XLZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O17 | S14 | doub | 1.42Å | 1.46Å | |
| S14 | O16 | doub | 1.42Å | 1.46Å | |
| S14 | C15 | sing | 1.81Å | 1.80Å | |
| S14 | C13 | sing | 1.81Å | 1.83Å | |
| C13 | C12 | sing | 1.51Å | 1.54Å | |
| CL19 | C18 | sing | 1.74Å | 1.77Å | |
| C12 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C18 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C09 | doub | 1.40Å | 1.38Å | Aromatic |
| C10 | C09 | sing | 1.40Å | 1.39Å | Aromatic |
| C09 | C08 | sing | 1.48Å | 1.41Å | |
| O23 | C22 | doub | 1.22Å | 1.27Å | |
| C22 | C21 | sing | 1.47Å | 1.52Å | |
| C22 | O24 | sing | 1.35Å | 1.27Å | |
| C08 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C08 | C07 | sing | 1.47Å | 1.41Å | Aromatic |
| C21 | N25 | sing | 1.38Å | 1.32Å | Aromatic |
| C07 | C06 | doub | 1.40Å | 1.40Å | Aromatic |
| C07 | C26 | sing | 1.41Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.37Å | 1.39Å | Aromatic |
| N25 | C26 | sing | 1.37Å | 1.34Å | Aromatic |
| C26 | C03 | doub | 1.39Å | 1.41Å | Aromatic |
| C05 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| C03 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.51Å | 1.55Å | |
| N35 | N34 | doub | 1.29Å | 1.36Å | Aromatic |
| N35 | N27 | sing | 1.29Å | 1.36Å | Aromatic |
| N34 | C29 | sing | 1.34Å | 1.32Å | Aromatic |
| N27 | C02 | sing | 1.46Å | 1.46Å | |
| N27 | C28 | sing | 1.35Å | 1.33Å | Aromatic |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.51Å | 1.53Å | |
| C29 | C28 | doub | 1.35Å | 1.40Å | Aromatic |
| C30 | C31 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C32 | N33 | sing | 1.47Å | 1.45Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| N25 | H251 | sing | 0.97Å | 1.00Å | |
| N33 | H331 | sing | 1.01Å | 1.00Å | |
| N33 | H332 | sing | 1.01Å | 1.00Å | |
| O24 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O17 | S14 | O16 | 104.6° | 119.2° |
| O17 | S14 | C15 | 111.0° | 108.6° |
| O17 | S14 | C13 | 113.0° | 108.6° |
| O16 | S14 | C15 | 109.4° | 108.6° |
| O16 | S14 | C13 | 110.8° | 108.6° |
| C15 | S14 | C13 | 108.0° | 101.9° |
| S14 | C15 | H151 | 109.5° | 109.5° |
| S14 | C15 | H153 | 109.5° | 109.5° |
| S14 | C15 | H152 | 109.5° | 109.5° |
| S14 | C13 | C12 | 112.1° | 109.5° |
| S14 | C13 | H132 | 108.8° | 109.5° |
| S14 | C13 | H131 | 108.8° | 109.5° |
| C13 | C12 | C18 | 121.9° | 119.9° |
| C13 | C12 | C11 | 120.1° | 119.8° |
| C12 | C13 | H132 | 108.8° | 109.5° |
| C12 | C13 | H131 | 108.8° | 109.5° |
| CL19 | C18 | C12 | 118.5° | 119.9° |
| CL19 | C18 | C20 | 119.5° | 119.9° |
| C18 | C12 | C11 | 118.0° | 120.3° |
| C12 | C18 | C20 | 122.0° | 120.1° |
| C12 | C11 | C10 | 120.1° | 120.1° |
| C12 | C11 | H111 | 119.9° | 120.0° |
| C18 | C20 | C09 | 120.1° | 119.8° |
| C18 | C20 | H201 | 120.0° | 120.1° |
| C11 | C10 | C09 | 122.0° | 119.9° |
| C11 | C10 | H101 | 119.0° | 120.0° |
| C10 | C11 | H111 | 120.0° | 119.9° |
| C20 | C09 | C10 | 117.8° | 119.7° |
| C20 | C09 | C08 | 122.1° | 120.1° |
| C09 | C20 | H201 | 119.9° | 120.1° |
| C10 | C09 | C08 | 120.1° | 120.2° |
| C09 | C10 | H101 | 119.0° | 120.1° |
| C09 | C08 | C21 | 127.6° | 126.8° |
| C09 | C08 | C07 | 128.0° | 126.8° |
| O23 | C22 | C21 | 116.4° | 120.0° |
| O23 | C22 | O24 | 123.5° | 120.0° |
| C21 | C22 | O24 | 119.9° | 120.0° |
| C22 | C21 | C08 | 127.8° | 125.5° |
| C22 | C21 | N25 | 122.3° | 125.5° |
| C22 | O24 | H2 | 109.5° | 114.0° |
| C21 | C08 | C07 | 104.4° | 106.4° |
| C08 | C21 | N25 | 109.8° | 109.0° |
| C08 | C07 | C06 | 133.5° | 133.6° |
| C08 | C07 | C26 | 107.7° | 106.4° |
| C21 | N25 | C26 | 110.1° | 110.1° |
| C21 | N25 | H251 | 124.9° | 124.9° |
| C06 | C07 | C26 | 118.7° | 120.0° |
| C07 | C06 | C05 | 119.6° | 119.8° |
| C07 | C06 | H061 | 120.2° | 120.1° |
| C07 | C26 | N25 | 107.9° | 108.0° |
| C07 | C26 | C03 | 122.3° | 119.2° |
| C06 | C05 | C04 | 121.2° | 120.5° |
| C06 | C05 | H051 | 119.4° | 119.8° |
| C05 | C06 | H061 | 120.2° | 120.1° |
| N25 | C26 | C03 | 129.8° | 132.8° |
| C26 | N25 | H251 | 124.9° | 125.0° |
| C26 | C03 | C04 | 118.3° | 119.8° |
| C26 | C03 | C02 | 119.1° | 120.1° |
| C05 | C04 | C03 | 119.9° | 120.7° |
| C05 | C04 | H041 | 120.1° | 119.6° |
| C04 | C05 | H051 | 119.4° | 119.8° |
| C04 | C03 | C02 | 122.6° | 120.1° |
| C03 | C04 | H041 | 120.1° | 119.7° |
| C03 | C02 | N27 | 108.5° | 109.5° |
| C03 | C02 | C01 | 113.2° | 109.5° |
| C03 | C02 | H021 | 106.6° | 109.5° |
| N34 | N35 | N27 | 107.9° | 110.2° |
| N35 | N34 | C29 | 108.2° | 108.9° |
| N35 | N27 | C02 | 121.2° | 125.9° |
| N35 | N27 | C28 | 108.6° | 108.2° |
| N34 | C29 | C30 | 122.3° | 126.8° |
| N34 | C29 | C28 | 108.4° | 106.5° |
| C02 | N27 | C28 | 130.2° | 125.9° |
| N27 | C02 | C01 | 113.8° | 109.5° |
| N27 | C02 | H021 | 107.6° | 109.5° |
| N27 | C28 | C29 | 107.0° | 106.2° |
| N27 | C28 | H281 | 126.5° | 127.0° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.5° |
| C01 | C02 | H021 | 106.8° | 109.4° |
| C30 | C29 | C28 | 129.3° | 126.7° |
| C29 | C30 | C31 | 115.2° | 109.4° |
| C29 | C30 | H302 | 108.0° | 109.5° |
| C29 | C30 | H301 | 108.0° | 109.5° |
| C29 | C28 | H281 | 126.5° | 126.9° |
| C30 | C31 | C32 | 111.6° | 109.4° |
| C31 | C30 | H302 | 108.0° | 109.5° |
| C31 | C30 | H301 | 108.0° | 109.5° |
| C30 | C31 | H311 | 109.0° | 109.5° |
| C30 | C31 | H312 | 108.9° | 109.5° |
| C31 | C32 | N33 | 111.4° | 109.5° |
| C32 | C31 | H311 | 109.0° | 109.4° |
| C32 | C31 | H312 | 109.0° | 109.5° |
| C31 | C32 | H322 | 109.0° | 109.5° |
| C31 | C32 | H321 | 109.0° | 109.5° |
| N33 | C32 | H322 | 109.0° | 109.5° |
| N33 | C32 | H321 | 109.0° | 109.4° |
| C32 | N33 | H331 | 109.5° | 111.0° |
| C32 | N33 | H332 | 109.5° | 111.0° |
| H151 | C15 | H153 | 109.5° | 109.4° |
| H151 | C15 | H152 | 109.4° | 109.4° |
| H153 | C15 | H152 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.4° | 109.4° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.4° | 109.4° |
| H302 | C30 | H301 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H322 | C32 | H321 | 109.4° | 109.4° |
| H331 | N33 | H332 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O17 | S14 | O16 | C15 | 119.0° | 124.9° |
| O17 | S14 | O16 | C13 | 122.1° | 125.0° |
| O17 | S14 | C15 | C13 | 124.4° | 114.5° |
| O17 | S14 | C13 | C12 | 175.9° | 65.5° |
| O17 | S14 | C15 | H151 | 180.0° | 65.5° |
| O17 | S14 | C15 | H153 | 60.0° | 174.5° |
| O17 | S14 | C15 | H152 | 60.0° | 54.5° |
| O17 | S14 | C13 | H132 | 55.5° | 174.5° |
| O17 | S14 | C13 | H131 | 63.6° | 54.5° |
| O16 | S14 | C15 | C13 | 120.6° | 114.5° |
| O16 | S14 | C13 | C12 | 58.9° | 65.5° |
| O16 | S14 | C15 | H151 | 65.0° | 65.5° |
| O16 | S14 | C15 | H153 | 175.0° | 54.5° |
| O16 | S14 | C15 | H152 | 54.9° | 174.5° |
| O16 | S14 | C13 | H132 | 61.5° | 54.5° |
| O16 | S14 | C13 | H131 | 179.3° | 174.5° |
| C15 | S14 | C13 | C12 | 60.9° | 180.0° |
| S14 | C15 | H151 | H153 | 120.0° | 120.0° |
| S14 | C15 | H151 | H152 | 120.0° | 120.0° |
| S14 | C15 | H153 | H152 | 120.0° | 120.0° |
| C15 | S14 | C13 | H132 | 178.7° | 59.9° |
| C15 | S14 | C13 | H131 | 59.5° | 60.0° |
| S14 | C13 | C12 | H132 | 120.4° | 120.1° |
| S14 | C13 | C12 | H131 | 120.4° | 120.0° |
| S14 | C13 | C12 | C18 | 90.8° | 90.0° |
| S14 | C13 | C12 | C11 | 88.9° | 90.0° |
| C13 | S14 | C15 | H151 | 55.6° | 180.0° |
| C13 | S14 | C15 | H153 | 64.4° | 60.0° |
| C13 | S14 | C15 | H152 | 175.6° | 60.0° |
| S14 | C13 | H132 | H131 | 118.8° | 120.0° |
| C13 | C12 | C18 | CL19 | 0.4° | 0.0° |
| C13 | C12 | C18 | C11 | 179.7° | 180.0° |
| C13 | C12 | C18 | C20 | 179.5° | 180.0° |
| C13 | C12 | C11 | C10 | 179.7° | 180.0° |
| C13 | C12 | C11 | H111 | 0.3° | 0.0° |
| C12 | C13 | H132 | H131 | 118.8° | 120.0° |
| CL19 | C18 | C12 | C20 | 179.9° | 180.0° |
| CL19 | C18 | C12 | C11 | 180.0° | 180.0° |
| CL19 | C18 | C20 | C09 | 179.8° | 180.0° |
| CL19 | C18 | C20 | H201 | 0.2° | 0.1° |
| C18 | C12 | C11 | C10 | 0.6° | 0.0° |
| C12 | C18 | C20 | C09 | 0.1° | 0.0° |
| C18 | C12 | C11 | H111 | 179.4° | 180.0° |
| C18 | C12 | C13 | H132 | 29.6° | 150.0° |
| C18 | C12 | C13 | H131 | 148.8° | 30.0° |
| C12 | C18 | C20 | H201 | 179.9° | 179.9° |
| C11 | C12 | C18 | C20 | 0.2° | 0.0° |
| C12 | C11 | C10 | H111 | 180.0° | 180.0° |
| C12 | C11 | C10 | C09 | 1.7° | 0.1° |
| C12 | C11 | C10 | H101 | 178.3° | 179.7° |
| C11 | C12 | C13 | H132 | 150.7° | 30.1° |
| C11 | C12 | C13 | H131 | 31.6° | 150.0° |
| C18 | C20 | C09 | H201 | 180.0° | 180.0° |
| C18 | C20 | C09 | C10 | 1.1° | 0.0° |
| C18 | C20 | C09 | C08 | 179.1° | 179.8° |
| C11 | C10 | C09 | C20 | 1.9° | 0.0° |
| C11 | C10 | C09 | H101 | 180.0° | 179.8° |
| C11 | C10 | C09 | C08 | 179.9° | 179.8° |
| C20 | C09 | C10 | C08 | 178.0° | 179.8° |
| C20 | C09 | C08 | C21 | 133.2° | 115.2° |
| C20 | C09 | C08 | C07 | 46.0° | 64.9° |
| C20 | C09 | C10 | H101 | 178.1° | 179.8° |
| C10 | C09 | C08 | C21 | 48.8° | 65.0° |
| C10 | C09 | C08 | C07 | 132.0° | 115.0° |
| C09 | C10 | C11 | H111 | 178.3° | 180.0° |
| C10 | C09 | C20 | H201 | 178.9° | 179.9° |
| C09 | C08 | C21 | C22 | 1.1° | 0.1° |
| C09 | C08 | C21 | C07 | 179.4° | 179.9° |
| C09 | C08 | C21 | N25 | 179.0° | 180.0° |
| C09 | C08 | C07 | C06 | 0.5° | 0.0° |
| C09 | C08 | C07 | C26 | 179.7° | 179.8° |
| C08 | C09 | C10 | H101 | 0.1° | 0.0° |
| C08 | C09 | C20 | H201 | 0.9° | 0.3° |
| O23 | C22 | C21 | O24 | 174.9° | 179.9° |
| O23 | C22 | C21 | C08 | 41.3° | 0.1° |
| O23 | C22 | C21 | N25 | 141.0° | 180.0° |
| O23 | C22 | O24 | H2 | 0.0° | 0.1° |
| C22 | C21 | C08 | N25 | 178.0° | 180.0° |
| C22 | C21 | C08 | C07 | 179.6° | 180.0° |
| C22 | C21 | N25 | C26 | 179.8° | 179.7° |
| C22 | C21 | N25 | H251 | 0.1° | 0.0° |
| C21 | C22 | O24 | H2 | 174.5° | 180.0° |
| O24 | C22 | C21 | C08 | 143.9° | 180.0° |
| O24 | C22 | C21 | N25 | 33.9° | 0.0° |
| C21 | C08 | C07 | C06 | 178.8° | 179.9° |
| C21 | C08 | C07 | C26 | 0.9° | 0.3° |
| C08 | C21 | N25 | C26 | 1.7° | 0.2° |
| C08 | C21 | N25 | H251 | 178.2° | 180.0° |
| C07 | C08 | C21 | N25 | 1.6° | 0.0° |
| C08 | C07 | C06 | C26 | 179.7° | 179.8° |
| C08 | C07 | C06 | C05 | 179.4° | 179.9° |
| C08 | C07 | C26 | N25 | 0.1° | 0.4° |
| C08 | C07 | C26 | C03 | 179.8° | 179.7° |
| C08 | C07 | C06 | H061 | 0.6° | 0.0° |
| C21 | N25 | C26 | C07 | 1.1° | 0.4° |
| C21 | N25 | C26 | H251 | 180.0° | 179.7° |
| C21 | N25 | C26 | C03 | 178.7° | 179.6° |
| C07 | C06 | C05 | H061 | 180.0° | 179.9° |
| C06 | C07 | C26 | N25 | 179.9° | 179.8° |
| C06 | C07 | C26 | C03 | 0.0° | 0.5° |
| C07 | C06 | C05 | C04 | 0.3° | 0.1° |
| C07 | C06 | C05 | H051 | 179.7° | 180.0° |
| C26 | C07 | C06 | C05 | 0.4° | 0.2° |
| C07 | C26 | N25 | C03 | 179.9° | 179.2° |
| C07 | C26 | C03 | C04 | 0.4° | 0.5° |
| C07 | C26 | C03 | C02 | 179.2° | 179.8° |
| C26 | C07 | C06 | H061 | 179.7° | 179.8° |
| C07 | C26 | N25 | H251 | 178.9° | 179.9° |
| C06 | C05 | C04 | H051 | 180.0° | 179.9° |
| C06 | C05 | C04 | C03 | 0.1° | 0.0° |
| C06 | C05 | C04 | H041 | 180.0° | 179.9° |
| N25 | C26 | C03 | C04 | 179.4° | 179.6° |
| N25 | C26 | C03 | C02 | 1.0° | 0.7° |
| C26 | C03 | C04 | C05 | 0.4° | 0.3° |
| C26 | C03 | C04 | C02 | 179.6° | 179.7° |
| C26 | C03 | C02 | N27 | 88.5° | 119.7° |
| C26 | C03 | C02 | C01 | 144.2° | 120.3° |
| C26 | C03 | C02 | H021 | 27.1° | 0.3° |
| C26 | C03 | C04 | H041 | 179.6° | 179.8° |
| C03 | C26 | N25 | H251 | 1.3° | 0.7° |
| C05 | C04 | C03 | H041 | 180.0° | 179.9° |
| C05 | C04 | C03 | C02 | 179.2° | 180.0° |
| C04 | C05 | C06 | H061 | 179.7° | 180.0° |
| C04 | C03 | C02 | N27 | 91.9° | 60.0° |
| C04 | C03 | C02 | C01 | 35.4° | 60.0° |
| C04 | C03 | C02 | H021 | 152.5° | 180.0° |
| C03 | C04 | C05 | H051 | 179.9° | 179.9° |
| C03 | C02 | N27 | N35 | 78.1° | 95.0° |
| C03 | C02 | N27 | C01 | 126.9° | 120.0° |
| C03 | C02 | N27 | H021 | 114.9° | 120.0° |
| C03 | C02 | N27 | C28 | 101.9° | 85.0° |
| C03 | C02 | C01 | H021 | 117.0° | 120.0° |
| C03 | C02 | C01 | H011 | 180.0° | 60.0° |
| C03 | C02 | C01 | H012 | 60.0° | 180.0° |
| C03 | C02 | C01 | H013 | 60.0° | 60.0° |
| C02 | C03 | C04 | H041 | 0.8° | 0.1° |
| N34 | N35 | N27 | C02 | 179.7° | 179.8° |
| N34 | N35 | N27 | C28 | 0.2° | 0.2° |
| N35 | N34 | C29 | C30 | 179.9° | 179.9° |
| N35 | N34 | C29 | C28 | 0.0° | 0.2° |
| N27 | N35 | N34 | C29 | 0.1° | 0.0° |
| N35 | N27 | C02 | C28 | 179.9° | 180.0° |
| N35 | N27 | C02 | C01 | 154.9° | 145.0° |
| N35 | N27 | C28 | C29 | 0.2° | 0.3° |
| N35 | N27 | C02 | H021 | 36.8° | 25.0° |
| N35 | N27 | C28 | H281 | 179.8° | 179.9° |
| N34 | C29 | C28 | N27 | 0.1° | 0.3° |
| N34 | C29 | C30 | C28 | 179.8° | 179.9° |
| N34 | C29 | C30 | C31 | 171.9° | 55.0° |
| N34 | C29 | C28 | H281 | 179.9° | 179.9° |
| N34 | C29 | C30 | H302 | 51.1° | 65.0° |
| N34 | C29 | C30 | H301 | 67.3° | 175.0° |
| N27 | C02 | C01 | H021 | 118.6° | 120.0° |
| C02 | N27 | C28 | C29 | 179.7° | 179.7° |
| N27 | C02 | C01 | H011 | 55.6° | 180.0° |
| N27 | C02 | C01 | H012 | 64.5° | 60.0° |
| N27 | C02 | C01 | H013 | 175.6° | 60.0° |
| C02 | N27 | C28 | H281 | 0.3° | 0.0° |
| C28 | N27 | C02 | C01 | 25.0° | 35.0° |
| N27 | C28 | C29 | C30 | 179.7° | 179.8° |
| N27 | C28 | C29 | H281 | 180.0° | 179.7° |
| C28 | N27 | C02 | H021 | 143.2° | 155.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H013 | 120.0° | 120.0° |
| C02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C29 | C30 | C31 | H302 | 120.9° | 120.0° |
| C29 | C30 | C31 | H301 | 120.9° | 120.0° |
| C29 | C30 | C31 | C32 | 172.7° | 180.0° |
| C30 | C29 | C28 | H281 | 0.3° | 0.1° |
| C29 | C30 | H302 | H301 | 117.4° | 120.0° |
| C29 | C30 | C31 | H311 | 52.3° | 60.0° |
| C29 | C30 | C31 | H312 | 67.0° | 60.0° |
| C28 | C29 | C30 | C31 | 7.9° | 125.1° |
| C28 | C29 | C30 | H302 | 128.8° | 115.0° |
| C28 | C29 | C30 | H301 | 112.9° | 5.1° |
| C30 | C31 | C32 | H311 | 120.3° | 120.0° |
| C30 | C31 | C32 | H312 | 120.3° | 120.0° |
| C30 | C31 | C32 | N33 | 169.1° | 180.0° |
| C31 | C30 | H302 | H301 | 117.4° | 120.0° |
| C30 | C31 | H311 | H312 | 119.0° | 120.0° |
| C30 | C31 | C32 | H322 | 70.6° | 60.0° |
| C30 | C31 | C32 | H321 | 48.8° | 60.0° |
| C31 | C32 | N33 | H322 | 120.3° | 120.0° |
| C31 | C32 | N33 | H321 | 120.3° | 120.0° |
| C32 | C31 | C30 | H302 | 66.5° | 60.0° |
| C32 | C31 | C30 | H301 | 51.8° | 60.0° |
| C32 | C31 | H311 | H312 | 119.1° | 120.0° |
| C31 | C32 | H322 | H321 | 119.1° | 120.0° |
| C31 | C32 | N33 | H331 | 180.0° | 180.0° |
| C31 | C32 | N33 | H332 | 60.0° | 56.0° |
| N33 | C32 | C31 | H311 | 48.7° | 60.0° |
| N33 | C32 | C31 | H312 | 70.6° | 60.0° |
| N33 | C32 | H322 | H321 | 119.1° | 120.0° |
| C32 | N33 | H331 | H332 | 120.0° | 124.0° |
| H101 | C10 | C11 | H111 | 1.7° | 0.2° |
| H151 | C15 | H153 | H152 | 120.0° | 119.9° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H011 | C01 | C02 | H021 | 63.0° | 60.0° |
| H012 | C01 | C02 | H021 | 176.9° | 60.0° |
| H013 | C01 | C02 | H021 | 57.0° | 180.0° |
| H041 | C04 | C05 | H051 | 0.1° | 0.0° |
| H051 | C05 | C06 | H061 | 0.3° | 0.1° |
| H302 | C30 | C31 | H311 | 173.2° | 180.0° |
| H302 | C30 | C31 | H312 | 53.8° | 60.0° |
| H301 | C30 | C31 | H311 | 68.5° | 60.0° |
| H301 | C30 | C31 | H312 | 172.1° | NaN° |
| H311 | C31 | C32 | H322 | 169.0° | 179.9° |
| H311 | C31 | C32 | H321 | 71.6° | 60.0° |
| H312 | C31 | C32 | H322 | 49.7° | 60.0° |
| H312 | C31 | C32 | H321 | 169.1° | 180.0° |
| H322 | C32 | N33 | H331 | 59.7° | 60.0° |
| H322 | C32 | N33 | H332 | 179.7° | 176.0° |
| H321 | C32 | N33 | H331 | 59.7° | 60.0° |
| H321 | C32 | N33 | H332 | 60.3° | 64.0° |
