| C07 | C08 | N09 | H091 | 164.6° | 163.1° |
| C07 | C06 | C05 | C04 | 65.6° | 70.2° |
| C06 | C07 | C08 | N09 | 25.9° | 25.2° |
| C07 | C06 | C05 | C10 | 118.0° | 114.8° |
| C07 | C06 | C05 | H061 | 117.7° | 122.7° |
| C07 | C06 | C10 | H061 | 116.0° | 118.8° |
| C07 | C06 | C10 | N09 | 17.3° | 16.5° |
| C07 | C06 | C10 | O11 | 164.6° | 163.8° |
| C07 | C06 | C05 | H052 | 174.3° | 169.7° |
| C07 | C06 | C05 | H051 | 54.5° | 49.7° |
| C06 | C07 | H072 | H071 | 121.9° | 124.0° |
| C06 | C07 | C08 | H082 | 145.2° | 144.4° |
| C06 | C07 | C08 | H081 | 93.4° | 93.6° |
| C12 | C04 | C05 | H041 | 119.7° | 120.0° |
| C04 | C12 | O13 | H121 | 121.2° | 119.9° |
| C04 | C12 | O13 | H1 | 121.2° | 120.0° |
| C12 | C04 | C05 | C06 | 170.0° | 176.2° |
| C12 | C04 | C05 | H052 | 69.9° | 63.8° |
| C12 | C04 | C05 | H051 | 49.9° | 56.2° |
| C04 | C12 | H121 | H1 | 116.3° | 120.1° |
| C12 | C04 | N03 | H031 | 64.6° | 96.9° |
| C04 | C12 | O13 | H2 | 180.0° | 180.0° |
| C05 | C04 | C12 | O13 | 52.9° | 55.0° |
| C04 | C05 | C06 | H052 | 120.1° | 120.0° |
| C04 | C05 | C06 | H051 | 120.1° | 120.0° |
| C04 | C05 | C06 | C10 | 176.5° | 174.9° |
| C04 | C05 | H052 | H051 | 119.7° | 120.0° |
| C04 | C05 | C06 | H061 | 52.1° | 52.5° |
| C05 | C04 | C12 | H121 | 68.2° | 174.9° |
| C05 | C04 | N03 | H031 | 57.3° | 23.1° |
| C05 | C04 | C12 | H1 | 174.1° | 65.0° |
| C08 | N09 | C10 | C06 | 1.0° | 0.0° |
| C08 | N09 | C10 | H091 | 180.0° | 179.7° |
| C08 | N09 | C10 | O11 | 179.2° | 179.7° |
| N09 | C08 | C07 | H072 | 145.3° | 92.7° |
| N09 | C08 | C07 | H071 | 93.5° | 143.6° |
| N09 | C08 | H082 | H081 | 122.1° | 121.8° |
| O13 | C12 | C04 | H041 | 66.7° | 175.1° |
| O13 | C12 | H121 | H1 | 116.3° | 120.0° |
| C05 | C06 | C10 | H061 | 124.0° | 122.5° |
| C05 | C06 | C10 | N09 | 137.3° | 135.2° |
| C05 | C06 | C10 | O11 | 44.6° | 45.1° |
| C06 | C05 | C04 | H041 | 50.3° | 56.2° |
| C06 | C05 | H052 | H051 | 119.7° | 120.0° |
| C05 | C06 | C07 | H072 | 88.0° | 25.5° |
| C05 | C06 | C07 | H071 | 33.3° | 98.4° |
| C06 | C10 | N09 | O11 | 178.2° | 179.7° |
| C10 | C06 | C05 | H052 | 56.4° | 54.9° |
| C10 | C06 | C05 | H051 | 63.5° | 65.1° |
| C10 | C06 | C07 | H072 | 145.5° | 93.2° |
| C10 | C06 | C07 | H071 | 93.2° | 142.9° |
| C06 | C10 | N09 | H091 | 179.0° | 179.6° |
| N09 | C10 | C06 | H061 | 98.7° | 102.4° |
| C10 | N09 | C08 | H082 | 134.7° | 135.8° |
| C10 | N09 | C08 | H081 | 103.9° | 102.3° |
| O11 | C10 | C06 | H061 | 79.4° | 77.4° |
| O11 | C10 | N09 | H091 | 0.8° | 0.6° |
| H151 | C15 | C14 | H141 | 124.8° | 174.4° |
| H151 | C15 | C16 | H161 | 43.2° | 89.6° |
| H152 | C15 | C14 | H141 | 113.9° | 65.6° |
| H152 | C15 | C16 | H161 | 164.5° | 150.5° |
| H171 | C17 | C16 | H161 | 142.4° | 0.0° |
| H171 | C17 | C18 | H181 | 0.1° | 0.1° |
| H171 | C17 | C18 | H182 | 141.1° | 144.9° |
| H172 | C17 | C16 | H161 | 1.4° | 145.0° |
| H172 | C17 | C18 | H181 | 141.2° | 145.0° |
| H172 | C17 | C18 | H182 | 0.1° | 0.0° |
| H241 | C24 | C25 | H251 | 0.2° | 0.1° |
| H261 | C26 | C25 | H251 | 0.0° | 0.0° |
| H041 | C04 | C05 | H052 | 170.4° | 176.2° |
| H041 | C04 | C05 | H051 | 69.8° | 63.8° |
| H041 | C04 | C12 | H121 | 172.1° | 65.0° |
| H041 | C04 | N03 | H031 | 175.6° | 143.1° |
| H041 | C04 | C12 | H1 | 54.4° | 55.0° |
| H052 | C05 | C06 | H061 | 68.0° | 67.6° |
| H051 | C05 | C06 | H061 | 172.2° | 172.4° |
| H061 | C06 | C07 | H072 | 29.4° | 148.1° |
| H061 | C06 | C07 | H071 | 150.7° | 24.2° |
| H072 | C07 | C08 | H082 | 95.4° | 26.4° |
| H072 | C07 | C08 | H081 | 26.0° | 148.5° |
| H071 | C07 | C08 | H082 | 25.8° | 97.3° |
| H071 | C07 | C08 | H081 | 147.2° | 24.8° |
| H082 | C08 | N09 | H091 | 45.3° | 43.9° |
| H081 | C08 | N09 | H091 | 76.1° | 78.0° |
| H121 | C12 | O13 | H2 | 58.8° | 60.1° |
| H141 | C14 | N19 | H191 | 129.1° | 143.8° |
| H161 | C16 | C18 | H181 | 142.4° | 0.0° |
| H161 | C16 | C18 | H182 | 1.0° | 145.0° |
| H1 | C12 | O13 | H2 | 58.9° | 59.9° |
