5W0
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C09 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| N12 | C13 | sing | 1.39Å | 1.35Å | |
| N12 | C11 | sing | 1.40Å | 1.36Å | |
| C13 | N14 | doub | 1.32Å | 1.35Å | Aromatic |
| C13 | N34 | sing | 1.32Å | 1.36Å | Aromatic |
| C15 | N14 | sing | 1.32Å | 1.35Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.48Å | |
| C20 | C21 | doub | 1.39Å | 1.40Å | Aromatic |
| C20 | N19 | sing | 1.40Å | 1.37Å | |
| C20 | C33 | sing | 1.39Å | 1.41Å | Aromatic |
| C21 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C24 | N25 | sing | 1.40Å | 1.37Å | |
| C24 | C33 | doub | 1.39Å | 1.40Å | Aromatic |
| C01 | N02 | sing | 1.47Å | 1.49Å | |
| N02 | C03 | sing | 1.47Å | 1.49Å | |
| N02 | C07 | sing | 1.47Å | 1.48Å | |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| C04 | N05 | sing | 1.47Å | 1.45Å | |
| N05 | C06 | sing | 1.47Å | 1.44Å | |
| N05 | C08 | sing | 1.40Å | 1.38Å | |
| C06 | C07 | sing | 1.53Å | 1.54Å | |
| C08 | C09 | sing | 1.39Å | 1.41Å | Aromatic |
| C08 | C36 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C35 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | C18 | sing | 1.40Å | 1.42Å | Aromatic |
| C18 | N19 | sing | 1.39Å | 1.36Å | |
| C18 | N34 | doub | 1.33Å | 1.35Å | Aromatic |
| N25 | S26 | sing | 1.66Å | 1.68Å | |
| S26 | O27 | doub | 1.42Å | 1.54Å | |
| S26 | O28 | doub | 1.42Å | 1.55Å | |
| S26 | C29 | sing | 1.81Å | 1.82Å | |
| C29 | C30 | sing | 1.53Å | 1.55Å | |
| C29 | C31 | sing | 1.53Å | 1.55Å | |
| C29 | C32 | sing | 1.53Å | 1.55Å | |
| C35 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C36 | F37 | sing | 1.35Å | 1.30Å | |
| C10 | H101 | sing | 1.08Å | 1.08Å | |
| N12 | H121 | sing | 0.97Å | 1.00Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H173 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | 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 | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| N25 | H251 | sing | 0.97Å | 1.00Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C10 | C11 | 120.7° | 120.1° |
| C10 | C09 | C08 | 121.5° | 120.0° |
| C09 | C10 | H101 | 119.7° | 120.0° |
| C10 | C09 | H091 | 119.3° | 120.1° |
| C10 | C11 | N12 | 115.8° | 120.0° |
| C10 | C11 | C35 | 118.2° | 120.0° |
| C11 | C10 | H101 | 119.6° | 120.0° |
| C13 | N12 | C11 | 131.7° | 120.0° |
| N12 | C13 | N14 | 119.6° | 119.2° |
| N12 | C13 | N34 | 120.5° | 119.2° |
| C13 | N12 | H121 | 114.2° | 120.0° |
| N12 | C11 | C35 | 126.0° | 120.0° |
| C11 | N12 | H121 | 114.2° | 120.0° |
| N14 | C13 | N34 | 119.8° | 121.7° |
| C13 | N14 | C15 | 122.1° | 120.9° |
| C13 | N34 | C18 | 121.2° | 120.6° |
| N14 | C15 | C16 | 119.5° | 119.3° |
| N14 | C15 | H151 | 120.3° | 120.4° |
| C15 | C16 | C17 | 119.9° | 120.8° |
| C15 | C16 | C18 | 117.8° | 118.5° |
| C16 | C15 | H151 | 120.3° | 120.3° |
| C17 | C16 | C18 | 122.2° | 120.8° |
| C16 | C17 | H171 | 109.5° | 109.4° |
| C16 | C17 | H172 | 109.5° | 109.5° |
| C16 | C17 | H173 | 109.5° | 109.5° |
| C21 | C20 | N19 | 120.8° | 120.1° |
| C21 | C20 | C33 | 118.0° | 119.9° |
| C20 | C21 | C22 | 119.9° | 120.1° |
| C20 | C21 | H211 | 120.0° | 119.9° |
| N19 | C20 | C33 | 121.2° | 120.0° |
| C20 | N19 | C18 | 126.9° | 120.0° |
| C20 | N19 | H191 | 116.5° | 120.0° |
| C20 | C33 | C24 | 122.6° | 119.9° |
| C20 | C33 | H331 | 118.7° | 120.0° |
| C21 | C22 | C23 | 121.2° | 120.1° |
| C22 | C21 | H211 | 120.1° | 120.0° |
| C21 | C22 | H221 | 119.4° | 119.9° |
| C22 | C23 | C24 | 120.0° | 120.1° |
| C23 | C22 | H221 | 119.4° | 119.9° |
| C22 | C23 | H231 | 120.0° | 120.0° |
| C23 | C24 | N25 | 117.0° | 120.0° |
| C23 | C24 | C33 | 118.3° | 119.9° |
| C24 | C23 | H231 | 120.0° | 119.9° |
| N25 | C24 | C33 | 124.7° | 120.1° |
| C24 | N25 | S26 | 128.3° | 120.0° |
| C24 | N25 | H251 | 104.6° | 120.0° |
| C24 | C33 | H331 | 118.7° | 120.1° |
| C01 | N02 | C03 | 114.2° | 111.0° |
| C01 | N02 | C07 | 111.9° | 110.9° |
| N02 | C01 | H011 | 109.5° | 109.5° |
| N02 | C01 | H012 | 109.5° | 109.5° |
| N02 | C01 | H013 | 109.4° | 109.5° |
| C03 | N02 | C07 | 110.8° | 110.9° |
| N02 | C03 | C04 | 111.3° | 109.3° |
| N02 | C03 | H031 | 109.0° | 109.5° |
| N02 | C03 | H032 | 109.0° | 109.5° |
| N02 | C07 | C06 | 113.3° | 109.3° |
| N02 | C07 | H071 | 108.5° | 109.5° |
| N02 | C07 | H072 | 108.5° | 109.5° |
| C03 | C04 | N05 | 114.1° | 109.4° |
| C04 | C03 | H031 | 109.0° | 109.5° |
| C04 | C03 | H032 | 109.0° | 109.5° |
| C03 | C04 | H041 | 108.3° | 109.5° |
| C03 | C04 | H042 | 108.3° | 109.5° |
| C04 | N05 | C06 | 112.6° | 110.9° |
| C04 | N05 | C08 | 112.7° | 111.0° |
| N05 | C04 | H041 | 108.3° | 109.5° |
| N05 | C04 | H042 | 108.3° | 109.5° |
| C06 | N05 | C08 | 117.2° | 111.0° |
| N05 | C06 | C07 | 110.8° | 109.4° |
| N05 | C06 | H061 | 109.1° | 109.5° |
| N05 | C06 | H062 | 109.1° | 109.5° |
| N05 | C08 | C09 | 123.1° | 120.0° |
| N05 | C08 | C36 | 119.6° | 120.0° |
| C07 | C06 | H061 | 109.1° | 109.5° |
| C07 | C06 | H062 | 109.1° | 109.5° |
| C06 | C07 | H071 | 108.5° | 109.5° |
| C06 | C07 | H072 | 108.5° | 109.5° |
| C09 | C08 | C36 | 117.3° | 120.0° |
| C08 | C09 | H091 | 119.2° | 120.0° |
| C08 | C36 | C35 | 121.6° | 120.0° |
| C08 | C36 | F37 | 120.6° | 120.0° |
| C11 | C35 | C36 | 120.8° | 120.0° |
| C11 | C35 | H351 | 119.6° | 120.0° |
| C16 | C18 | N19 | 121.5° | 120.5° |
| C16 | C18 | N34 | 119.6° | 119.1° |
| N19 | C18 | N34 | 119.0° | 120.4° |
| C18 | N19 | H191 | 116.5° | 120.0° |
| N25 | S26 | O27 | 108.3° | 104.2° |
| N25 | S26 | O28 | 106.1° | 104.3° |
| N25 | S26 | C29 | 107.9° | 104.5° |
| S26 | N25 | H251 | 104.6° | 120.0° |
| O27 | S26 | O28 | 117.1° | 121.0° |
| O27 | S26 | C29 | 109.3° | 110.6° |
| O28 | S26 | C29 | 107.7° | 110.5° |
| S26 | C29 | C30 | 106.9° | 109.5° |
| S26 | C29 | C31 | 109.7° | 109.5° |
| S26 | C29 | C32 | 105.7° | 109.5° |
| C30 | C29 | C31 | 111.2° | 109.5° |
| C30 | C29 | C32 | 111.0° | 109.4° |
| C29 | C30 | H301 | 109.5° | 109.5° |
| C29 | C30 | H302 | 109.5° | 109.5° |
| C29 | C30 | H303 | 109.4° | 109.5° |
| C31 | C29 | C32 | 112.0° | 109.5° |
| C29 | C31 | H311 | 109.5° | 109.5° |
| C29 | C31 | H312 | 109.5° | 109.5° |
| C29 | C31 | H313 | 109.5° | 109.5° |
| C29 | C32 | H321 | 109.5° | 109.5° |
| C29 | C32 | H322 | 109.5° | 109.5° |
| C29 | C32 | H323 | 109.5° | 109.4° |
| C35 | C36 | F37 | 117.7° | 120.0° |
| C36 | C35 | H351 | 119.6° | 120.0° |
| H171 | C17 | H172 | 109.5° | 109.5° |
| H171 | C17 | H173 | 109.5° | 109.5° |
| H172 | C17 | H173 | 109.5° | 109.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.4° |
| H012 | C01 | H013 | 109.5° | 109.4° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.4° | 109.5° |
| H061 | C06 | H062 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.4° | 109.5° |
| H301 | C30 | H303 | 109.5° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.4° |
| H311 | C31 | H312 | 109.5° | 109.4° |
| H311 | C31 | H313 | 109.5° | 109.5° |
| H312 | C31 | H313 | 109.4° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.4° |
| H321 | C32 | H323 | 109.5° | 109.4° |
| H322 | C32 | H323 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C10 | C11 | H101 | 180.0° | 179.8° |
| C09 | C10 | C11 | N12 | 178.7° | 180.0° |
| C10 | C09 | C08 | N05 | 177.8° | 180.0° |
| C10 | C09 | C08 | H091 | 180.0° | 180.0° |
| C10 | C09 | C08 | C36 | 0.3° | 0.0° |
| C09 | C10 | C11 | C35 | 0.5° | 0.1° |
| C10 | C11 | N12 | C13 | 172.0° | 33.9° |
| C10 | C11 | N12 | C35 | 178.0° | 179.9° |
| C11 | C10 | C09 | C08 | 0.4° | 0.0° |
| C10 | C11 | C35 | C36 | 0.7° | 0.1° |
| C10 | C11 | N12 | H121 | 8.0° | 146.1° |
| C11 | C10 | C09 | H091 | 179.6° | 180.0° |
| C10 | C11 | C35 | H351 | 179.4° | 180.0° |
| C13 | N12 | C11 | H121 | 180.0° | 180.0° |
| N12 | C13 | N14 | N34 | 180.0° | 179.8° |
| N12 | C13 | N14 | C15 | 179.3° | 180.0° |
| C13 | N12 | C11 | C35 | 6.0° | 146.2° |
| N12 | C13 | N34 | C18 | 178.3° | 180.0° |
| C11 | N12 | C13 | N14 | 177.3° | 5.5° |
| C11 | N12 | C13 | N34 | 2.7° | 174.7° |
| N12 | C11 | C35 | C36 | 178.6° | 180.0° |
| N12 | C11 | C10 | H101 | 1.3° | 0.2° |
| N12 | C11 | C35 | H351 | 1.4° | 0.0° |
| C13 | N14 | C15 | C16 | 0.9° | 0.0° |
| N14 | C13 | N34 | C18 | 1.7° | 0.3° |
| N14 | C13 | N12 | H121 | 2.7° | 174.5° |
| C13 | N14 | C15 | H151 | 179.1° | 180.0° |
| N34 | C13 | N14 | C15 | 0.7° | 0.3° |
| C13 | N34 | C18 | C16 | 1.0° | 0.0° |
| C13 | N34 | C18 | N19 | 178.3° | 179.8° |
| N34 | C13 | N12 | H121 | 177.3° | 5.2° |
| N14 | C15 | C16 | H151 | 180.0° | 180.0° |
| N14 | C15 | C16 | C17 | 179.4° | 179.9° |
| N14 | C15 | C16 | C18 | 1.6° | 0.2° |
| C15 | C16 | C17 | C18 | 179.0° | 179.7° |
| C15 | C16 | C18 | N19 | 179.9° | 180.0° |
| C15 | C16 | C18 | N34 | 0.6° | 0.2° |
| C15 | C16 | C17 | H171 | 90.5° | 90.0° |
| C15 | C16 | C17 | H172 | 149.5° | 150.0° |
| C15 | C16 | C17 | H173 | 29.5° | 30.0° |
| C17 | C16 | C18 | N19 | 1.1° | 0.3° |
| C17 | C16 | C18 | N34 | 179.6° | 180.0° |
| C17 | C16 | C15 | H151 | 0.6° | 0.0° |
| C16 | C17 | H171 | H172 | 120.0° | 120.0° |
| C16 | C17 | H171 | H173 | 120.0° | 120.0° |
| C16 | C17 | H172 | H173 | 120.0° | 120.0° |
| C21 | C20 | N19 | C33 | 178.7° | 179.8° |
| C20 | C21 | C22 | H211 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.0° | 0.0° |
| C21 | C20 | C33 | C24 | 0.5° | 0.5° |
| C21 | C20 | N19 | C18 | 46.3° | 33.9° |
| C20 | C21 | C22 | H221 | 180.0° | 180.0° |
| C21 | C20 | N19 | H191 | 133.7° | 146.0° |
| C21 | C20 | C33 | H331 | 179.5° | 180.0° |
| N19 | C20 | C21 | C22 | 179.5° | 180.0° |
| N19 | C20 | C33 | C24 | 179.3° | 179.8° |
| C20 | N19 | C18 | C16 | 179.2° | 174.8° |
| C20 | N19 | C18 | H191 | 180.0° | 179.9° |
| C20 | N19 | C18 | N34 | 0.0° | 5.5° |
| N19 | C20 | C21 | H211 | 0.5° | 0.1° |
| N19 | C20 | C33 | H331 | 0.7° | 0.3° |
| C33 | C20 | C21 | C22 | 0.7° | 0.3° |
| C20 | C33 | C24 | C23 | 0.4° | 0.5° |
| C20 | C33 | C24 | N25 | 179.3° | 179.8° |
| C20 | C33 | C24 | H331 | 180.0° | 179.5° |
| C33 | C20 | N19 | C18 | 135.0° | 146.3° |
| C33 | C20 | C21 | H211 | 179.3° | 179.7° |
| C33 | C20 | N19 | H191 | 45.0° | 33.8° |
| C21 | C22 | C23 | H221 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.9° | 0.0° |
| C21 | C22 | C23 | H231 | 179.1° | 180.0° |
| C22 | C23 | C24 | H231 | 180.0° | 180.0° |
| C22 | C23 | C24 | N25 | 178.6° | 180.0° |
| C22 | C23 | C24 | C33 | 1.1° | 0.2° |
| C23 | C22 | C21 | H211 | 180.0° | 179.9° |
| C23 | C24 | N25 | C33 | 179.7° | 179.8° |
| C23 | C24 | N25 | S26 | 156.2° | 45.0° |
| C24 | C23 | C22 | H221 | 179.0° | 180.0° |
| C23 | C24 | N25 | H251 | 81.3° | 135.0° |
| C23 | C24 | C33 | H331 | 179.6° | 180.0° |
| C24 | N25 | S26 | H251 | 122.4° | 180.0° |
| C24 | N25 | S26 | O27 | 14.8° | 178.9° |
| C24 | N25 | S26 | O28 | 141.3° | 51.1° |
| C24 | N25 | S26 | C29 | 103.5° | 65.0° |
| N25 | C24 | C23 | H231 | 1.4° | 0.0° |
| N25 | C24 | C33 | H331 | 0.7° | 0.3° |
| C33 | C24 | N25 | S26 | 24.0° | 135.2° |
| C33 | C24 | C23 | H231 | 178.9° | 179.8° |
| C33 | C24 | N25 | H251 | 98.4° | 44.8° |
| C01 | N02 | C03 | C07 | 127.5° | 123.8° |
| C01 | N02 | C03 | C04 | 177.6° | 176.8° |
| C01 | N02 | C07 | C06 | 177.9° | 176.8° |
| N02 | C01 | H011 | H012 | 120.0° | 120.0° |
| N02 | C01 | H011 | H013 | 120.0° | 120.0° |
| N02 | C01 | H012 | H013 | 120.0° | 120.0° |
| C01 | N02 | C03 | H031 | 57.4° | 63.2° |
| C01 | N02 | C03 | H032 | 62.1° | 56.9° |
| C01 | N02 | C07 | H071 | 57.4° | 56.9° |
| C01 | N02 | C07 | H072 | 61.5° | 63.2° |
| N02 | C03 | C04 | H031 | 120.3° | 120.0° |
| N02 | C03 | C04 | H032 | 120.3° | 119.9° |
| N02 | C03 | C04 | N05 | 51.1° | 58.4° |
| C03 | N02 | C07 | C06 | 53.3° | 59.3° |
| C03 | N02 | C01 | H011 | 180.0° | 60.0° |
| C03 | N02 | C01 | H012 | 60.0° | 180.0° |
| C03 | N02 | C01 | H013 | 60.0° | 60.0° |
| N02 | C03 | H031 | H032 | 119.2° | 120.0° |
| N02 | C03 | C04 | H041 | 171.8° | 178.4° |
| N02 | C03 | C04 | H042 | 69.6° | 61.6° |
| C03 | N02 | C07 | H071 | 173.8° | 179.3° |
| C03 | N02 | C07 | H072 | 67.3° | 60.6° |
| C07 | N02 | C03 | C04 | 50.1° | 59.4° |
| N02 | C07 | C06 | N05 | 54.8° | 58.4° |
| N02 | C07 | C06 | H071 | 120.6° | 120.0° |
| N02 | C07 | C06 | H072 | 120.5° | 119.9° |
| C07 | N02 | C01 | H011 | 53.0° | 63.8° |
| C07 | N02 | C01 | H012 | 173.0° | 56.2° |
| C07 | N02 | C01 | H013 | 67.0° | 176.2° |
| C07 | N02 | C03 | H031 | 70.1° | 60.6° |
| C07 | N02 | C03 | H032 | 170.4° | 179.3° |
| N02 | C07 | C06 | H061 | 175.0° | 178.4° |
| N02 | C07 | C06 | H062 | 65.4° | 61.6° |
| N02 | C07 | H071 | H072 | 118.2° | 120.1° |
| C03 | C04 | N05 | H041 | 120.7° | 120.0° |
| C03 | C04 | N05 | H042 | 120.7° | 120.0° |
| C03 | C04 | N05 | C06 | 53.4° | 59.3° |
| C03 | C04 | N05 | C08 | 171.4° | 176.8° |
| C04 | C03 | H031 | H032 | 119.2° | 120.1° |
| C03 | C04 | H041 | H042 | 117.9° | 120.0° |
| C04 | N05 | C06 | C08 | 133.1° | 123.9° |
| C04 | N05 | C06 | C07 | 53.7° | 59.3° |
| C04 | N05 | C08 | C09 | 117.9° | 60.0° |
| C04 | N05 | C08 | C36 | 60.3° | 120.0° |
| N05 | C04 | C03 | H031 | 69.2° | 61.6° |
| N05 | C04 | C03 | H032 | 171.4° | 178.4° |
| N05 | C04 | H041 | H042 | 117.9° | 120.1° |
| C04 | N05 | C06 | H061 | 173.9° | 179.3° |
| C04 | N05 | C06 | H062 | 66.5° | 60.7° |
| N05 | C06 | C07 | H061 | 120.2° | 120.0° |
| N05 | C06 | C07 | H062 | 120.2° | 120.0° |
| C06 | N05 | C08 | C09 | 15.2° | 63.8° |
| C06 | N05 | C08 | C36 | 166.7° | 116.2° |
| C06 | N05 | C04 | H041 | 174.1° | 179.3° |
| C06 | N05 | C04 | H042 | 67.3° | 60.6° |
| N05 | C06 | H061 | H062 | 119.4° | 120.0° |
| N05 | C06 | C07 | H071 | 175.4° | 178.4° |
| N05 | C06 | C07 | H072 | 65.7° | 61.5° |
| C08 | N05 | C06 | C07 | 173.2° | 176.8° |
| N05 | C08 | C09 | C36 | 178.2° | 180.0° |
| N05 | C08 | C36 | C35 | 177.7° | 180.0° |
| N05 | C08 | C36 | F37 | 3.3° | 0.0° |
| C08 | N05 | C04 | H041 | 50.7° | 56.8° |
| C08 | N05 | C04 | H042 | 67.9° | 63.3° |
| C08 | N05 | C06 | H061 | 53.0° | 56.8° |
| C08 | N05 | C06 | H062 | 66.6° | 63.2° |
| N05 | C08 | C09 | H091 | 2.2° | 0.0° |
| C07 | C06 | H061 | H062 | 119.4° | 120.1° |
| C06 | C07 | H071 | H072 | 118.3° | 120.0° |
| C09 | C08 | C36 | C35 | 0.5° | 0.0° |
| C09 | C08 | C36 | F37 | 178.5° | 180.0° |
| C08 | C09 | C10 | H101 | 179.6° | 179.8° |
| C08 | C36 | C35 | C11 | 0.7° | 0.0° |
| C08 | C36 | C35 | F37 | 179.0° | 180.0° |
| C36 | C08 | C09 | H091 | 179.7° | 180.0° |
| C08 | C36 | C35 | H351 | 179.3° | 180.0° |
| C11 | C35 | C36 | H351 | 180.0° | 179.9° |
| C11 | C35 | C36 | F37 | 178.3° | 179.9° |
| C35 | C11 | C10 | H101 | 179.5° | 179.7° |
| C35 | C11 | N12 | H121 | 174.0° | 33.8° |
| C16 | C18 | N19 | N34 | 179.2° | 179.8° |
| C18 | C16 | C15 | H151 | 178.4° | 179.8° |
| C18 | C16 | C17 | H171 | 90.5° | 89.7° |
| C18 | C16 | C17 | H172 | 29.5° | 30.3° |
| C18 | C16 | C17 | H173 | 149.4° | 150.3° |
| C16 | C18 | N19 | H191 | 0.8° | 5.1° |
| N34 | C18 | N19 | H191 | 179.9° | 174.7° |
| N25 | S26 | O27 | O28 | 119.9° | 116.7° |
| N25 | S26 | O27 | C29 | 117.4° | 111.8° |
| N25 | S26 | O28 | C29 | 115.4° | 111.8° |
| N25 | S26 | C29 | C30 | 175.2° | 60.0° |
| N25 | S26 | C29 | C31 | 64.0° | 180.0° |
| N25 | S26 | C29 | C32 | 56.9° | 60.0° |
| O27 | S26 | O28 | C29 | 123.6° | 131.6° |
| O27 | S26 | C29 | C30 | 67.1° | 51.6° |
| O27 | S26 | C29 | C31 | 53.6° | 68.4° |
| O27 | S26 | C29 | C32 | 174.6° | 171.6° |
| O27 | S26 | N25 | H251 | 137.2° | 1.1° |
| O28 | S26 | C29 | C30 | 61.1° | 171.6° |
| O28 | S26 | C29 | C31 | 178.2° | 68.4° |
| O28 | S26 | C29 | C32 | 57.2° | 51.6° |
| O28 | S26 | N25 | H251 | 96.2° | 128.9° |
| S26 | C29 | C30 | C31 | 119.8° | 120.0° |
| S26 | C29 | C30 | C32 | 114.8° | 120.0° |
| S26 | C29 | C31 | C32 | 117.0° | 120.0° |
| C29 | S26 | N25 | H251 | 19.0° | 115.0° |
| S26 | C29 | C30 | H301 | 180.0° | 60.0° |
| S26 | C29 | C30 | H302 | 60.0° | 180.0° |
| S26 | C29 | C30 | H303 | 60.0° | 60.0° |
| S26 | C29 | C31 | H311 | 180.0° | 60.0° |
| S26 | C29 | C31 | H312 | 60.0° | 180.0° |
| S26 | C29 | C31 | H313 | 60.0° | 60.0° |
| S26 | C29 | C32 | H321 | 180.0° | 60.0° |
| S26 | C29 | C32 | H322 | 60.0° | 180.0° |
| S26 | C29 | C32 | H323 | 60.0° | 60.0° |
| C30 | C29 | C31 | C32 | 124.8° | 120.0° |
| C29 | C30 | H301 | H302 | 120.0° | 120.0° |
| C29 | C30 | H301 | H303 | 120.0° | 120.0° |
| C29 | C30 | H302 | H303 | 120.0° | 120.0° |
| C30 | C29 | C31 | H311 | 61.9° | 180.0° |
| C30 | C29 | C31 | H312 | 58.1° | 60.0° |
| C30 | C29 | C31 | H313 | 178.1° | 60.0° |
| C30 | C29 | C32 | H321 | 64.4° | 60.0° |
| C30 | C29 | C32 | H322 | 175.6° | 60.0° |
| C30 | C29 | C32 | H323 | 55.6° | 179.9° |
| C31 | C29 | C30 | H301 | 60.3° | 60.0° |
| C31 | C29 | C30 | H302 | 179.8° | 60.0° |
| C31 | C29 | C30 | H303 | 59.8° | 180.0° |
| C29 | C31 | H311 | H312 | 120.0° | 120.0° |
| C29 | C31 | H311 | H313 | 120.0° | 120.0° |
| C29 | C31 | H312 | H313 | 120.0° | 120.0° |
| C31 | C29 | C32 | H321 | 60.6° | 180.0° |
| C31 | C29 | C32 | H322 | 59.4° | 60.0° |
| C31 | C29 | C32 | H323 | 179.4° | 60.1° |
| C32 | C29 | C30 | H301 | 65.2° | 180.0° |
| C32 | C29 | C30 | H302 | 54.8° | 60.0° |
| C32 | C29 | C30 | H303 | 174.8° | 60.0° |
| C32 | C29 | C31 | H311 | 63.0° | 60.0° |
| C32 | C29 | C31 | H312 | 177.0° | 60.0° |
| C32 | C29 | C31 | H313 | 57.1° | 180.0° |
| C29 | C32 | H321 | H322 | 120.0° | 120.0° |
| C29 | C32 | H321 | H323 | 120.0° | 119.9° |
| C29 | C32 | H322 | H323 | 120.0° | 120.0° |
| F37 | C36 | C35 | H351 | 1.6° | 0.0° |
| H101 | C10 | C09 | H091 | 0.3° | 0.2° |
| H171 | C17 | H172 | H173 | 120.0° | 120.0° |
| H211 | C21 | C22 | H221 | 0.0° | 0.0° |
| H221 | C22 | C23 | H231 | 0.9° | 0.0° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H031 | C03 | C04 | H041 | 51.5° | 58.4° |
| H031 | C03 | C04 | H042 | 170.2° | 178.4° |
| H032 | C03 | C04 | H041 | 67.9° | 61.6° |
| H032 | C03 | C04 | H042 | 50.7° | 58.4° |
| H061 | C06 | C07 | H071 | 64.4° | 61.6° |
| H061 | C06 | C07 | H072 | 54.5° | 58.4° |
| H062 | C06 | C07 | H071 | 55.2° | 58.4° |
| H062 | C06 | C07 | H072 | 174.1° | 178.5° |
| H301 | C30 | H302 | H303 | 120.0° | 120.0° |
| H311 | C31 | H312 | H313 | 119.9° | 120.0° |
| H321 | C32 | H322 | H323 | 120.0° | 120.0° |
