TIW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C12 | sing | 1.53Å | 1.56Å | |
| C10 | C09 | sing | 1.53Å | 1.54Å | |
| C11 | C09 | sing | 1.53Å | 1.54Å | |
| C11 | N03 | sing | 1.47Å | 1.50Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C13 | N03 | sing | 1.47Å | 1.52Å | |
| C14 | C09 | sing | 1.51Å | 1.57Å | |
| C14 | N04 | sing | 1.35Å | 1.41Å | |
| C14 | O02 | doub | 1.21Å | 1.22Å | |
| C15 | C16 | sing | 1.46Å | 1.49Å | Aromatic |
| C15 | N03 | sing | 1.38Å | 1.51Å | |
| C15 | N05 | doub | 1.33Å | 1.31Å | Aromatic |
| C16 | C17 | sing | 1.47Å | 1.43Å | Aromatic |
| C16 | C19 | doub | 1.38Å | 1.43Å | Aromatic |
| C18 | N04 | sing | 1.46Å | 1.46Å | |
| C20 | N05 | sing | 1.32Å | 1.44Å | Aromatic |
| C20 | N08 | doub | 1.31Å | 1.32Å | Aromatic |
| C17 | N07 | doub | 1.32Å | 1.42Å | Aromatic |
| C17 | N08 | sing | 1.35Å | 1.45Å | Aromatic |
| C19 | N06 | sing | 1.34Å | 1.40Å | Aromatic |
| C21 | C23 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C24 | sing | 1.38Å | 1.43Å | Aromatic |
| C22 | C25 | doub | 1.39Å | 1.41Å | Aromatic |
| C22 | C26 | sing | 1.39Å | 1.42Å | Aromatic |
| C22 | N06 | sing | 1.40Å | 1.66Å | |
| C23 | C27 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C28 | doub | 1.38Å | 1.44Å | Aromatic |
| C25 | C29 | sing | 1.38Å | 1.43Å | Aromatic |
| C26 | C30 | doub | 1.38Å | 1.43Å | Aromatic |
| C27 | C32 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C32 | sing | 1.39Å | 1.42Å | Aromatic |
| C29 | C31 | doub | 1.38Å | 1.41Å | Aromatic |
| C30 | C31 | sing | 1.38Å | 1.42Å | Aromatic |
| C31 | C33 | sing | 1.51Å | 1.61Å | |
| C32 | S01 | sing | 1.76Å | 1.97Å | |
| C34 | S01 | sing | 1.81Å | 1.85Å | |
| N06 | N07 | sing | 1.40Å | 1.41Å | Aromatic |
| C18 | C21 | sing | 1.51Å | 1.70Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C25 | H251 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| N04 | H041 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C10 | C09 | 113.6° | 109.1° |
| C10 | C12 | C13 | 113.4° | 109.3° |
| C12 | C10 | H102 | 108.4° | 109.5° |
| C12 | C10 | H101 | 108.4° | 109.5° |
| C10 | C12 | H121 | 108.5° | 109.5° |
| C10 | C12 | H122 | 108.5° | 109.5° |
| C10 | C09 | C11 | 107.0° | 109.3° |
| C10 | C09 | C14 | 110.7° | 109.5° |
| C09 | C10 | H102 | 108.4° | 109.5° |
| C09 | C10 | H101 | 108.4° | 109.5° |
| C10 | C09 | H091 | 109.8° | 109.5° |
| C09 | C11 | N03 | 112.1° | 109.5° |
| C11 | C09 | C14 | 110.1° | 109.5° |
| C09 | C11 | H111 | 108.8° | 109.4° |
| C09 | C11 | H112 | 108.8° | 109.5° |
| C11 | C09 | H091 | 109.8° | 109.5° |
| C11 | N03 | C13 | 109.6° | 111.2° |
| C11 | N03 | C15 | 126.3° | 111.0° |
| N03 | C11 | H111 | 108.8° | 109.4° |
| N03 | C11 | H112 | 108.8° | 109.5° |
| C12 | C13 | N03 | 113.9° | 109.5° |
| C13 | C12 | H121 | 108.5° | 109.5° |
| C13 | C12 | H122 | 108.5° | 109.5° |
| C12 | C13 | H131 | 108.3° | 109.5° |
| C12 | C13 | H132 | 108.3° | 109.5° |
| C13 | N03 | C15 | 124.1° | 111.0° |
| N03 | C13 | H131 | 108.3° | 109.5° |
| N03 | C13 | H132 | 108.4° | 109.4° |
| C09 | C14 | N04 | 127.4° | 120.0° |
| C09 | C14 | O02 | 116.7° | 120.0° |
| C14 | C09 | H091 | 109.4° | 109.5° |
| N04 | C14 | O02 | 115.8° | 120.0° |
| C14 | N04 | C18 | 121.3° | 120.0° |
| C14 | N04 | H041 | 119.4° | 120.0° |
| C16 | C15 | N03 | 117.8° | 121.3° |
| C16 | C15 | N05 | 120.5° | 117.5° |
| C15 | C16 | C17 | 117.2° | 117.2° |
| C15 | C16 | C19 | 138.6° | 136.1° |
| N03 | C15 | N05 | 121.7° | 121.2° |
| C15 | N05 | C20 | 120.4° | 122.0° |
| C17 | C16 | C19 | 104.2° | 106.6° |
| C16 | C17 | N07 | 109.3° | 106.6° |
| C16 | C17 | N08 | 119.3° | 117.7° |
| C16 | C19 | N06 | 111.2° | 107.8° |
| C16 | C19 | H191 | 124.4° | 126.1° |
| N04 | C18 | C21 | 115.7° | 109.5° |
| N04 | C18 | H182 | 107.9° | 109.5° |
| N04 | C18 | H181 | 107.9° | 109.5° |
| C18 | N04 | H041 | 119.4° | 120.0° |
| N05 | C20 | N08 | 123.5° | 124.6° |
| N05 | C20 | H201 | 118.2° | 117.7° |
| C20 | N08 | C17 | 119.0° | 120.9° |
| N08 | C20 | H201 | 118.2° | 117.7° |
| N07 | C17 | N08 | 131.4° | 135.7° |
| C17 | N07 | N06 | 108.4° | 109.1° |
| C19 | N06 | C22 | 127.7° | 125.1° |
| C19 | N06 | N07 | 106.8° | 109.9° |
| N06 | C19 | H191 | 124.4° | 126.1° |
| C23 | C21 | C24 | 117.7° | 120.2° |
| C21 | C23 | C27 | 122.0° | 120.1° |
| C23 | C21 | C18 | 118.8° | 119.9° |
| C21 | C23 | H231 | 119.0° | 120.0° |
| C21 | C24 | C28 | 120.8° | 120.1° |
| C24 | C21 | C18 | 123.4° | 119.9° |
| C21 | C24 | H241 | 119.6° | 120.0° |
| C25 | C22 | C26 | 118.6° | 119.8° |
| C25 | C22 | N06 | 121.8° | 120.1° |
| C22 | C25 | C29 | 120.2° | 120.0° |
| C22 | C25 | H251 | 119.9° | 120.0° |
| C26 | C22 | N06 | 119.6° | 120.1° |
| C22 | C26 | C30 | 120.3° | 119.9° |
| C22 | C26 | H261 | 119.9° | 120.0° |
| C22 | N06 | N07 | 125.4° | 125.1° |
| C23 | C27 | C32 | 120.1° | 119.9° |
| C27 | C23 | H231 | 119.0° | 119.9° |
| C23 | C27 | H271 | 119.9° | 120.1° |
| C24 | C28 | C32 | 119.0° | 119.9° |
| C28 | C24 | H241 | 119.6° | 119.9° |
| C24 | C28 | H281 | 120.5° | 120.0° |
| C25 | C29 | C31 | 122.3° | 120.0° |
| C29 | C25 | H251 | 119.9° | 120.0° |
| C25 | C29 | H291 | 118.9° | 120.0° |
| C26 | C30 | C31 | 122.2° | 120.1° |
| C30 | C26 | H261 | 119.9° | 120.1° |
| C26 | C30 | H301 | 118.9° | 119.9° |
| C27 | C32 | C28 | 120.4° | 119.9° |
| C27 | C32 | S01 | 118.4° | 120.1° |
| C32 | C27 | H271 | 119.9° | 120.0° |
| C28 | C32 | S01 | 121.2° | 120.1° |
| C32 | C28 | H281 | 120.5° | 120.1° |
| C29 | C31 | C30 | 116.5° | 120.2° |
| C29 | C31 | C33 | 121.7° | 119.9° |
| C31 | C29 | H291 | 118.9° | 120.0° |
| C30 | C31 | C33 | 121.8° | 119.9° |
| C31 | C30 | H301 | 118.9° | 120.0° |
| C31 | C33 | H332 | 109.5° | 109.5° |
| C31 | C33 | H331 | 109.4° | 109.5° |
| C31 | C33 | H333 | 109.5° | 109.5° |
| C32 | S01 | C34 | 115.8° | 103.0° |
| S01 | C34 | H342 | 109.5° | 109.4° |
| S01 | C34 | H341 | 109.5° | 109.5° |
| S01 | C34 | H343 | 109.5° | 109.5° |
| C21 | C18 | H182 | 107.9° | 109.5° |
| C21 | C18 | H181 | 107.9° | 109.5° |
| H102 | C10 | H101 | 109.5° | 109.6° |
| H111 | C11 | H112 | 109.4° | 109.5° |
| H121 | C12 | H122 | 109.4° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.4° |
| H182 | C18 | H181 | 109.5° | 109.4° |
| H332 | C33 | H331 | 109.5° | 109.4° |
| H332 | C33 | H333 | 109.5° | 109.5° |
| H331 | C33 | H333 | 109.5° | 109.5° |
| H342 | C34 | H341 | 109.4° | 109.4° |
| H342 | C34 | H343 | 109.4° | 109.4° |
| H341 | C34 | H343 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C10 | C09 | H102 | 120.6° | 119.9° |
| C12 | C10 | C09 | H101 | 120.6° | 119.9° |
| C12 | C10 | C09 | C11 | 18.1° | 57.7° |
| C10 | C12 | C13 | H121 | 120.6° | 120.0° |
| C10 | C12 | C13 | H122 | 120.6° | 120.0° |
| C10 | C12 | C13 | N03 | 48.7° | 59.2° |
| C12 | C10 | C09 | C14 | 101.9° | 177.6° |
| C12 | C10 | H102 | H101 | 118.1° | 120.2° |
| C10 | C12 | H121 | H122 | 118.2° | 120.1° |
| C10 | C12 | C13 | H131 | 169.3° | 179.2° |
| C10 | C12 | C13 | H132 | 72.0° | 60.8° |
| C12 | C10 | C09 | H091 | 137.2° | 62.3° |
| C10 | C09 | C11 | C14 | 120.3° | 119.9° |
| C10 | C09 | C11 | H091 | 119.1° | 120.0° |
| C10 | C09 | C11 | N03 | 68.7° | 59.2° |
| C09 | C10 | C12 | C13 | 36.5° | 57.7° |
| C10 | C09 | C14 | H091 | 121.1° | 120.1° |
| C10 | C09 | C14 | N04 | 6.7° | 60.0° |
| C10 | C09 | C14 | O02 | 171.1° | 120.0° |
| C09 | C10 | H102 | H101 | 118.1° | 120.2° |
| C10 | C09 | C11 | H111 | 170.9° | 60.8° |
| C10 | C09 | C11 | H112 | 51.7° | 179.2° |
| C09 | C10 | C12 | H121 | 84.1° | 62.3° |
| C09 | C10 | C12 | H122 | 157.1° | 177.6° |
| C09 | C11 | N03 | H111 | 120.4° | 119.9° |
| C09 | C11 | N03 | H112 | 120.4° | 120.0° |
| C09 | C11 | N03 | C13 | 57.5° | 61.7° |
| C11 | C09 | C14 | H091 | 120.8° | 120.1° |
| C11 | C09 | C14 | N04 | 124.8° | 179.8° |
| C11 | C09 | C14 | O02 | 53.0° | 0.2° |
| C09 | C11 | N03 | C15 | 120.0° | 174.2° |
| C11 | C09 | C10 | H102 | 138.7° | 62.2° |
| C11 | C09 | C10 | H101 | 102.5° | 177.5° |
| C09 | C11 | H111 | H112 | 118.8° | 120.0° |
| C11 | N03 | C13 | C12 | 2.1° | 61.7° |
| C11 | N03 | C13 | C15 | 177.6° | 124.1° |
| N03 | C11 | C09 | C14 | 51.6° | 179.1° |
| C11 | N03 | C15 | C16 | 159.6° | 180.0° |
| C11 | N03 | C15 | N05 | 19.7° | 0.3° |
| N03 | C11 | H111 | H112 | 118.8° | 120.0° |
| C11 | N03 | C13 | H131 | 122.8° | 178.2° |
| C11 | N03 | C13 | H132 | 118.5° | 58.3° |
| N03 | C11 | C09 | H091 | 172.2° | 60.8° |
| C12 | C13 | N03 | H131 | 120.6° | 120.1° |
| C12 | C13 | N03 | H132 | 120.6° | 120.0° |
| C12 | C13 | N03 | C15 | 179.7° | 174.2° |
| C13 | C12 | C10 | H102 | 84.1° | 62.2° |
| C13 | C12 | C10 | H101 | 157.1° | 177.6° |
| C13 | C12 | H121 | H122 | 118.2° | 120.0° |
| C12 | C13 | H131 | H132 | 117.9° | 120.0° |
| C13 | N03 | C15 | C16 | 17.6° | 55.8° |
| C13 | N03 | C15 | N05 | 163.1° | 124.5° |
| C13 | N03 | C11 | H111 | 177.9° | 58.2° |
| C13 | N03 | C11 | H112 | 62.9° | 178.3° |
| N03 | C13 | C12 | H121 | 71.9° | 60.8° |
| N03 | C13 | C12 | H122 | 169.3° | 179.1° |
| N03 | C13 | H131 | H132 | 118.0° | 119.9° |
| C09 | C14 | N04 | O02 | 177.8° | 180.0° |
| C09 | C14 | N04 | C18 | 177.6° | 180.0° |
| C14 | C09 | C10 | H102 | 18.7° | 57.7° |
| C14 | C09 | C10 | H101 | 137.5° | 62.5° |
| C14 | C09 | C11 | H111 | 68.8° | 59.1° |
| C14 | C09 | C11 | H112 | 172.0° | 60.9° |
| C09 | C14 | N04 | H041 | 2.5° | 0.0° |
| C14 | N04 | C18 | H041 | 180.0° | 179.9° |
| C14 | N04 | C18 | C21 | 55.9° | 180.0° |
| C14 | N04 | C18 | H182 | 176.8° | 60.0° |
| C14 | N04 | C18 | H181 | 65.0° | 59.9° |
| N04 | C14 | C09 | H091 | 114.4° | 60.1° |
| O02 | C14 | N04 | C18 | 0.3° | 0.0° |
| O02 | C14 | C09 | H091 | 67.7° | 119.9° |
| O02 | C14 | N04 | H041 | 179.7° | 180.0° |
| C16 | C15 | N03 | N05 | 179.3° | 179.7° |
| C15 | C16 | C17 | C19 | 179.7° | 180.0° |
| C16 | C15 | N05 | C20 | 1.1° | 0.0° |
| C15 | C16 | C17 | N07 | 179.6° | 180.0° |
| C15 | C16 | C17 | N08 | 0.1° | 0.0° |
| C15 | C16 | C19 | N06 | 179.5° | 180.0° |
| C15 | C16 | C19 | H191 | 0.5° | 0.0° |
| N03 | C15 | C16 | C17 | 179.9° | 180.0° |
| N03 | C15 | C16 | C19 | 0.3° | 0.0° |
| N03 | C15 | N05 | C20 | 179.6° | 179.7° |
| C15 | N03 | C11 | H111 | 0.4° | 65.9° |
| C15 | N03 | C11 | H112 | 119.6° | 54.2° |
| C15 | N03 | C13 | H131 | 59.7° | 54.1° |
| C15 | N03 | C13 | H132 | 59.1° | 65.8° |
| N05 | C15 | C16 | C17 | 0.8° | 0.3° |
| N05 | C15 | C16 | C19 | 179.6° | 179.7° |
| C15 | N05 | C20 | N08 | 0.4° | 0.6° |
| C15 | N05 | C20 | H201 | 179.6° | 180.0° |
| C16 | C17 | N08 | C20 | 0.8° | 0.6° |
| C16 | C17 | N07 | N08 | 179.5° | 179.9° |
| C17 | C16 | C19 | N06 | 0.1° | 0.0° |
| C16 | C17 | N07 | N06 | 0.0° | 0.0° |
| C17 | C16 | C19 | H191 | 179.9° | 180.0° |
| C19 | C16 | C17 | N07 | 0.1° | 0.0° |
| C19 | C16 | C17 | N08 | 179.6° | 180.0° |
| C16 | C19 | N06 | H191 | 180.0° | 180.0° |
| C16 | C19 | N06 | C22 | 179.7° | 180.0° |
| C16 | C19 | N06 | N07 | 0.1° | 0.0° |
| N04 | C18 | C21 | C23 | 101.6° | 90.0° |
| N04 | C18 | C21 | C24 | 77.4° | 90.3° |
| N04 | C18 | C21 | H182 | 120.9° | 120.0° |
| N04 | C18 | C21 | H181 | 120.9° | 120.0° |
| N04 | C18 | H182 | H181 | 117.1° | 120.0° |
| N05 | C20 | N08 | H201 | 180.0° | 179.4° |
| N05 | C20 | N08 | C17 | 0.5° | 0.9° |
| C20 | N08 | C17 | N07 | 179.8° | 179.5° |
| C17 | N07 | N06 | C19 | 0.1° | 0.0° |
| C17 | N07 | N06 | C22 | 179.6° | 180.0° |
| N08 | C17 | N07 | N06 | 179.4° | 180.0° |
| C17 | N08 | C20 | H201 | 179.5° | 179.7° |
| C19 | N06 | C22 | C25 | 34.4° | 180.0° |
| C19 | N06 | C22 | C26 | 146.9° | 0.2° |
| C19 | N06 | C22 | N07 | 179.4° | 180.0° |
| C23 | C21 | C24 | C18 | 179.0° | 179.7° |
| C21 | C23 | C27 | H231 | 180.0° | 180.0° |
| C23 | C21 | C24 | C28 | 0.3° | 0.3° |
| C21 | C23 | C27 | C32 | 0.8° | 0.0° |
| C23 | C21 | C18 | H182 | 19.3° | 150.0° |
| C23 | C21 | C18 | H181 | 137.5° | 30.0° |
| C23 | C21 | C24 | H241 | 179.7° | 179.8° |
| C21 | C23 | C27 | H271 | 179.3° | 179.9° |
| C24 | C21 | C23 | C27 | 0.7° | 0.3° |
| C21 | C24 | C28 | H241 | 180.0° | 180.0° |
| C21 | C24 | C28 | C32 | 0.1° | 0.0° |
| C24 | C21 | C18 | H182 | 161.8° | 29.7° |
| C24 | C21 | C18 | H181 | 43.6° | 149.7° |
| C24 | C21 | C23 | H231 | 179.3° | 179.7° |
| C21 | C24 | C28 | H281 | 179.9° | 180.0° |
| C25 | C22 | C26 | N06 | 178.8° | 179.8° |
| C22 | C25 | C29 | H251 | 180.0° | 179.9° |
| C25 | C22 | C26 | C30 | 1.0° | 0.1° |
| C22 | C25 | C29 | C31 | 0.5° | 0.0° |
| C25 | C22 | N06 | N07 | 145.1° | 0.1° |
| C25 | C22 | C26 | H261 | 179.0° | 180.0° |
| C22 | C25 | C29 | H291 | 179.5° | 180.0° |
| C26 | C22 | C25 | C29 | 0.9° | 0.0° |
| C22 | C26 | C30 | H261 | 180.0° | 179.9° |
| C22 | C26 | C30 | C31 | 0.6° | 0.1° |
| C26 | C22 | N06 | N07 | 33.7° | 179.8° |
| C26 | C22 | C25 | H251 | 179.1° | 179.9° |
| C22 | C26 | C30 | H301 | 179.5° | 180.0° |
| N06 | C22 | C25 | C29 | 179.7° | 179.7° |
| N06 | C22 | C26 | C30 | 179.8° | 179.7° |
| C22 | N06 | C19 | H191 | 0.3° | 0.0° |
| N06 | C22 | C25 | H251 | 0.3° | 0.3° |
| N06 | C22 | C26 | H261 | 0.2° | 0.2° |
| C23 | C27 | C32 | H271 | 180.0° | 179.9° |
| C23 | C27 | C32 | C28 | 0.3° | 0.3° |
| C23 | C27 | C32 | S01 | 179.7° | 180.0° |
| C27 | C23 | C21 | C18 | 179.7° | 180.0° |
| C24 | C28 | C32 | C27 | 0.1° | 0.3° |
| C24 | C28 | C32 | H281 | 180.0° | 180.0° |
| C24 | C28 | C32 | S01 | 179.9° | 180.0° |
| C28 | C24 | C21 | C18 | 179.3° | 180.0° |
| C25 | C29 | C31 | H291 | 180.0° | 180.0° |
| C25 | C29 | C31 | C30 | 0.0° | 0.0° |
| C25 | C29 | C31 | C33 | 179.8° | 179.9° |
| C26 | C30 | C31 | C29 | 0.1° | 0.1° |
| C26 | C30 | C31 | H301 | 180.0° | 179.9° |
| C26 | C30 | C31 | C33 | 179.7° | 179.9° |
| C27 | C32 | C28 | S01 | 180.0° | 179.7° |
| C27 | C32 | S01 | C34 | 26.5° | 180.0° |
| C32 | C27 | C23 | H231 | 179.3° | 180.0° |
| C27 | C32 | C28 | H281 | 179.9° | 179.7° |
| C28 | C32 | S01 | C34 | 153.4° | 0.3° |
| C32 | C28 | C24 | H241 | 179.9° | 180.0° |
| C28 | C32 | C27 | H271 | 179.7° | 179.8° |
| C29 | C31 | C30 | C33 | 179.8° | 180.0° |
| C31 | C29 | C25 | H251 | 179.6° | 179.9° |
| C29 | C31 | C30 | H301 | 180.0° | 180.0° |
| C29 | C31 | C33 | H332 | 89.9° | 90.0° |
| C29 | C31 | C33 | H331 | 150.1° | 150.0° |
| C29 | C31 | C33 | H333 | 30.1° | 30.0° |
| C31 | C30 | C26 | H261 | 179.4° | 180.0° |
| C30 | C31 | C29 | H291 | 180.0° | 180.0° |
| C30 | C31 | C33 | H332 | 89.9° | 90.0° |
| C30 | C31 | C33 | H331 | 30.1° | 30.0° |
| C30 | C31 | C33 | H333 | 150.1° | 150.0° |
| C33 | C31 | C29 | H291 | 0.2° | 0.0° |
| C33 | C31 | C30 | H301 | 0.2° | 0.0° |
| C31 | C33 | H332 | H331 | 120.0° | 120.0° |
| C31 | C33 | H332 | H333 | 120.0° | 120.1° |
| C31 | C33 | H331 | H333 | 120.0° | 120.1° |
| S01 | C32 | C27 | H271 | 0.3° | 0.1° |
| S01 | C32 | C28 | H281 | 0.1° | 0.0° |
| C32 | S01 | C34 | H342 | 180.0° | 180.0° |
| C32 | S01 | C34 | H341 | 60.0° | 60.1° |
| C32 | S01 | C34 | H343 | 60.0° | 60.0° |
| S01 | C34 | H342 | H341 | 120.0° | 120.0° |
| S01 | C34 | H342 | H343 | 120.0° | 120.0° |
| S01 | C34 | H341 | H343 | 120.0° | 120.1° |
| N07 | N06 | C19 | H191 | 179.8° | 180.0° |
| C21 | C18 | H182 | H181 | 117.2° | 120.0° |
| C18 | C21 | C23 | H231 | 0.3° | 0.0° |
| C18 | C21 | C24 | H241 | 0.8° | 0.1° |
| C21 | C18 | N04 | H041 | 124.1° | 0.0° |
| H102 | C10 | C12 | H121 | 155.2° | 177.8° |
| H102 | C10 | C12 | H122 | 36.5° | 57.7° |
| H102 | C10 | C09 | H091 | 102.2° | 177.8° |
| H101 | C10 | C12 | H121 | 36.5° | 57.6° |
| H101 | C10 | C12 | H122 | 82.3° | 62.5° |
| H101 | C10 | C09 | H091 | 16.6° | 57.6° |
| H111 | C11 | C09 | H091 | 51.8° | 179.3° |
| H112 | C11 | C09 | H091 | 67.4° | 59.2° |
| H121 | C12 | C13 | H131 | 48.7° | 59.2° |
| H121 | C12 | C13 | H132 | 167.4° | 179.2° |
| H122 | C12 | C13 | H131 | 70.1° | 60.8° |
| H122 | C12 | C13 | H132 | 48.6° | 59.1° |
| H182 | C18 | N04 | H041 | 3.2° | 120.0° |
| H181 | C18 | N04 | H041 | 115.0° | 120.0° |
| H231 | C23 | C27 | H271 | 0.7° | 0.1° |
| H241 | C24 | C28 | H281 | 0.1° | 0.0° |
| H251 | C25 | C29 | H291 | 0.4° | 0.0° |
| H261 | C26 | C30 | H301 | 0.6° | 0.1° |
| H332 | C33 | H331 | H333 | 120.0° | 120.0° |
| H342 | C34 | H341 | H343 | 120.0° | 120.0° |
