XNT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O29 | S26 | doub | 1.42Å | 1.44Å | |
| S26 | O28 | doub | 1.42Å | 1.45Å | |
| S26 | C27 | sing | 1.81Å | 1.78Å | |
| S26 | C25 | sing | 1.81Å | 1.83Å | |
| C25 | C24 | sing | 1.51Å | 1.54Å | |
| CL31 | C30 | sing | 1.74Å | 1.76Å | |
| C24 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C32 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C21 | doub | 1.39Å | 1.36Å | Aromatic |
| C22 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.48Å | 1.53Å | |
| O18 | C17 | doub | 1.22Å | 1.26Å | |
| C17 | O19 | sing | 1.35Å | 1.24Å | |
| C17 | C16 | sing | 1.47Å | 1.49Å | |
| C20 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C33 | sing | 1.47Å | 1.42Å | Aromatic |
| C16 | N15 | sing | 1.38Å | 1.34Å | Aromatic |
| C33 | C34 | doub | 1.40Å | 1.40Å | Aromatic |
| C33 | C14 | sing | 1.41Å | 1.40Å | Aromatic |
| C34 | C35 | sing | 1.37Å | 1.39Å | Aromatic |
| N15 | C14 | sing | 1.37Å | 1.35Å | Aromatic |
| C14 | C13 | doub | 1.39Å | 1.41Å | Aromatic |
| C35 | C36 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C02 | sing | 1.51Å | 1.55Å | |
| C06 | C05 | doub | 1.38Å | 1.41Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.41Å | Aromatic |
| C02 | O03 | sing | 1.43Å | 1.40Å | |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| C08 | C07 | sing | 1.51Å | 1.54Å | |
| C08 | C09 | sing | 1.53Å | 1.54Å | |
| C07 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | O03 | sing | 1.36Å | 1.43Å | |
| C04 | C12 | doub | 1.39Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.36Å | Aromatic |
| C09 | N10 | sing | 1.47Å | 1.47Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| N10 | H102 | sing | 1.01Å | 1.00Å | |
| N10 | H101 | sing | 1.01Å | 1.00Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| O19 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O29 | S26 | O28 | 110.2° | 119.2° |
| O29 | S26 | C27 | 107.7° | 108.6° |
| O29 | S26 | C25 | 111.8° | 108.6° |
| O28 | S26 | C27 | 107.1° | 108.6° |
| O28 | S26 | C25 | 111.0° | 108.6° |
| C27 | S26 | C25 | 108.7° | 101.9° |
| S26 | C27 | H271 | 109.5° | 109.5° |
| S26 | C27 | H273 | 109.4° | 109.5° |
| S26 | C27 | H272 | 109.5° | 109.5° |
| S26 | C25 | C24 | 111.3° | 109.5° |
| S26 | C25 | H252 | 109.0° | 109.5° |
| S26 | C25 | H251 | 109.0° | 109.5° |
| C25 | C24 | C30 | 122.2° | 119.8° |
| C25 | C24 | C23 | 119.7° | 119.9° |
| C24 | C25 | H252 | 109.0° | 109.4° |
| C24 | C25 | H251 | 109.0° | 109.5° |
| CL31 | C30 | C24 | 123.6° | 120.0° |
| CL31 | C30 | C32 | 114.4° | 120.0° |
| C30 | C24 | C23 | 118.1° | 120.3° |
| C24 | C30 | C32 | 122.0° | 120.1° |
| C24 | C23 | C22 | 120.0° | 120.2° |
| C24 | C23 | H231 | 120.0° | 119.9° |
| C30 | C32 | C21 | 119.6° | 119.9° |
| C30 | C32 | H321 | 120.2° | 120.0° |
| C23 | C22 | C21 | 121.2° | 119.9° |
| C23 | C22 | H221 | 119.4° | 120.1° |
| C22 | C23 | H231 | 120.0° | 119.9° |
| C32 | C21 | C22 | 119.0° | 119.7° |
| C32 | C21 | C20 | 120.6° | 120.2° |
| C21 | C32 | H321 | 120.2° | 120.1° |
| C22 | C21 | C20 | 120.3° | 120.1° |
| C21 | C22 | H221 | 119.4° | 120.0° |
| C21 | C20 | C16 | 125.6° | 126.7° |
| C21 | C20 | C33 | 129.3° | 126.8° |
| O18 | C17 | O19 | 123.0° | 120.0° |
| O18 | C17 | C16 | 116.6° | 120.0° |
| O19 | C17 | C16 | 120.2° | 120.0° |
| C17 | O19 | H2 | 109.5° | 113.9° |
| C17 | C16 | C20 | 126.1° | 125.5° |
| C17 | C16 | N15 | 123.8° | 125.5° |
| C16 | C20 | C33 | 105.1° | 106.5° |
| C20 | C16 | N15 | 110.0° | 109.0° |
| C20 | C33 | C34 | 132.9° | 133.6° |
| C20 | C33 | C14 | 107.8° | 106.4° |
| C16 | N15 | C14 | 110.0° | 110.1° |
| C16 | N15 | H151 | 125.0° | 125.0° |
| C34 | C33 | C14 | 119.3° | 120.0° |
| C33 | C34 | C35 | 119.0° | 119.8° |
| C33 | C34 | H341 | 120.5° | 120.1° |
| C33 | C14 | N15 | 107.1° | 108.0° |
| C33 | C14 | C13 | 122.3° | 119.1° |
| C34 | C35 | C36 | 121.5° | 120.5° |
| C35 | C34 | H341 | 120.5° | 120.1° |
| C34 | C35 | H351 | 119.3° | 119.8° |
| N15 | C14 | C13 | 130.6° | 132.9° |
| C14 | N15 | H151 | 125.0° | 124.9° |
| C14 | C13 | C36 | 117.4° | 119.9° |
| C14 | C13 | C02 | 119.2° | 120.0° |
| C35 | C36 | C13 | 120.4° | 120.7° |
| C36 | C35 | H351 | 119.3° | 119.7° |
| C35 | C36 | H361 | 119.8° | 119.6° |
| C36 | C13 | C02 | 123.4° | 120.1° |
| C13 | C36 | H361 | 119.8° | 119.7° |
| C13 | C02 | O03 | 117.1° | 109.5° |
| C13 | C02 | C01 | 105.8° | 109.5° |
| C13 | C02 | H021 | 107.6° | 109.5° |
| C05 | C06 | C07 | 118.7° | 120.1° |
| C06 | C05 | C04 | 119.3° | 119.9° |
| C06 | C05 | H051 | 120.3° | 120.1° |
| C05 | C06 | H061 | 120.6° | 120.0° |
| C06 | C07 | C08 | 123.0° | 120.0° |
| C06 | C07 | C11 | 121.1° | 120.1° |
| C07 | C06 | H061 | 120.7° | 119.9° |
| C05 | C04 | O03 | 125.0° | 120.1° |
| C05 | C04 | C12 | 119.9° | 119.9° |
| C04 | C05 | H051 | 120.4° | 120.0° |
| O03 | C02 | C01 | 108.5° | 109.5° |
| C02 | O03 | C04 | 119.6° | 117.0° |
| O03 | C02 | H021 | 109.7° | 109.4° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C01 | C02 | H021 | 107.7° | 109.5° |
| C07 | C08 | C09 | 112.3° | 109.4° |
| C08 | C07 | C11 | 115.9° | 119.9° |
| C07 | C08 | H082 | 108.8° | 109.5° |
| C07 | C08 | H081 | 108.7° | 109.4° |
| C08 | C09 | N10 | 114.4° | 109.5° |
| C09 | C08 | H082 | 108.7° | 109.5° |
| C09 | C08 | H081 | 108.7° | 109.5° |
| C08 | C09 | H092 | 108.2° | 109.5° |
| C08 | C09 | H091 | 108.2° | 109.5° |
| C07 | C11 | C12 | 120.6° | 120.0° |
| C07 | C11 | H111 | 119.7° | 120.0° |
| O03 | C04 | C12 | 115.1° | 120.0° |
| C04 | C12 | C11 | 120.5° | 120.0° |
| C04 | C12 | H121 | 119.7° | 120.0° |
| C12 | C11 | H111 | 119.7° | 120.0° |
| C11 | C12 | H121 | 119.8° | 120.0° |
| N10 | C09 | H092 | 108.2° | 109.4° |
| N10 | C09 | H091 | 108.2° | 109.4° |
| C09 | N10 | H102 | 109.5° | 111.0° |
| C09 | N10 | H101 | 109.5° | 111.0° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H013 | C01 | H012 | 109.4° | 109.5° |
| H082 | C08 | H081 | 109.5° | 109.5° |
| H092 | C09 | H091 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.5° |
| H271 | C27 | H273 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.4° | 109.5° |
| H273 | C27 | H272 | 109.5° | 109.4° |
| H102 | N10 | H101 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O29 | S26 | O28 | C27 | 117.0° | 125.0° |
| O29 | S26 | O28 | C25 | 124.5° | 125.0° |
| O29 | S26 | C27 | C25 | 121.4° | 114.5° |
| O29 | S26 | C25 | C24 | 178.7° | 65.5° |
| O29 | S26 | C25 | H252 | 58.4° | 54.5° |
| O29 | S26 | C25 | H251 | 61.1° | 174.5° |
| O29 | S26 | C27 | H271 | 180.0° | 54.5° |
| O29 | S26 | C27 | H273 | 60.0° | 174.5° |
| O29 | S26 | C27 | H272 | 60.0° | 65.5° |
| O28 | S26 | C27 | C25 | 120.0° | 114.5° |
| O28 | S26 | C25 | C24 | 55.1° | 65.5° |
| O28 | S26 | C25 | H252 | 65.2° | 174.5° |
| O28 | S26 | C25 | H251 | 175.4° | 54.5° |
| O28 | S26 | C27 | H271 | 61.4° | 174.5° |
| O28 | S26 | C27 | H273 | 178.6° | 54.4° |
| O28 | S26 | C27 | H272 | 58.6° | 65.5° |
| C27 | S26 | C25 | C24 | 62.5° | 180.0° |
| C27 | S26 | C25 | H252 | 177.2° | 60.0° |
| C27 | S26 | C25 | H251 | 57.8° | 60.0° |
| S26 | C27 | H271 | H273 | 120.0° | 120.0° |
| S26 | C27 | H271 | H272 | 120.0° | 120.0° |
| S26 | C27 | H273 | H272 | 120.0° | 120.0° |
| S26 | C25 | C24 | H252 | 120.3° | 120.0° |
| S26 | C25 | C24 | H251 | 120.3° | 120.0° |
| S26 | C25 | C24 | C30 | 87.3° | 90.0° |
| S26 | C25 | C24 | C23 | 92.5° | 89.7° |
| S26 | C25 | H252 | H251 | 119.1° | 120.0° |
| C25 | S26 | C27 | H271 | 58.6° | 60.0° |
| C25 | S26 | C27 | H273 | 61.4° | 60.0° |
| C25 | S26 | C27 | H272 | 178.6° | 180.0° |
| C25 | C24 | C30 | CL31 | 1.0° | 0.4° |
| C25 | C24 | C30 | C23 | 179.9° | 179.6° |
| C25 | C24 | C30 | C32 | 179.8° | 179.9° |
| C25 | C24 | C23 | C22 | 179.9° | 179.6° |
| C25 | C24 | C23 | H231 | 0.1° | 0.3° |
| C24 | C25 | H252 | H251 | 119.2° | 120.0° |
| CL31 | C30 | C24 | C32 | 178.8° | 179.7° |
| CL31 | C30 | C24 | C23 | 179.2° | 180.0° |
| CL31 | C30 | C32 | C21 | 179.9° | 179.7° |
| CL31 | C30 | C32 | H321 | 0.1° | 0.3° |
| C30 | C24 | C23 | C22 | 0.2° | 0.0° |
| C24 | C30 | C32 | C21 | 1.2° | 0.6° |
| C30 | C24 | C23 | H231 | 179.8° | 179.9° |
| C30 | C24 | C25 | H252 | 33.0° | 150.0° |
| C30 | C24 | C25 | H251 | 152.4° | 30.1° |
| C24 | C30 | C32 | H321 | 178.8° | 180.0° |
| C23 | C24 | C30 | C32 | 0.4° | 0.3° |
| C24 | C23 | C22 | H231 | 180.0° | 180.0° |
| C24 | C23 | C22 | C21 | 0.9° | 0.0° |
| C24 | C23 | C22 | H221 | 179.0° | 180.0° |
| C23 | C24 | C25 | H252 | 147.2° | 30.3° |
| C23 | C24 | C25 | H251 | 27.7° | 150.3° |
| C30 | C32 | C21 | H321 | 180.0° | 179.5° |
| C30 | C32 | C21 | C22 | 1.8° | 0.5° |
| C30 | C32 | C21 | C20 | 179.5° | 179.8° |
| C23 | C22 | C21 | C32 | 1.7° | 0.2° |
| C23 | C22 | C21 | H221 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 179.4° | 179.9° |
| C32 | C21 | C22 | C20 | 177.7° | 179.7° |
| C32 | C21 | C20 | C16 | 138.0° | 115.3° |
| C32 | C21 | C20 | C33 | 45.2° | 64.7° |
| C32 | C21 | C22 | H221 | 178.2° | 179.7° |
| C22 | C21 | C20 | C16 | 44.4° | 65.0° |
| C22 | C21 | C20 | C33 | 132.4° | 115.1° |
| C21 | C22 | C23 | H231 | 179.1° | 180.0° |
| C22 | C21 | C32 | H321 | 178.2° | 180.0° |
| C21 | C20 | C16 | C17 | 6.8° | 0.1° |
| C21 | C20 | C16 | C33 | 177.4° | 179.9° |
| C21 | C20 | C16 | N15 | 177.9° | 180.0° |
| C21 | C20 | C33 | C34 | 1.7° | 0.1° |
| C21 | C20 | C33 | C14 | 178.1° | 180.0° |
| C20 | C21 | C22 | H221 | 0.5° | 0.0° |
| C20 | C21 | C32 | H321 | 0.5° | 0.3° |
| O18 | C17 | O19 | C16 | 173.5° | 180.0° |
| O18 | C17 | C16 | C20 | 39.3° | 0.1° |
| O18 | C17 | C16 | N15 | 135.3° | 180.0° |
| O18 | C17 | O19 | H2 | 0.0° | 0.0° |
| O19 | C17 | C16 | C20 | 146.8° | 180.0° |
| O19 | C17 | C16 | N15 | 38.6° | 0.1° |
| C17 | C16 | C20 | N15 | 175.3° | 179.9° |
| C17 | C16 | C20 | C33 | 175.8° | 180.0° |
| C17 | C16 | N15 | C14 | 175.4° | 180.0° |
| C17 | C16 | N15 | H151 | 4.6° | 0.1° |
| C16 | C17 | O19 | H2 | 173.5° | 180.0° |
| C16 | C20 | C33 | C34 | 178.9° | 180.0° |
| C16 | C20 | C33 | C14 | 0.8° | 0.0° |
| C20 | C16 | N15 | C14 | 0.1° | 0.0° |
| C20 | C16 | N15 | H151 | 179.9° | 180.0° |
| C33 | C20 | C16 | N15 | 0.5° | 0.1° |
| C20 | C33 | C34 | C14 | 179.7° | 180.0° |
| C20 | C33 | C34 | C35 | 179.9° | 179.9° |
| C20 | C33 | C14 | N15 | 0.8° | 0.0° |
| C20 | C33 | C14 | C13 | 179.0° | 180.0° |
| C20 | C33 | C34 | H341 | 0.1° | 0.0° |
| C16 | N15 | C14 | C33 | 0.4° | 0.0° |
| C16 | N15 | C14 | H151 | 180.0° | 179.9° |
| C16 | N15 | C14 | C13 | 179.3° | 180.0° |
| C33 | C34 | C35 | H341 | 180.0° | 180.0° |
| C34 | C33 | C14 | N15 | 179.0° | 180.0° |
| C34 | C33 | C14 | C13 | 1.2° | 0.0° |
| C33 | C34 | C35 | C36 | 0.0° | 0.1° |
| C33 | C34 | C35 | H351 | 180.0° | 180.0° |
| C14 | C33 | C34 | C35 | 0.4° | 0.0° |
| C33 | C14 | N15 | C13 | 179.8° | 180.0° |
| C33 | C14 | C13 | C36 | 1.5° | 0.0° |
| C33 | C14 | C13 | C02 | 179.1° | 179.7° |
| C14 | C33 | C34 | H341 | 179.6° | 180.0° |
| C33 | C14 | N15 | H151 | 179.6° | 179.9° |
| C34 | C35 | C36 | H351 | 180.0° | 180.0° |
| C34 | C35 | C36 | C13 | 0.3° | 0.0° |
| C34 | C35 | C36 | H361 | 179.7° | 179.7° |
| N15 | C14 | C13 | C36 | 178.7° | 180.0° |
| N15 | C14 | C13 | C02 | 1.1° | 0.3° |
| C14 | C13 | C36 | C35 | 1.0° | 0.0° |
| C14 | C13 | C36 | C02 | 177.5° | 179.7° |
| C14 | C13 | C02 | O03 | 147.8° | 155.3° |
| C14 | C13 | C02 | C01 | 91.3° | 84.7° |
| C14 | C13 | C02 | H021 | 23.7° | 35.3° |
| C14 | C13 | C36 | H361 | 179.0° | 179.7° |
| C13 | C14 | N15 | H151 | 0.7° | 0.0° |
| C35 | C36 | C13 | H361 | 180.0° | 179.7° |
| C35 | C36 | C13 | C02 | 178.5° | 179.7° |
| C36 | C35 | C34 | H341 | 180.0° | 180.0° |
| C36 | C13 | C02 | O03 | 34.8° | 25.0° |
| C36 | C13 | C02 | C01 | 86.2° | 95.0° |
| C36 | C13 | C02 | H021 | 158.8° | 145.0° |
| C13 | C36 | C35 | H351 | 179.7° | 180.0° |
| C13 | C02 | O03 | C01 | 119.6° | 120.0° |
| C13 | C02 | O03 | H021 | 123.0° | 120.0° |
| C13 | C02 | C01 | H021 | 114.9° | 120.0° |
| C13 | C02 | O03 | C04 | 93.1° | 155.2° |
| C13 | C02 | C01 | H011 | 180.0° | 180.0° |
| C13 | C02 | C01 | H013 | 60.0° | 60.0° |
| C13 | C02 | C01 | H012 | 60.0° | 60.0° |
| C02 | C13 | C36 | H361 | 1.5° | 0.0° |
| C05 | C06 | C07 | H061 | 180.0° | 180.0° |
| C06 | C05 | C04 | H051 | 180.0° | 180.0° |
| C05 | C06 | C07 | C08 | 179.2° | 180.0° |
| C05 | C06 | C07 | C11 | 0.1° | 0.0° |
| C06 | C05 | C04 | O03 | 178.6° | 180.0° |
| C06 | C05 | C04 | C12 | 1.3° | 0.2° |
| C07 | C06 | C05 | C04 | 0.7° | 0.0° |
| C06 | C07 | C08 | C11 | 179.4° | 179.9° |
| C06 | C07 | C08 | C09 | 121.6° | 90.0° |
| C06 | C07 | C11 | C12 | 0.1° | 0.3° |
| C07 | C06 | C05 | H051 | 179.3° | 180.0° |
| C06 | C07 | C08 | H082 | 1.2° | 149.9° |
| C06 | C07 | C08 | H081 | 118.0° | 29.9° |
| C06 | C07 | C11 | H111 | 179.9° | 179.9° |
| C05 | C04 | O03 | C02 | 15.2° | 5.2° |
| C05 | C04 | O03 | C12 | 177.4° | 179.7° |
| C05 | C04 | C12 | C11 | 1.3° | 0.4° |
| C04 | C05 | C06 | H061 | 179.3° | 180.0° |
| C05 | C04 | C12 | H121 | 178.7° | 179.7° |
| O03 | C02 | C01 | H021 | 118.7° | 120.0° |
| C02 | O03 | C04 | C12 | 167.4° | 174.6° |
| O03 | C02 | C01 | H011 | 53.6° | 60.0° |
| O03 | C02 | C01 | H013 | 66.4° | 60.0° |
| O03 | C02 | C01 | H012 | 173.6° | 180.0° |
| C01 | C02 | O03 | C04 | 147.4° | 84.8° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H012 | 120.0° | 119.9° |
| C07 | C08 | C09 | H082 | 120.4° | 120.0° |
| C07 | C08 | C09 | H081 | 120.4° | 120.0° |
| C08 | C07 | C11 | C12 | 179.2° | 179.8° |
| C07 | C08 | C09 | N10 | 45.4° | 180.0° |
| C08 | C07 | C06 | H061 | 0.8° | 0.0° |
| C07 | C08 | H082 | H081 | 118.7° | 120.0° |
| C07 | C08 | C09 | H092 | 166.1° | 60.0° |
| C07 | C08 | C09 | H091 | 75.3° | 60.0° |
| C08 | C07 | C11 | H111 | 0.8° | 0.0° |
| C09 | C08 | C07 | C11 | 57.7° | 90.0° |
| C08 | C09 | N10 | H092 | 120.7° | 120.0° |
| C08 | C09 | N10 | H091 | 120.8° | 120.0° |
| C09 | C08 | H082 | H081 | 118.7° | 120.0° |
| C08 | C09 | H092 | H091 | 117.7° | 120.1° |
| C08 | C09 | N10 | H102 | 180.0° | 56.1° |
| C08 | C09 | N10 | H101 | 60.0° | 180.0° |
| C07 | C11 | C12 | C04 | 0.7° | 0.5° |
| C07 | C11 | C12 | H111 | 180.0° | 179.8° |
| C11 | C07 | C06 | H061 | 179.9° | 180.0° |
| C11 | C07 | C08 | H082 | 178.1° | 30.0° |
| C11 | C07 | C08 | H081 | 62.7° | 150.0° |
| C07 | C11 | C12 | H121 | 179.2° | 179.7° |
| O03 | C04 | C12 | C11 | 178.9° | 179.8° |
| C04 | O03 | C02 | H021 | 29.9° | 35.2° |
| O03 | C04 | C05 | H051 | 1.4° | 0.0° |
| O03 | C04 | C12 | H121 | 1.1° | 0.0° |
| C04 | C12 | C11 | H121 | 180.0° | 179.8° |
| C12 | C04 | C05 | H051 | 178.7° | 179.8° |
| C04 | C12 | C11 | H111 | 179.3° | 179.7° |
| N10 | C09 | C08 | H082 | 75.0° | 60.0° |
| N10 | C09 | C08 | H081 | 165.8° | 60.0° |
| N10 | C09 | H092 | H091 | 117.8° | 119.9° |
| C09 | N10 | H102 | H101 | 120.0° | 123.9° |
| H011 | C01 | H013 | H012 | 120.0° | 120.0° |
| H011 | C01 | C02 | H021 | 65.1° | 60.0° |
| H013 | C01 | C02 | H021 | 174.9° | 180.0° |
| H012 | C01 | C02 | H021 | 54.9° | 60.1° |
| H051 | C05 | C06 | H061 | 0.7° | 0.0° |
| H082 | C08 | C09 | H092 | 45.7° | 180.0° |
| H082 | C08 | C09 | H091 | 164.2° | 60.0° |
| H081 | C08 | C09 | H092 | 73.5° | 59.9° |
| H081 | C08 | C09 | H091 | 45.1° | 180.0° |
| H092 | C09 | N10 | H102 | 59.3° | 63.9° |
| H092 | C09 | N10 | H101 | 179.3° | 60.0° |
| H091 | C09 | N10 | H102 | 59.2° | 176.1° |
| H091 | C09 | N10 | H101 | 60.7° | 60.0° |
| H111 | C11 | C12 | H121 | 0.8° | 0.1° |
| H221 | C22 | C23 | H231 | 1.0° | 0.1° |
| H271 | C27 | H273 | H272 | 120.0° | 120.0° |
| H341 | C34 | C35 | H351 | 0.0° | 0.0° |
| H351 | C35 | C36 | H361 | 0.3° | 0.3° |
