DT8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O34 | C21 | doub | 1.23Å | 1.23Å | |
| C21 | N35 | sing | 1.40Å | 1.38Å | |
| C21 | C17 | sing | 1.50Å | 1.56Å | |
| N35 | C36 | sing | 1.46Å | 1.50Å | |
| N35 | C37 | sing | 1.46Å | 1.50Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H363 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.53Å | 1.56Å | |
| C17 | C16 | sing | 1.53Å | 1.57Å | |
| C17 | H17 | sing | 1.10Å | 1.10Å | |
| C18 | C19 | sing | 1.53Å | 1.54Å | |
| C18 | H181 | sing | 1.10Å | 1.10Å | |
| C18 | H182 | sing | 1.10Å | 1.10Å | |
| C19 | C13 | sing | 1.53Å | 1.55Å | |
| C19 | H191 | sing | 1.10Å | 1.10Å | |
| C19 | H192 | sing | 1.10Å | 1.10Å | |
| C13 | C15 | sing | 1.54Å | 1.56Å | |
| C13 | N12 | sing | 1.44Å | 1.47Å | |
| C13 | H13 | sing | 1.10Å | 1.10Å | |
| N12 | C11 | sing | 1.38Å | 1.30Å | |
| N12 | HN12 | sing | 1.01Å | 1.00Å | |
| C11 | C8 | sing | 1.49Å | 1.53Å | |
| C11 | O14 | doub | 1.23Å | 1.23Å | |
| C8 | C9 | doub | 1.34Å | 1.36Å | |
| C8 | N7 | sing | 1.34Å | 1.44Å | |
| N7 | C5 | sing | 1.38Å | 1.37Å | |
| N7 | HN7 | sing | 1.01Å | 1.00Å | |
| C5 | C6 | doub | 1.40Å | 1.42Å | |
| C5 | C4 | sing | 1.40Å | 1.40Å | |
| C4 | C3 | doub | 1.40Å | 1.38Å | |
| C4 | H4 | sing | 1.09Å | 1.08Å | |
| C3 | C2 | sing | 1.39Å | 1.42Å | |
| C3 | H3 | sing | 1.09Å | 1.08Å | |
| C2 | C1 | doub | 1.40Å | 1.40Å | |
| C2 | CL1 | sing | 1.72Å | 1.76Å | |
| C9 | C6 | sing | 1.42Å | 1.50Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C6 | C1 | sing | 1.41Å | 1.41Å | |
| C1 | H1 | sing | 1.09Å | 1.08Å | |
| C16 | C15 | sing | 1.53Å | 1.55Å | |
| C16 | H161 | sing | 1.10Å | 1.10Å | |
| C16 | H162 | sing | 1.10Å | 1.10Å | |
| C15 | N20 | sing | 1.45Å | 1.46Å | |
| C15 | H15 | sing | 1.10Å | 1.10Å | |
| N20 | C22 | sing | 1.39Å | 1.31Å | |
| N20 | HN20 | sing | 1.02Å | 1.00Å | |
| C22 | C23 | sing | 1.45Å | 1.49Å | |
| C22 | O32 | doub | 1.23Å | 1.21Å | |
| C23 | N24 | doub | 1.32Å | 1.35Å | |
| C23 | S27 | sing | 1.72Å | 1.70Å | |
| S27 | C26 | sing | 1.70Å | 1.70Å | |
| C26 | C28 | sing | 1.49Å | 1.53Å | |
| C26 | C25 | doub | 1.38Å | 1.39Å | |
| C28 | N29 | sing | 1.48Å | 1.51Å | |
| C28 | H281 | sing | 1.10Å | 1.10Å | |
| C28 | H282 | sing | 1.10Å | 1.10Å | |
| N29 | C33 | sing | 1.46Å | 1.50Å | |
| N29 | C30 | sing | 1.48Å | 1.51Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.55Å | 1.54Å | |
| C30 | H301 | sing | 1.10Å | 1.10Å | |
| C30 | H302 | sing | 1.10Å | 1.10Å | |
| C31 | C25 | sing | 1.49Å | 1.51Å | |
| C31 | H311 | sing | 1.10Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C25 | N24 | sing | 1.38Å | 1.36Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O34 | C21 | N35 | 121.8° | 124.1° |
| O34 | C21 | C17 | 114.2° | 119.2° |
| N35 | C21 | C17 | 124.0° | 116.6° |
| C21 | N35 | C36 | 118.3° | 122.3° |
| C21 | N35 | C37 | 123.3° | 122.4° |
| C21 | C17 | C18 | 109.2° | 109.8° |
| C21 | C17 | C16 | 110.5° | 109.8° |
| C21 | C17 | H17 | 110.6° | 106.6° |
| C36 | N35 | C37 | 118.4° | 115.3° |
| N35 | C36 | H361 | 109.5° | 110.1° |
| N35 | C36 | H362 | 109.5° | 110.3° |
| N35 | C36 | H363 | 109.5° | 110.2° |
| N35 | C37 | H371 | 109.5° | 110.1° |
| N35 | C37 | H372 | 109.5° | 110.2° |
| N35 | C37 | H373 | 109.5° | 110.2° |
| H371 | C37 | H372 | 109.5° | 108.8° |
| H371 | C37 | H373 | 109.4° | 108.7° |
| H372 | C37 | H373 | 109.5° | 108.7° |
| H361 | C36 | H362 | 109.5° | 108.8° |
| H361 | C36 | H363 | 109.5° | 108.8° |
| H362 | C36 | H363 | 109.5° | 108.7° |
| C18 | C17 | C16 | 113.8° | 111.5° |
| C18 | C17 | H17 | 107.0° | 109.4° |
| C17 | C18 | C19 | 112.4° | 112.0° |
| C17 | C18 | H181 | 108.5° | 109.9° |
| C17 | C18 | H182 | 107.8° | 109.9° |
| C16 | C17 | H17 | 105.6° | 109.6° |
| C17 | C16 | C15 | 110.7° | 112.5° |
| C17 | C16 | H161 | 109.1° | 109.3° |
| C17 | C16 | H162 | 108.8° | 109.5° |
| C19 | C18 | H181 | 108.5° | 109.3° |
| C19 | C18 | H182 | 107.8° | 109.5° |
| C18 | C19 | C13 | 114.4° | 111.6° |
| C18 | C19 | H191 | 107.9° | 109.5° |
| C18 | C19 | H192 | 106.7° | 109.3° |
| H181 | C18 | H182 | 111.8° | 106.1° |
| C13 | C19 | H191 | 107.9° | 110.1° |
| C13 | C19 | H192 | 106.7° | 109.9° |
| C19 | C13 | C15 | 109.9° | 112.3° |
| C19 | C13 | N12 | 103.2° | 110.9° |
| C19 | C13 | H13 | 114.1° | 108.1° |
| H191 | C19 | H192 | 113.4° | 106.3° |
| C15 | C13 | N12 | 111.9° | 111.7° |
| C15 | C13 | H13 | 105.7° | 108.2° |
| C13 | C15 | C16 | 109.6° | 111.1° |
| C13 | C15 | N20 | 111.6° | 112.3° |
| C13 | C15 | H15 | 109.1° | 109.2° |
| N12 | C13 | H13 | 112.2° | 105.4° |
| C13 | N12 | C11 | 118.2° | 122.3° |
| C13 | N12 | HN12 | 120.9° | 117.0° |
| C11 | N12 | HN12 | 120.9° | 120.5° |
| N12 | C11 | C8 | 116.2° | 115.8° |
| N12 | C11 | O14 | 119.9° | 125.0° |
| C8 | C11 | O14 | 123.7° | 119.2° |
| C11 | C8 | C9 | 127.9° | 126.4° |
| C11 | C8 | N7 | 116.3° | 121.8° |
| C9 | C8 | N7 | 115.7° | 111.8° |
| C8 | C9 | C6 | 101.2° | 105.8° |
| C8 | C9 | H9 | 129.4° | 127.6° |
| C8 | N7 | C5 | 104.2° | 108.2° |
| C8 | N7 | HN7 | 127.9° | 127.1° |
| C5 | N7 | HN7 | 127.9° | 124.7° |
| N7 | C5 | C6 | 110.4° | 107.1° |
| N7 | C5 | C4 | 125.3° | 130.3° |
| C6 | C5 | C4 | 124.1° | 122.6° |
| C5 | C6 | C9 | 108.3° | 107.1° |
| C5 | C6 | C1 | 118.5° | 118.8° |
| C5 | C4 | C3 | 117.0° | 117.6° |
| C5 | C4 | H4 | 121.5° | 121.4° |
| C3 | C4 | H4 | 121.5° | 121.0° |
| C4 | C3 | C2 | 120.1° | 121.0° |
| C4 | C3 | H3 | 119.9° | 118.6° |
| C2 | C3 | H3 | 119.9° | 120.5° |
| C3 | C2 | C1 | 123.1° | 120.8° |
| C3 | C2 | CL1 | 116.2° | 119.7° |
| C1 | C2 | CL1 | 120.7° | 119.5° |
| C2 | C1 | C6 | 117.0° | 119.2° |
| C2 | C1 | H1 | 121.5° | 120.9° |
| C6 | C9 | H9 | 129.4° | 126.6° |
| C9 | C6 | C1 | 133.1° | 134.2° |
| C6 | C1 | H1 | 121.5° | 119.9° |
| C15 | C16 | H161 | 109.1° | 108.9° |
| C15 | C16 | H162 | 108.8° | 110.2° |
| C16 | C15 | N20 | 112.4° | 110.4° |
| C16 | C15 | H15 | 108.1° | 108.8° |
| H161 | C16 | H162 | 110.4° | 106.1° |
| N20 | C15 | H15 | 105.9° | 104.8° |
| C15 | N20 | C22 | 125.0° | 122.5° |
| C15 | N20 | HN20 | 117.5° | 117.1° |
| C22 | N20 | HN20 | 117.5° | 120.3° |
| N20 | C22 | C23 | 116.4° | 115.9° |
| N20 | C22 | O32 | 123.0° | 124.8° |
| C23 | C22 | O32 | 120.5° | 119.2° |
| C22 | C23 | N24 | 126.9° | 123.2° |
| C22 | C23 | S27 | 115.7° | 120.1° |
| N24 | C23 | S27 | 117.3° | 116.6° |
| C23 | N24 | C25 | 107.7° | 108.4° |
| C23 | S27 | C26 | 88.4° | 88.8° |
| S27 | C26 | C28 | 123.1° | 125.3° |
| S27 | C26 | C25 | 111.1° | 110.4° |
| C28 | C26 | C25 | 125.8° | 124.3° |
| C26 | C28 | N29 | 110.4° | 110.4° |
| C26 | C28 | H281 | 109.2° | 108.9° |
| C26 | C28 | H282 | 109.0° | 110.1° |
| C26 | C25 | C31 | 121.2° | 121.6° |
| C26 | C25 | N24 | 115.4° | 115.8° |
| N29 | C28 | H281 | 109.2° | 110.4° |
| N29 | C28 | H282 | 109.0° | 108.9° |
| C28 | N29 | C33 | 117.0° | 110.3° |
| C28 | N29 | C30 | 114.3° | 111.7° |
| H281 | C28 | H282 | 110.2° | 108.2° |
| C33 | N29 | C30 | 111.6° | 110.7° |
| N29 | C33 | H331 | 109.5° | 110.1° |
| N29 | C33 | H332 | 109.4° | 110.3° |
| N29 | C33 | H333 | 109.4° | 110.2° |
| N29 | C30 | C31 | 114.8° | 111.6° |
| N29 | C30 | H301 | 107.8° | 110.0° |
| N29 | C30 | H302 | 106.5° | 110.0° |
| H331 | C33 | H332 | 109.5° | 108.8° |
| H331 | C33 | H333 | 109.5° | 108.7° |
| H332 | C33 | H333 | 109.5° | 108.7° |
| C31 | C30 | H301 | 107.7° | 108.1° |
| C31 | C30 | H302 | 106.5° | 109.8° |
| C30 | C31 | C25 | 112.0° | 110.8° |
| C30 | C31 | H311 | 108.6° | 109.5° |
| C30 | C31 | H312 | 108.1° | 109.7° |
| H301 | C30 | H302 | 113.7° | 107.1° |
| C25 | C31 | H311 | 108.7° | 108.6° |
| C25 | C31 | H312 | 108.1° | 110.4° |
| C31 | C25 | N24 | 123.4° | 122.6° |
| H311 | C31 | H312 | 111.4° | 107.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O34 | C21 | N35 | C17 | 179.6° | 180.0° |
| O34 | C21 | N35 | C36 | 0.1° | 180.0° |
| O34 | C21 | N35 | C37 | 178.8° | 0.0° |
| O34 | C21 | C17 | C18 | 43.3° | 91.6° |
| O34 | C21 | C17 | C16 | 82.6° | 31.3° |
| O34 | C21 | C17 | H17 | 160.8° | 150.0° |
| C21 | N35 | C36 | C37 | 178.9° | 179.9° |
| C21 | N35 | C37 | H371 | 117.0° | 37.0° |
| C21 | N35 | C37 | H372 | 3.0° | 157.1° |
| C21 | N35 | C37 | H373 | 123.0° | 82.9° |
| C21 | N35 | C36 | H361 | 58.0° | 99.4° |
| C21 | N35 | C36 | H362 | 62.0° | 20.6° |
| C21 | N35 | C36 | H363 | 178.0° | 140.6° |
| N35 | C21 | C17 | C18 | 137.1° | 88.4° |
| N35 | C21 | C17 | C16 | 97.0° | 148.7° |
| N35 | C21 | C17 | H17 | 19.6° | 30.0° |
| C17 | C21 | N35 | C36 | 179.7° | 0.0° |
| C17 | C21 | N35 | C37 | 0.8° | 180.0° |
| C21 | C17 | C18 | C16 | 124.0° | 121.9° |
| C21 | C17 | C18 | H17 | 119.7° | 116.7° |
| C21 | C17 | C16 | H17 | 119.6° | 116.8° |
| C21 | C17 | C18 | C19 | 169.5° | 175.9° |
| C21 | C17 | C18 | H181 | 70.5° | 54.2° |
| C21 | C17 | C18 | H182 | 50.7° | 62.2° |
| C21 | C17 | C16 | C15 | 175.2° | 175.7° |
| C21 | C17 | C16 | H161 | 55.2° | 54.5° |
| C21 | C17 | C16 | H162 | 65.3° | 61.3° |
| C36 | N35 | C37 | H371 | 64.1° | 143.0° |
| C36 | N35 | C37 | H372 | 175.9° | 23.0° |
| C36 | N35 | C37 | H373 | 55.9° | 97.0° |
| N35 | C36 | H361 | H362 | 120.0° | 120.9° |
| N35 | C36 | H361 | H363 | 120.0° | 120.8° |
| N35 | C36 | H362 | H363 | 120.0° | 120.9° |
| N35 | C37 | H371 | H372 | 120.0° | 120.9° |
| N35 | C37 | H371 | H373 | 120.0° | 120.9° |
| N35 | C37 | H372 | H373 | 120.0° | 120.9° |
| C37 | N35 | C36 | H361 | 121.0° | 80.6° |
| C37 | N35 | C36 | H362 | 119.0° | 159.4° |
| C37 | N35 | C36 | H363 | 1.0° | 39.3° |
| H371 | C37 | H372 | H373 | 120.0° | 118.3° |
| H361 | C36 | H362 | H363 | 120.0° | 118.3° |
| C18 | C17 | C16 | H17 | 117.1° | 121.3° |
| C17 | C18 | C19 | H181 | 120.0° | 122.0° |
| C17 | C18 | C19 | H182 | 118.7° | 122.2° |
| C17 | C18 | H181 | H182 | 118.8° | 118.8° |
| C17 | C18 | C19 | C13 | 47.5° | 54.2° |
| C17 | C18 | C19 | H191 | 72.5° | 67.9° |
| C17 | C18 | C19 | H192 | 165.3° | 176.0° |
| C18 | C17 | C16 | C15 | 51.9° | 53.7° |
| C18 | C17 | C16 | H161 | 68.1° | 67.4° |
| C18 | C17 | C16 | H162 | 171.4° | 176.7° |
| C16 | C17 | C18 | C19 | 45.5° | 54.0° |
| C16 | C17 | C18 | H181 | 165.5° | 67.7° |
| C16 | C17 | C18 | H182 | 73.3° | 175.9° |
| C17 | C16 | C15 | C13 | 58.9° | 53.2° |
| C17 | C16 | C15 | H161 | 120.0° | 121.4° |
| C17 | C16 | C15 | H162 | 119.5° | 122.6° |
| C17 | C16 | H161 | H162 | 119.5° | 118.1° |
| C17 | C16 | C15 | N20 | 65.8° | 72.0° |
| C17 | C16 | C15 | H15 | 177.6° | 173.4° |
| H17 | C17 | C18 | C19 | 70.8° | 67.4° |
| H17 | C17 | C18 | H181 | 49.2° | 170.9° |
| H17 | C17 | C18 | H182 | 170.4° | 54.5° |
| H17 | C17 | C16 | C15 | 65.1° | 67.5° |
| H17 | C17 | C16 | H161 | 174.9° | 171.3° |
| H17 | C17 | C16 | H162 | 54.3° | 55.5° |
| C19 | C18 | H181 | H182 | 118.8° | 117.9° |
| C18 | C19 | C13 | H191 | 120.0° | 121.8° |
| C18 | C19 | C13 | H192 | 117.8° | 121.5° |
| C18 | C19 | H191 | H192 | 118.0° | 118.0° |
| C18 | C19 | C13 | C15 | 55.3° | 54.0° |
| C18 | C19 | C13 | N12 | 174.8° | 179.7° |
| C18 | C19 | C13 | H13 | 63.2° | 65.2° |
| H181 | C18 | C19 | C13 | 167.5° | 67.8° |
| H181 | C18 | C19 | H191 | 47.5° | 170.0° |
| H181 | C18 | C19 | H192 | 74.6° | 54.0° |
| H182 | C18 | C19 | C13 | 71.2° | 176.4° |
| H182 | C18 | C19 | H191 | 168.8° | 54.3° |
| H182 | C18 | C19 | H192 | 46.6° | 61.8° |
| C13 | C19 | H191 | H192 | 118.0° | 119.0° |
| C19 | C13 | C15 | N12 | 114.0° | 125.3° |
| C19 | C13 | C15 | H13 | 123.6° | 119.2° |
| C19 | C13 | N12 | H13 | 123.2° | 116.7° |
| C19 | C13 | N12 | C11 | 155.0° | 86.7° |
| C19 | C13 | N12 | HN12 | 25.0° | 89.3° |
| C19 | C13 | C15 | C16 | 60.3° | 53.2° |
| C19 | C13 | C15 | N20 | 64.9° | 70.9° |
| C19 | C13 | C15 | H15 | 178.4° | 173.3° |
| H191 | C19 | C13 | C15 | 64.7° | 67.8° |
| H191 | C19 | C13 | N12 | 54.8° | 58.0° |
| H191 | C19 | C13 | H13 | 176.8° | 173.0° |
| H192 | C19 | C13 | C15 | 173.1° | 175.5° |
| H192 | C19 | C13 | N12 | 67.4° | 58.8° |
| H192 | C19 | C13 | H13 | 54.6° | 56.2° |
| C15 | C13 | N12 | H13 | 118.7° | 117.3° |
| C15 | C13 | N12 | C11 | 86.9° | 147.3° |
| C15 | C13 | N12 | HN12 | 93.1° | 36.8° |
| C13 | C15 | C16 | N20 | 124.7° | 125.2° |
| C13 | C15 | C16 | H15 | 118.7° | 120.2° |
| C13 | C15 | C16 | H161 | 61.1° | 68.2° |
| C13 | C15 | C16 | H162 | 178.4° | 175.8° |
| C13 | C15 | N20 | H15 | 118.6° | 118.4° |
| C13 | C15 | N20 | C22 | 168.1° | 148.4° |
| C13 | C15 | N20 | HN20 | 11.9° | 27.5° |
| C13 | N12 | C11 | HN12 | 180.0° | 175.8° |
| C13 | N12 | C11 | C8 | 170.2° | 178.9° |
| C13 | N12 | C11 | O14 | 4.5° | 0.0° |
| N12 | C13 | C15 | C16 | 174.3° | 178.5° |
| N12 | C13 | C15 | N20 | 49.1° | 54.4° |
| N12 | C13 | C15 | H15 | 67.6° | 61.5° |
| H13 | C13 | N12 | C11 | 31.8° | 30.0° |
| H13 | C13 | N12 | HN12 | 148.2° | 154.1° |
| H13 | C13 | C15 | C16 | 63.3° | 65.9° |
| H13 | C13 | C15 | N20 | 171.5° | 169.9° |
| H13 | C13 | C15 | H15 | 54.9° | 54.1° |
| N12 | C11 | C8 | O14 | 174.4° | 178.9° |
| N12 | C11 | C8 | C9 | 23.9° | 0.0° |
| N12 | C11 | C8 | N7 | 151.5° | 180.0° |
| HN12 | N12 | C11 | C8 | 9.8° | 3.1° |
| HN12 | N12 | C11 | O14 | 175.5° | 175.8° |
| C11 | C8 | C9 | N7 | 175.3° | 180.0° |
| C11 | C8 | N7 | C5 | 177.4° | 180.0° |
| C11 | C8 | N7 | HN7 | 2.6° | 0.0° |
| C11 | C8 | C9 | C6 | 178.5° | 180.0° |
| C11 | C8 | C9 | H9 | 1.5° | 0.1° |
| O14 | C11 | C8 | C9 | 161.7° | 178.9° |
| O14 | C11 | C8 | N7 | 22.9° | 1.1° |
| C9 | C8 | N7 | C5 | 1.5° | 0.0° |
| C9 | C8 | N7 | HN7 | 178.5° | 180.0° |
| C8 | C9 | C6 | C5 | 3.7° | 0.0° |
| C8 | C9 | C6 | H9 | 180.0° | 179.9° |
| C8 | C9 | C6 | C1 | 179.6° | 180.0° |
| C8 | N7 | C5 | HN7 | 180.0° | 180.0° |
| C8 | N7 | C5 | C6 | 1.1° | 0.0° |
| C8 | N7 | C5 | C4 | 176.7° | 180.0° |
| N7 | C8 | C9 | C6 | 3.2° | 0.0° |
| N7 | C8 | C9 | H9 | 176.8° | 179.9° |
| N7 | C5 | C6 | C4 | 175.7° | 179.9° |
| N7 | C5 | C4 | C3 | 178.5° | 180.0° |
| N7 | C5 | C4 | H4 | 1.4° | 0.1° |
| N7 | C5 | C6 | C9 | 3.1° | 0.1° |
| N7 | C5 | C6 | C1 | 179.6° | 180.0° |
| HN7 | N7 | C5 | C6 | 178.8° | 180.0° |
| HN7 | N7 | C5 | C4 | 3.2° | 0.1° |
| C6 | C5 | C4 | C3 | 3.5° | 0.1° |
| C6 | C5 | C4 | H4 | 176.5° | 180.0° |
| C5 | C6 | C1 | C2 | 1.5° | 0.0° |
| C5 | C6 | C9 | C1 | 176.7° | 179.9° |
| C5 | C6 | C9 | H9 | 176.3° | 180.0° |
| C5 | C6 | C1 | H1 | 178.5° | 179.9° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.7° | 0.1° |
| C5 | C4 | C3 | H3 | 179.3° | 179.9° |
| C4 | C5 | C6 | C9 | 178.8° | 180.0° |
| C4 | C5 | C6 | C1 | 3.9° | 0.1° |
| C4 | C3 | C2 | H3 | 180.0° | 180.0° |
| C4 | C3 | C2 | C1 | 1.6° | 0.0° |
| C4 | C3 | C2 | CL1 | 177.7° | 180.0° |
| H4 | C4 | C3 | C2 | 179.2° | 180.0° |
| H4 | C4 | C3 | H3 | 0.7° | 0.0° |
| C3 | C2 | C1 | CL1 | 179.2° | 180.0° |
| C3 | C2 | C1 | C6 | 1.1° | 0.0° |
| C3 | C2 | C1 | H1 | 178.9° | 180.0° |
| H3 | C3 | C2 | C1 | 178.4° | 180.0° |
| H3 | C3 | C2 | CL1 | 2.3° | 0.0° |
| C2 | C1 | C6 | C9 | 177.9° | 179.9° |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| CL1 | C2 | C1 | C6 | 178.1° | 180.0° |
| CL1 | C2 | C1 | H1 | 1.9° | 0.0° |
| C9 | C6 | C1 | H1 | 2.0° | 0.1° |
| H9 | C9 | C6 | C1 | 0.4° | 0.1° |
| C15 | C16 | H161 | H162 | 119.5° | 118.6° |
| C16 | C15 | N20 | H15 | 117.9° | 117.0° |
| C16 | C15 | N20 | C22 | 68.3° | 87.0° |
| C16 | C15 | N20 | HN20 | 111.7° | 97.0° |
| H161 | C16 | C15 | N20 | 174.2° | 166.6° |
| H161 | C16 | C15 | H15 | 57.7° | 52.0° |
| H162 | C16 | C15 | N20 | 53.7° | 50.6° |
| H162 | C16 | C15 | H15 | 62.9° | 64.0° |
| C15 | N20 | C22 | HN20 | 180.0° | 175.8° |
| C15 | N20 | C22 | C23 | 169.2° | 178.9° |
| C15 | N20 | C22 | O32 | 14.4° | 0.1° |
| H15 | C15 | N20 | C22 | 49.6° | 30.0° |
| H15 | C15 | N20 | HN20 | 130.4° | 145.9° |
| N20 | C22 | C23 | O32 | 176.6° | 178.9° |
| N20 | C22 | C23 | N24 | 7.0° | 0.0° |
| N20 | C22 | C23 | S27 | 168.2° | 179.9° |
| HN20 | N20 | C22 | C23 | 10.8° | 3.0° |
| HN20 | N20 | C22 | O32 | 165.7° | 175.8° |
| C22 | C23 | N24 | S27 | 175.1° | 179.9° |
| C22 | C23 | S27 | C26 | 178.7° | 179.8° |
| C22 | C23 | N24 | C25 | 178.1° | 179.9° |
| O32 | C22 | C23 | N24 | 176.5° | 178.9° |
| O32 | C22 | C23 | S27 | 8.3° | 1.1° |
| N24 | C23 | S27 | C26 | 3.0° | 0.2° |
| C23 | N24 | C25 | C26 | 1.2° | 0.4° |
| C23 | N24 | C25 | C31 | 177.6° | 179.0° |
| C23 | S27 | C26 | C28 | 179.3° | 178.8° |
| C23 | S27 | C26 | C25 | 2.1° | 0.4° |
| S27 | C23 | N24 | C25 | 2.9° | 0.0° |
| S27 | C26 | C28 | C25 | 178.4° | 178.2° |
| S27 | C26 | C28 | N29 | 167.3° | 163.6° |
| S27 | C26 | C28 | H281 | 72.7° | 75.1° |
| S27 | C26 | C28 | H282 | 47.7° | 43.3° |
| S27 | C26 | C25 | C31 | 179.8° | 179.2° |
| S27 | C26 | C25 | N24 | 0.9° | 0.5° |
| C26 | C28 | N29 | H281 | 120.0° | 120.4° |
| C26 | C28 | N29 | H282 | 119.6° | 121.0° |
| C26 | C28 | H281 | H282 | 119.6° | 119.6° |
| C26 | C28 | N29 | C33 | 173.2° | 171.8° |
| C26 | C28 | N29 | C30 | 40.0° | 48.2° |
| C28 | C26 | C25 | C31 | 1.7° | 2.4° |
| C28 | C26 | C25 | N24 | 179.5° | 178.9° |
| C25 | C26 | C28 | N29 | 14.3° | 18.3° |
| C25 | C26 | C28 | H281 | 105.7° | 103.1° |
| C25 | C26 | C28 | H282 | 133.9° | 138.6° |
| C26 | C25 | C31 | C30 | 14.0° | 15.2° |
| C26 | C25 | C31 | N24 | 178.8° | 178.6° |
| C26 | C25 | C31 | H311 | 134.0° | 105.1° |
| C26 | C25 | C31 | H312 | 104.9° | 136.9° |
| N29 | C28 | H281 | H282 | 119.6° | 119.1° |
| C28 | N29 | C33 | C30 | 134.4° | 124.2° |
| C28 | N29 | C33 | H331 | 162.6° | 17.7° |
| C28 | N29 | C33 | H332 | 77.4° | 102.4° |
| C28 | N29 | C33 | H333 | 42.6° | 137.6° |
| C28 | N29 | C30 | C31 | 55.8° | 64.1° |
| C28 | N29 | C30 | H301 | 64.2° | 175.9° |
| C28 | N29 | C30 | H302 | 173.4° | 58.1° |
| H281 | C28 | N29 | C33 | 53.2° | 51.4° |
| H281 | C28 | N29 | C30 | 80.0° | 72.2° |
| H282 | C28 | N29 | C33 | 67.2° | 67.2° |
| H282 | C28 | N29 | C30 | 159.6° | 169.2° |
| N29 | C33 | H331 | H332 | 120.0° | 120.9° |
| N29 | C33 | H331 | H333 | 120.0° | 120.9° |
| N29 | C33 | H332 | H333 | 120.0° | 120.9° |
| C33 | N29 | C30 | C31 | 168.5° | 172.6° |
| C33 | N29 | C30 | H301 | 71.4° | 52.6° |
| C33 | N29 | C30 | H302 | 50.9° | 65.2° |
| C30 | N29 | C33 | H331 | 63.0° | 141.9° |
| C30 | N29 | C33 | H332 | 57.0° | 21.8° |
| C30 | N29 | C33 | H333 | 177.0° | 98.2° |
| N29 | C30 | C31 | H301 | 120.0° | 121.1° |
| N29 | C30 | C31 | H302 | 117.6° | 122.3° |
| N29 | C30 | H301 | H302 | 117.8° | 119.6° |
| N29 | C30 | C31 | C25 | 40.3° | 45.0° |
| N29 | C30 | C31 | H311 | 160.3° | 74.8° |
| N29 | C30 | C31 | H312 | 78.7° | 167.2° |
| H331 | C33 | H332 | H333 | 120.0° | 118.2° |
| C31 | C30 | H301 | H302 | 117.8° | 118.3° |
| C30 | C31 | C25 | H311 | 120.0° | 120.3° |
| C30 | C31 | C25 | H312 | 118.9° | 121.7° |
| C30 | C31 | H311 | H312 | 119.0° | 119.3° |
| C30 | C31 | C25 | N24 | 167.2° | 166.2° |
| H301 | C30 | C31 | C25 | 79.8° | 166.1° |
| H301 | C30 | C31 | H311 | 40.3° | 46.3° |
| H301 | C30 | C31 | H312 | 161.3° | 71.7° |
| H302 | C30 | C31 | C25 | 157.9° | 77.3° |
| H302 | C30 | C31 | H311 | 82.1° | 162.9° |
| H302 | C30 | C31 | H312 | 39.0° | 44.8° |
| C25 | C31 | H311 | H312 | 119.0° | 119.6° |
| H311 | C31 | C25 | N24 | 47.2° | 73.5° |
| H312 | C31 | C25 | N24 | 73.8° | 44.4° |
