S4R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F38 | C36 | sing | 1.40Å | 1.34Å | |
| N33 | C34 | doub | 1.32Å | 1.35Å | Aromatic |
| N33 | C32 | sing | 1.32Å | 1.37Å | Aromatic |
| C36 | F37 | sing | 1.40Å | 1.35Å | |
| C36 | F39 | sing | 1.40Å | 1.35Å | |
| C36 | C32 | sing | 1.51Å | 1.60Å | |
| C34 | C35 | sing | 1.38Å | 1.42Å | Aromatic |
| C32 | C31 | doub | 1.38Å | 1.43Å | Aromatic |
| C35 | C30 | doub | 1.40Å | 1.42Å | Aromatic |
| C31 | C30 | sing | 1.40Å | 1.44Å | Aromatic |
| C31 | F40 | sing | 1.35Å | 1.33Å | |
| C30 | C28 | sing | 1.48Å | 1.59Å | |
| C28 | O29 | doub | 1.22Å | 1.23Å | |
| C28 | N03 | sing | 1.35Å | 1.46Å | |
| C04 | N03 | sing | 1.47Å | 1.53Å | |
| C04 | C05 | sing | 1.53Å | 1.50Å | |
| N03 | C02 | sing | 1.47Å | 1.48Å | |
| C05 | C06 | sing | 1.53Å | 1.59Å | |
| C02 | C01 | sing | 1.53Å | 1.49Å | |
| C06 | N07 | sing | 1.47Å | 1.48Å | |
| C06 | C01 | sing | 1.53Å | 1.58Å | |
| N07 | C08 | sing | 1.48Å | 1.54Å | |
| N07 | C10 | sing | 1.48Å | 1.46Å | |
| C08 | C09 | sing | 1.54Å | 1.54Å | |
| N13 | C12 | trip | 1.14Å | 1.18Å | |
| C12 | C11 | sing | 1.47Å | 1.54Å | |
| C11 | C09 | sing | 1.53Å | 1.56Å | |
| C10 | C09 | sing | 1.54Å | 1.55Å | |
| C09 | N14 | sing | 1.47Å | 1.53Å | |
| C22 | C21 | doub | 1.34Å | 1.38Å | Aromatic |
| C22 | N23 | sing | 1.37Å | 1.41Å | Aromatic |
| C21 | C20 | sing | 1.46Å | 1.45Å | Aromatic |
| C15 | N14 | sing | 1.35Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.37Å | 1.41Å | Aromatic |
| N14 | N18 | sing | 1.40Å | 1.39Å | Aromatic |
| N23 | C24 | sing | 1.37Å | 1.43Å | Aromatic |
| C20 | C24 | doub | 1.41Å | 1.43Å | Aromatic |
| C20 | C19 | sing | 1.41Å | 1.45Å | Aromatic |
| C16 | C19 | sing | 1.48Å | 1.52Å | |
| C16 | C17 | sing | 1.41Å | 1.45Å | Aromatic |
| N18 | C17 | doub | 1.31Å | 1.37Å | Aromatic |
| C24 | N25 | sing | 1.33Å | 1.39Å | Aromatic |
| C19 | N27 | doub | 1.33Å | 1.35Å | Aromatic |
| N25 | C26 | doub | 1.32Å | 1.35Å | Aromatic |
| N27 | C26 | sing | 1.32Å | 1.39Å | Aromatic |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| N23 | H231 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F38 | C36 | F37 | 108.5° | 109.5° |
| F38 | C36 | F39 | 109.3° | 109.5° |
| F38 | C36 | C32 | 111.3° | 109.5° |
| C34 | N33 | C32 | 119.3° | 122.1° |
| N33 | C34 | C35 | 121.3° | 121.0° |
| N33 | C34 | H341 | 119.4° | 119.5° |
| N33 | C32 | C36 | 117.6° | 119.6° |
| N33 | C32 | C31 | 123.3° | 120.8° |
| F37 | C36 | F39 | 106.5° | 109.4° |
| F37 | C36 | C32 | 111.0° | 109.5° |
| F39 | C36 | C32 | 110.1° | 109.5° |
| C36 | C32 | C31 | 119.1° | 119.6° |
| C34 | C35 | C30 | 121.3° | 119.0° |
| C35 | C34 | H341 | 119.3° | 119.5° |
| C34 | C35 | H351 | 119.4° | 120.5° |
| C32 | C31 | C30 | 117.8° | 118.9° |
| C32 | C31 | F40 | 119.9° | 120.5° |
| C35 | C30 | C31 | 117.1° | 118.1° |
| C35 | C30 | C28 | 121.2° | 120.9° |
| C30 | C35 | H351 | 119.4° | 120.5° |
| C30 | C31 | F40 | 122.2° | 120.5° |
| C31 | C30 | C28 | 121.7° | 121.0° |
| C30 | C28 | O29 | 116.5° | 120.0° |
| C30 | C28 | N03 | 122.0° | 120.0° |
| O29 | C28 | N03 | 121.4° | 120.0° |
| C28 | N03 | C04 | 130.4° | 120.7° |
| C28 | N03 | C02 | 124.7° | 120.6° |
| N03 | C04 | C05 | 112.8° | 108.8° |
| C04 | N03 | C02 | 104.8° | 118.7° |
| N03 | C04 | H042 | 108.6° | 109.5° |
| N03 | C04 | H041 | 108.6° | 109.6° |
| C04 | C05 | C06 | 107.4° | 109.3° |
| C05 | C04 | H042 | 108.6° | 109.6° |
| C05 | C04 | H041 | 108.6° | 109.6° |
| C04 | C05 | H052 | 110.0° | 109.5° |
| C04 | C05 | H051 | 110.0° | 109.5° |
| N03 | C02 | C01 | 117.1° | 108.8° |
| N03 | C02 | H022 | 107.6° | 109.6° |
| N03 | C02 | H021 | 107.5° | 109.7° |
| C05 | C06 | N07 | 93.6° | 109.5° |
| C05 | C06 | C01 | 112.0° | 109.5° |
| C06 | C05 | H052 | 110.0° | 109.5° |
| C06 | C05 | H051 | 110.0° | 109.4° |
| C05 | C06 | H061 | 108.9° | 109.4° |
| C02 | C01 | C06 | 108.0° | 109.4° |
| C02 | C01 | H011 | 109.8° | 109.5° |
| C02 | C01 | H012 | 109.9° | 109.5° |
| C01 | C02 | H022 | 107.5° | 109.5° |
| C01 | C02 | H021 | 107.5° | 109.6° |
| N07 | C06 | C01 | 121.7° | 109.5° |
| C06 | N07 | C08 | 111.4° | 111.0° |
| C06 | N07 | C10 | 107.9° | 111.0° |
| N07 | C06 | H061 | 110.4° | 109.5° |
| C06 | C01 | H011 | 109.8° | 109.5° |
| C06 | C01 | H012 | 109.8° | 109.5° |
| C01 | C06 | H061 | 109.0° | 109.5° |
| C08 | N07 | C10 | 94.8° | 90.7° |
| N07 | C08 | C09 | 84.2° | 86.2° |
| N07 | C08 | H082 | 115.4° | 113.8° |
| N07 | C08 | H081 | 115.3° | 113.9° |
| N07 | C10 | C09 | 86.5° | 86.2° |
| N07 | C10 | H101 | 114.9° | 113.8° |
| N07 | C10 | H102 | 114.9° | 113.9° |
| C08 | C09 | C11 | 114.4° | 113.7° |
| C08 | C09 | C10 | 91.1° | 86.3° |
| C08 | C09 | N14 | 116.9° | 113.8° |
| C09 | C08 | H082 | 115.4° | 113.8° |
| C09 | C08 | H081 | 115.4° | 113.7° |
| N13 | C12 | C11 | 172.5° | 179.9° |
| C12 | C11 | C09 | 111.5° | 109.4° |
| C12 | C11 | H112 | 109.0° | 109.5° |
| C12 | C11 | H111 | 109.0° | 109.4° |
| C11 | C09 | C10 | 110.0° | 113.7° |
| C11 | C09 | N14 | 106.2° | 113.0° |
| C09 | C11 | H112 | 108.9° | 109.5° |
| C09 | C11 | H111 | 108.9° | 109.4° |
| C10 | C09 | N14 | 117.9° | 113.7° |
| C09 | C10 | H101 | 114.9° | 113.8° |
| C09 | C10 | H102 | 114.9° | 113.8° |
| C09 | N14 | C15 | 123.7° | 125.8° |
| C09 | N14 | N18 | 126.0° | 125.9° |
| C21 | C22 | N23 | 108.6° | 109.8° |
| C22 | C21 | C20 | 109.5° | 106.8° |
| C22 | C21 | H211 | 125.2° | 126.6° |
| C21 | C22 | H221 | 125.7° | 125.1° |
| C22 | N23 | C24 | 108.1° | 110.0° |
| N23 | C22 | H221 | 125.7° | 125.1° |
| C22 | N23 | H231 | 125.9° | 125.0° |
| C21 | C20 | C24 | 105.9° | 106.2° |
| C21 | C20 | C19 | 136.7° | 135.2° |
| C20 | C21 | H211 | 125.2° | 126.6° |
| N14 | C15 | C16 | 108.4° | 107.6° |
| C15 | N14 | N18 | 110.2° | 108.3° |
| N14 | C15 | H151 | 125.8° | 126.3° |
| C15 | C16 | C19 | 128.1° | 126.3° |
| C15 | C16 | C17 | 104.3° | 107.4° |
| C16 | C15 | H151 | 125.8° | 126.1° |
| N14 | N18 | C17 | 106.4° | 108.6° |
| N23 | C24 | C20 | 107.8° | 107.1° |
| N23 | C24 | N25 | 131.8° | 134.4° |
| C24 | N23 | H231 | 125.9° | 125.0° |
| C24 | C20 | C19 | 117.4° | 118.6° |
| C20 | C24 | N25 | 120.3° | 118.5° |
| C20 | C19 | C16 | 124.9° | 120.9° |
| C20 | C19 | N27 | 120.8° | 118.2° |
| C19 | C16 | C17 | 127.2° | 126.3° |
| C16 | C19 | N27 | 114.0° | 120.9° |
| C16 | C17 | N18 | 110.5° | 108.0° |
| C16 | C17 | H171 | 124.7° | 126.0° |
| N18 | C17 | H171 | 124.8° | 126.0° |
| C24 | N25 | C26 | 118.3° | 120.8° |
| C19 | N27 | C26 | 118.1° | 121.0° |
| N25 | C26 | N27 | 125.0° | 122.7° |
| N25 | C26 | H261 | 117.5° | 118.6° |
| N27 | C26 | H261 | 117.5° | 118.6° |
| H101 | C10 | H102 | 109.5° | 112.9° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H022 | C02 | H021 | 109.4° | 109.6° |
| H042 | C04 | H041 | 109.5° | 109.7° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.5° | 112.9° |
| H112 | C11 | H111 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F38 | C36 | C32 | N33 | 6.3° | 30.1° |
| F38 | C36 | F37 | F39 | 117.5° | 120.0° |
| F38 | C36 | F37 | C32 | 122.6° | 120.1° |
| F38 | C36 | F39 | C32 | 122.5° | 120.0° |
| F38 | C36 | C32 | C31 | 173.5° | 150.0° |
| C34 | N33 | C32 | C36 | 179.9° | 179.7° |
| N33 | C34 | C35 | H341 | 180.0° | 179.9° |
| C34 | N33 | C32 | C31 | 0.2° | 0.2° |
| N33 | C34 | C35 | C30 | 0.0° | 0.1° |
| N33 | C34 | C35 | H351 | 180.0° | 180.0° |
| N33 | C32 | C36 | F37 | 114.7° | 90.0° |
| N33 | C32 | C36 | F39 | 127.7° | 150.1° |
| N33 | C32 | C36 | C31 | 179.8° | 179.9° |
| C32 | N33 | C34 | C35 | 0.2° | 0.2° |
| N33 | C32 | C31 | C30 | 0.1° | 0.1° |
| N33 | C32 | C31 | F40 | 179.9° | 180.0° |
| C32 | N33 | C34 | H341 | 179.8° | 179.7° |
| F37 | C36 | F39 | C32 | 120.4° | 120.0° |
| F37 | C36 | C32 | C31 | 65.5° | 89.9° |
| F39 | C36 | C32 | C31 | 52.2° | 30.0° |
| C36 | C32 | C31 | C30 | 179.9° | 180.0° |
| C36 | C32 | C31 | F40 | 0.3° | 0.1° |
| C34 | C35 | C30 | H351 | 180.0° | 180.0° |
| C34 | C35 | C30 | C31 | 0.1° | 0.3° |
| C34 | C35 | C30 | C28 | 179.6° | 180.0° |
| C32 | C31 | C30 | C35 | 0.1° | 0.3° |
| C32 | C31 | C30 | F40 | 179.8° | 179.9° |
| C32 | C31 | C30 | C28 | 179.5° | 180.0° |
| C35 | C30 | C31 | C28 | 179.5° | 179.6° |
| C35 | C30 | C31 | F40 | 179.7° | 179.7° |
| C35 | C30 | C28 | O29 | 64.7° | 126.6° |
| C35 | C30 | C28 | N03 | 112.4° | 53.5° |
| C30 | C35 | C34 | H341 | 180.0° | 180.0° |
| C31 | C30 | C28 | O29 | 115.8° | 53.1° |
| C31 | C30 | C28 | N03 | 67.0° | 126.8° |
| C31 | C30 | C35 | H351 | 179.8° | 179.7° |
| F40 | C31 | C30 | C28 | 0.2° | 0.1° |
| C30 | C28 | O29 | N03 | 177.2° | 179.9° |
| C30 | C28 | N03 | C04 | 4.5° | 174.1° |
| C30 | C28 | N03 | C02 | 179.4° | 5.9° |
| C28 | C30 | C35 | H351 | 0.4° | 0.0° |
| O29 | C28 | N03 | C04 | 178.5° | 6.0° |
| O29 | C28 | N03 | C02 | 3.5° | 174.0° |
| C28 | N03 | C04 | C02 | 175.7° | 179.9° |
| C28 | N03 | C04 | C05 | 112.1° | 126.4° |
| C28 | N03 | C02 | C01 | 114.4° | 126.5° |
| C28 | N03 | C02 | H022 | 124.5° | 113.8° |
| C28 | N03 | C02 | H021 | 6.7° | 6.6° |
| C28 | N03 | C04 | H042 | 8.4° | 6.7° |
| C28 | N03 | C04 | H041 | 127.4° | 113.7° |
| N03 | C04 | C05 | H042 | 120.5° | 119.7° |
| N03 | C04 | C05 | H041 | 120.5° | 119.9° |
| N03 | C04 | C05 | C06 | 61.4° | 54.7° |
| C04 | N03 | C02 | C01 | 61.6° | 53.6° |
| C04 | N03 | C02 | H022 | 59.5° | 66.1° |
| C04 | N03 | C02 | H021 | 177.3° | 173.5° |
| N03 | C04 | H042 | H041 | 118.5° | 120.4° |
| N03 | C04 | C05 | H052 | 58.3° | 174.6° |
| N03 | C04 | C05 | H051 | 178.9° | 65.2° |
| C05 | C04 | N03 | C02 | 63.6° | 53.6° |
| C04 | C05 | C06 | H052 | 119.7° | 120.0° |
| C04 | C05 | C06 | H051 | 119.7° | 120.0° |
| C04 | C05 | C06 | N07 | 73.1° | 178.6° |
| C04 | C05 | C06 | C01 | 53.2° | 61.3° |
| C05 | C04 | H042 | H041 | 118.4° | 120.3° |
| C04 | C05 | H052 | H051 | 121.0° | 120.2° |
| C04 | C05 | C06 | H061 | 173.8° | 58.6° |
| N03 | C02 | C01 | H022 | 121.1° | 119.8° |
| N03 | C02 | C01 | H021 | 121.1° | 120.0° |
| N03 | C02 | C01 | C06 | 56.3° | 54.6° |
| N03 | C02 | C01 | H011 | 176.1° | 65.3° |
| N03 | C02 | C01 | H012 | 63.5° | 174.7° |
| N03 | C02 | H022 | H021 | 116.6° | 120.4° |
| C02 | N03 | C04 | H042 | 175.9° | 173.4° |
| C02 | N03 | C04 | H041 | 56.9° | 66.2° |
| C05 | C06 | C01 | C02 | 49.4° | 61.4° |
| C05 | C06 | N07 | C01 | 118.6° | 120.0° |
| C05 | C06 | N07 | H061 | 111.7° | 119.9° |
| C05 | C06 | C01 | H061 | 120.6° | 119.9° |
| C05 | C06 | N07 | C08 | 84.2° | 55.6° |
| C05 | C06 | N07 | C10 | 173.0° | 155.0° |
| C05 | C06 | C01 | H011 | 169.1° | 58.6° |
| C05 | C06 | C01 | H012 | 70.4° | 178.6° |
| C06 | C05 | C04 | H042 | 178.1° | 174.4° |
| C06 | C05 | C04 | H041 | 59.1° | 65.2° |
| C06 | C05 | H052 | H051 | 120.9° | 120.0° |
| C02 | C01 | C06 | N07 | 59.8° | 178.6° |
| C02 | C01 | C06 | H011 | 119.8° | 120.0° |
| C02 | C01 | C06 | H012 | 119.8° | 120.0° |
| C02 | C01 | H011 | H012 | 120.7° | 120.0° |
| C01 | C02 | H022 | H021 | 116.5° | 120.3° |
| C02 | C01 | C06 | H061 | 169.9° | 58.6° |
| N07 | C06 | C01 | H061 | 130.3° | 120.1° |
| C06 | N07 | C08 | C10 | 111.4° | 112.9° |
| C06 | N07 | C08 | C09 | 125.7° | 137.6° |
| C06 | N07 | C10 | C09 | 128.5° | 137.6° |
| C06 | N07 | C10 | H101 | 115.7° | 23.2° |
| C06 | N07 | C10 | H102 | 12.6° | 108.0° |
| N07 | C06 | C01 | H011 | 60.0° | 61.4° |
| N07 | C06 | C01 | H012 | 179.6° | 58.6° |
| N07 | C06 | C05 | H052 | 167.2° | 58.7° |
| N07 | C06 | C05 | H051 | 46.6° | 61.4° |
| C06 | N07 | C08 | H082 | 10.3° | 108.1° |
| C06 | N07 | C08 | H081 | 118.9° | 23.3° |
| C01 | C06 | N07 | C08 | 157.2° | 175.6° |
| C01 | C06 | N07 | C10 | 54.4° | 85.0° |
| C06 | C01 | H011 | H012 | 120.7° | 120.0° |
| C06 | C01 | C02 | H022 | 64.8° | 65.1° |
| C06 | C01 | C02 | H021 | 177.4° | 174.6° |
| C01 | C06 | C05 | H052 | 66.5° | 178.7° |
| C01 | C06 | C05 | H051 | 172.9° | 58.6° |
| N07 | C08 | C09 | H082 | 115.4° | 114.4° |
| N07 | C08 | C09 | H081 | 115.3° | 114.4° |
| N07 | C08 | C09 | C11 | 99.2° | 90.6° |
| C08 | N07 | C10 | C09 | 14.2° | 24.7° |
| N07 | C08 | C09 | N14 | 135.7° | 138.1° |
| C08 | N07 | C10 | H101 | 130.0° | 89.7° |
| C08 | N07 | C10 | H102 | 101.7° | 139.0° |
| C08 | N07 | C06 | H061 | 27.5° | 64.3° |
| N07 | C08 | H082 | H081 | 132.1° | 131.8° |
| N07 | C10 | C09 | C11 | 102.4° | 90.7° |
| N07 | C10 | C09 | H101 | 115.8° | 114.3° |
| N07 | C10 | C09 | H102 | 115.8° | 114.5° |
| N07 | C10 | C09 | N14 | 135.6° | 138.1° |
| N07 | C10 | H101 | H102 | 131.0° | 131.7° |
| C10 | N07 | C06 | H061 | 75.3° | 35.0° |
| C10 | N07 | C08 | H082 | 101.0° | 139.0° |
| C10 | N07 | C08 | H081 | 129.7° | 89.6° |
| C08 | C09 | C11 | C12 | 61.3° | 83.3° |
| C08 | C09 | C11 | C10 | 100.8° | 96.7° |
| C08 | C09 | C11 | N14 | 130.5° | 131.7° |
| C08 | C09 | C10 | N14 | 121.5° | 114.4° |
| C08 | C09 | N14 | C15 | 42.5° | 68.3° |
| C08 | C09 | N14 | N18 | 142.7° | 111.7° |
| C08 | C09 | C10 | H101 | 130.0° | 90.6° |
| C08 | C09 | C10 | H102 | 101.7° | 138.2° |
| C09 | C08 | H082 | H081 | 132.1° | 131.6° |
| C08 | C09 | C11 | H112 | 178.4° | 36.7° |
| C08 | C09 | C11 | H111 | 59.0° | 156.8° |
| N13 | C12 | C11 | C09 | 78.9° | 109.3° |
| N13 | C12 | C11 | H112 | 41.4° | 10.7° |
| N13 | C12 | C11 | H111 | 160.8° | 130.8° |
| C12 | C11 | C09 | H112 | 120.3° | 120.0° |
| C12 | C11 | C09 | H111 | 120.3° | 119.9° |
| C12 | C11 | C09 | C10 | 162.1° | 180.0° |
| C12 | C11 | C09 | N14 | 69.2° | 48.4° |
| C12 | C11 | H112 | H111 | 119.1° | 120.0° |
| C11 | C09 | C10 | N14 | 122.0° | 131.2° |
| C11 | C09 | N14 | C15 | 86.6° | 63.4° |
| C11 | C09 | N14 | N18 | 88.2° | 116.6° |
| C11 | C09 | C10 | H101 | 13.4° | 155.0° |
| C11 | C09 | C10 | H102 | 141.7° | 23.8° |
| C11 | C09 | C08 | H082 | 145.4° | 23.8° |
| C11 | C09 | C08 | H081 | 16.1° | 154.9° |
| C09 | C11 | H112 | H111 | 119.0° | 120.0° |
| C10 | C09 | N14 | C15 | 149.5° | 165.0° |
| C10 | C09 | N14 | N18 | 35.7° | 14.9° |
| C09 | C10 | H101 | H102 | 131.0° | 131.6° |
| C10 | C09 | C08 | H082 | 102.0° | 138.1° |
| C10 | C09 | C08 | H081 | 128.7° | 90.7° |
| C10 | C09 | C11 | H112 | 77.6° | 60.0° |
| C10 | C09 | C11 | H111 | 41.8° | 60.0° |
| C09 | N14 | C15 | N18 | 175.5° | 180.0° |
| C09 | N14 | C15 | C16 | 178.9° | 179.9° |
| C09 | N14 | N18 | C17 | 177.1° | 179.9° |
| N14 | C09 | C10 | H101 | 108.6° | 23.8° |
| N14 | C09 | C10 | H102 | 19.7° | 107.4° |
| C09 | N14 | C15 | H151 | 1.1° | 0.3° |
| N14 | C09 | C08 | H082 | 20.3° | 107.6° |
| N14 | C09 | C08 | H081 | 108.9° | 23.6° |
| N14 | C09 | C11 | H112 | 51.1° | 168.4° |
| N14 | C09 | C11 | H111 | 170.4° | 71.6° |
| C21 | C22 | N23 | H221 | 180.0° | 179.9° |
| C22 | C21 | C20 | H211 | 180.0° | 179.9° |
| C21 | C22 | N23 | C24 | 0.0° | 0.0° |
| C22 | C21 | C20 | C24 | 0.1° | 0.0° |
| C22 | C21 | C20 | C19 | 178.6° | 179.8° |
| C21 | C22 | N23 | H231 | 180.0° | 179.9° |
| N23 | C22 | C21 | C20 | 0.1° | 0.0° |
| C22 | N23 | C24 | H231 | 180.0° | 180.0° |
| C22 | N23 | C24 | C20 | 0.0° | 0.0° |
| C22 | N23 | C24 | N25 | 179.9° | 179.7° |
| N23 | C22 | C21 | H211 | 180.0° | 180.0° |
| C21 | C20 | C24 | N23 | 0.0° | 0.0° |
| C21 | C20 | C24 | C19 | 178.9° | 179.8° |
| C21 | C20 | C19 | C16 | 5.1° | 0.3° |
| C21 | C20 | C24 | N25 | 179.9° | 179.8° |
| C21 | C20 | C19 | N27 | 179.3° | 179.7° |
| C20 | C21 | C22 | H221 | 180.0° | 179.9° |
| N14 | C15 | C16 | H151 | 180.0° | 179.8° |
| N14 | C15 | C16 | C19 | 176.7° | 179.9° |
| N14 | C15 | C16 | C17 | 3.5° | 0.0° |
| C15 | N14 | N18 | C17 | 1.8° | 0.0° |
| C16 | C15 | N14 | N18 | 3.4° | 0.0° |
| C15 | C16 | C19 | C20 | 18.9° | 145.0° |
| C15 | C16 | C19 | C17 | 171.7° | 179.9° |
| C15 | C16 | C17 | N18 | 2.5° | 0.0° |
| C15 | C16 | C19 | N27 | 155.6° | 35.0° |
| C15 | C16 | C17 | H171 | 177.5° | 179.9° |
| N14 | N18 | C17 | C16 | 0.5° | 0.0° |
| N18 | N14 | C15 | H151 | 176.6° | 179.7° |
| N14 | N18 | C17 | H171 | 179.5° | 179.9° |
| N23 | C24 | C20 | N25 | 179.9° | 179.8° |
| N23 | C24 | C20 | C19 | 178.9° | 179.8° |
| N23 | C24 | N25 | C26 | 179.9° | 179.7° |
| C24 | N23 | C22 | H221 | 180.0° | 179.9° |
| C24 | C20 | C19 | C16 | 176.4° | 179.9° |
| C24 | C20 | C19 | N27 | 2.3° | 0.1° |
| C20 | C24 | N25 | C26 | 0.3° | 0.0° |
| C24 | C20 | C21 | H211 | 180.0° | 180.0° |
| C20 | C24 | N23 | H231 | 180.0° | 180.0° |
| C20 | C19 | C16 | N27 | 174.5° | 180.0° |
| C20 | C19 | C16 | C17 | 169.4° | 35.0° |
| C19 | C20 | C24 | N25 | 1.0° | 0.0° |
| C20 | C19 | N27 | C26 | 2.2° | 0.0° |
| C19 | C20 | C21 | H211 | 1.4° | 0.3° |
| C19 | C16 | C17 | N18 | 175.8° | 180.0° |
| C16 | C19 | N27 | C26 | 177.0° | 180.0° |
| C19 | C16 | C15 | H151 | 3.3° | 0.3° |
| C19 | C16 | C17 | H171 | 4.2° | 0.0° |
| C16 | C17 | N18 | H171 | 180.0° | 179.9° |
| C17 | C16 | C19 | N27 | 16.1° | 145.0° |
| C17 | C16 | C15 | H151 | 176.5° | 179.8° |
| C24 | N25 | C26 | N27 | 0.3° | 0.0° |
| C24 | N25 | C26 | H261 | 179.7° | 180.0° |
| N25 | C24 | N23 | H231 | 0.1° | 0.3° |
| C19 | N27 | C26 | N25 | 0.9° | 0.0° |
| C19 | N27 | C26 | H261 | 179.1° | 180.0° |
| N25 | C26 | N27 | H261 | 180.0° | 179.9° |
| H211 | C21 | C22 | H221 | 0.0° | 0.1° |
| H221 | C22 | N23 | H231 | 0.0° | 0.0° |
| H011 | C01 | C02 | H022 | 54.9° | 174.9° |
| H011 | C01 | C02 | H021 | 62.8° | 54.6° |
| H011 | C01 | C06 | H061 | 70.3° | 178.5° |
| H012 | C01 | C02 | H022 | 175.4° | 54.9° |
| H012 | C01 | C02 | H021 | 57.6° | 65.4° |
| H012 | C01 | C06 | H061 | 50.1° | 61.4° |
| H042 | C04 | C05 | H052 | 62.2° | 65.7° |
| H042 | C04 | C05 | H051 | 58.4° | 54.5° |
| H041 | C04 | C05 | H052 | 178.8° | 54.7° |
| H041 | C04 | C05 | H051 | 60.6° | 174.9° |
| H052 | C05 | C06 | H061 | 54.2° | 61.3° |
| H051 | C05 | C06 | H061 | 66.4° | 178.6° |
| H341 | C34 | C35 | H351 | 0.0° | 0.0° |
