XT7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.58Å | |
| C02 | N03 | sing | 1.46Å | 1.46Å | |
| C02 | C18 | sing | 1.51Å | 1.53Å | |
| N03 | C04 | sing | 1.35Å | 1.39Å | |
| C19 | C18 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C30 | sing | 1.55Å | 1.55Å | |
| C31 | C32 | sing | 1.54Å | 1.54Å | |
| C07 | C06 | sing | 1.51Å | 1.46Å | |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.48Å | 1.45Å | |
| C04 | O17 | doub | 1.22Å | 1.22Å | |
| O33 | C32 | sing | 1.43Å | 1.38Å | |
| C30 | C29 | sing | 1.55Å | 1.56Å | |
| N14 | C13 | sing | 1.48Å | 1.42Å | |
| N14 | C15 | sing | 1.48Å | 1.42Å | |
| C36 | C22 | doub | 1.40Å | 1.42Å | Aromatic |
| C06 | C05 | doub | 1.40Å | 1.37Å | Aromatic |
| C06 | C08 | sing | 1.38Å | 1.38Å | Aromatic |
| C32 | C34 | sing | 1.54Å | 1.57Å | |
| C05 | C16 | sing | 1.39Å | 1.44Å | Aromatic |
| C13 | C12 | sing | 1.54Å | 1.58Å | |
| C08 | C09 | doub | 1.38Å | 1.36Å | Aromatic |
| C21 | C22 | sing | 1.40Å | 1.42Å | Aromatic |
| C16 | C10 | doub | 1.39Å | 1.44Å | Aromatic |
| C22 | C23 | sing | 1.48Å | 1.47Å | |
| C09 | C10 | sing | 1.39Å | 1.41Å | Aromatic |
| C10 | N11 | sing | 1.40Å | 1.45Å | |
| C15 | C12 | sing | 1.54Å | 1.63Å | |
| C29 | C34 | sing | 1.54Å | 1.60Å | |
| C29 | N28 | sing | 1.47Å | 1.52Å | |
| N11 | C12 | sing | 1.47Å | 1.43Å | |
| S35 | C23 | sing | 1.76Å | 1.81Å | Aromatic |
| S35 | C26 | sing | 1.76Å | 1.81Å | Aromatic |
| C23 | C24 | doub | 1.35Å | 1.34Å | Aromatic |
| N28 | C27 | sing | 1.47Å | 1.52Å | |
| C24 | C25 | sing | 1.38Å | 1.45Å | Aromatic |
| C26 | C27 | sing | 1.51Å | 1.54Å | |
| C26 | C25 | doub | 1.34Å | 1.34Å | Aromatic |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| N03 | H5 | sing | 0.97Å | 1.00Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.08Å | 1.08Å | |
| C09 | H10 | sing | 1.08Å | 1.08Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| N14 | H15 | sing | 1.01Å | 1.00Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C20 | H21 | sing | 1.08Å | 1.08Å | |
| C21 | H22 | sing | 1.08Å | 1.08Å | |
| C24 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C27 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| N28 | H27 | sing | 1.01Å | 1.00Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.09Å | 1.10Å | |
| O33 | H35 | sing | 0.97Å | 0.95Å | |
| C34 | H36 | sing | 1.09Å | 1.10Å | |
| C34 | H37 | sing | 1.09Å | 1.10Å | |
| C36 | H38 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | N03 | 107.8° | 109.5° |
| C01 | C02 | C18 | 113.9° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.4° | 109.5° |
| C01 | C02 | H4 | 107.2° | 109.5° |
| N03 | C02 | C18 | 111.4° | 109.5° |
| C02 | N03 | C04 | 128.1° | 120.0° |
| N03 | C02 | H4 | 108.6° | 109.5° |
| C02 | N03 | H5 | 115.9° | 120.0° |
| C02 | C18 | C19 | 120.4° | 119.9° |
| C02 | C18 | C36 | 123.7° | 119.9° |
| C18 | C02 | H4 | 107.8° | 109.4° |
| N03 | C04 | C05 | 126.1° | 120.0° |
| N03 | C04 | O17 | 116.7° | 120.0° |
| C04 | N03 | H5 | 115.9° | 120.1° |
| C18 | C19 | C20 | 120.4° | 120.3° |
| C19 | C18 | C36 | 115.8° | 120.1° |
| C18 | C19 | H20 | 119.8° | 119.8° |
| C19 | C20 | C21 | 121.7° | 120.2° |
| C20 | C19 | H20 | 119.8° | 119.8° |
| C19 | C20 | H21 | 119.2° | 120.0° |
| C18 | C36 | C22 | 127.1° | 119.9° |
| C18 | C36 | H38 | 116.4° | 120.1° |
| C30 | C31 | C32 | 109.5° | 104.2° |
| C31 | C30 | C29 | 106.3° | 102.8° |
| C31 | C30 | H30 | 110.3° | 110.8° |
| C31 | C30 | H31 | 110.3° | 110.9° |
| C30 | C31 | H32 | 109.5° | 110.5° |
| C30 | C31 | H33 | 109.5° | 110.5° |
| C31 | C32 | O33 | 114.6° | 110.0° |
| C31 | C32 | C34 | 99.6° | 106.6° |
| C32 | C31 | H32 | 109.5° | 110.5° |
| C32 | C31 | H33 | 109.4° | 110.5° |
| C31 | C32 | H34 | 110.2° | 110.1° |
| C07 | C06 | C05 | 120.7° | 120.0° |
| C07 | C06 | C08 | 120.2° | 120.0° |
| C06 | C07 | H6 | 109.5° | 109.5° |
| C06 | C07 | H7 | 109.5° | 109.5° |
| C06 | C07 | H8 | 109.5° | 109.5° |
| C20 | C21 | C22 | 121.1° | 119.9° |
| C21 | C20 | H21 | 119.1° | 119.9° |
| C20 | C21 | H22 | 119.5° | 120.1° |
| C05 | C04 | O17 | 117.1° | 120.0° |
| C04 | C05 | C06 | 118.4° | 120.1° |
| C04 | C05 | C16 | 124.1° | 120.1° |
| O33 | C32 | C34 | 109.3° | 110.0° |
| O33 | C32 | H34 | 112.6° | 110.0° |
| C32 | O33 | H35 | 109.5° | 114.0° |
| C30 | C29 | C34 | 103.5° | 104.2° |
| C30 | C29 | N28 | 111.5° | 110.5° |
| C30 | C29 | H29 | 109.4° | 110.6° |
| C29 | C30 | H30 | 110.3° | 110.7° |
| C29 | C30 | H31 | 110.2° | 110.7° |
| C13 | N14 | C15 | 99.7° | 90.7° |
| N14 | C13 | C12 | 86.0° | 86.2° |
| N14 | C13 | H13 | 115.0° | 113.8° |
| N14 | C13 | H14 | 115.0° | 113.9° |
| C13 | N14 | H15 | 111.9° | 111.0° |
| N14 | C15 | C12 | 83.9° | 86.1° |
| C15 | N14 | H15 | 111.9° | 111.0° |
| N14 | C15 | H17 | 115.4° | 113.7° |
| N14 | C15 | H18 | 115.4° | 113.8° |
| C36 | C22 | C21 | 113.9° | 119.7° |
| C36 | C22 | C23 | 122.4° | 120.1° |
| C22 | C36 | H38 | 116.4° | 120.1° |
| C05 | C06 | C08 | 119.1° | 120.0° |
| C06 | C05 | C16 | 117.4° | 119.8° |
| C06 | C08 | C09 | 124.2° | 120.3° |
| C06 | C08 | H9 | 117.9° | 119.9° |
| C32 | C34 | C29 | 108.7° | 106.6° |
| C34 | C32 | H34 | 109.7° | 110.0° |
| C32 | C34 | H36 | 109.7° | 110.0° |
| C32 | C34 | H37 | 109.7° | 110.0° |
| C05 | C16 | C10 | 124.1° | 119.8° |
| C05 | C16 | H19 | 117.9° | 120.1° |
| C13 | C12 | C15 | 85.4° | 86.4° |
| C13 | C12 | N11 | 118.1° | 113.7° |
| C13 | C12 | H12 | 110.6° | 113.7° |
| C12 | C13 | H13 | 115.0° | 113.7° |
| C12 | C13 | H14 | 115.0° | 113.7° |
| C08 | C09 | C10 | 121.8° | 120.2° |
| C09 | C08 | H9 | 117.9° | 119.9° |
| C08 | C09 | H10 | 119.1° | 119.9° |
| C21 | C22 | C23 | 123.7° | 120.2° |
| C22 | C21 | H22 | 119.5° | 120.0° |
| C16 | C10 | C09 | 113.5° | 120.0° |
| C16 | C10 | N11 | 128.9° | 120.0° |
| C10 | C16 | H19 | 117.9° | 120.1° |
| C22 | C23 | S35 | 118.4° | 125.3° |
| C22 | C23 | C24 | 135.7° | 125.3° |
| C09 | C10 | N11 | 117.6° | 120.0° |
| C10 | C09 | H10 | 119.1° | 119.9° |
| C10 | N11 | C12 | 133.7° | 120.0° |
| C10 | N11 | H11 | 103.1° | 120.0° |
| C15 | C12 | N11 | 117.1° | 113.7° |
| C15 | C12 | H12 | 109.9° | 113.7° |
| C12 | C15 | H17 | 115.4° | 113.8° |
| C12 | C15 | H18 | 115.4° | 113.8° |
| C34 | C29 | N28 | 113.5° | 110.5° |
| C34 | C29 | H29 | 108.9° | 110.4° |
| C29 | C34 | H36 | 109.7° | 110.0° |
| C29 | C34 | H37 | 109.7° | 110.0° |
| C29 | N28 | C27 | 123.9° | 111.0° |
| C29 | N28 | H27 | 105.8° | 111.0° |
| N28 | C29 | H29 | 110.0° | 110.5° |
| C12 | N11 | H11 | 103.1° | 120.0° |
| N11 | C12 | H12 | 112.8° | 113.0° |
| C23 | S35 | C26 | 94.3° | 91.0° |
| S35 | C23 | C24 | 105.8° | 109.4° |
| S35 | C26 | C27 | 119.3° | 125.1° |
| S35 | C26 | C25 | 106.4° | 109.7° |
| C23 | C24 | C25 | 117.4° | 114.7° |
| C23 | C24 | H23 | 121.3° | 122.6° |
| N28 | C27 | C26 | 116.1° | 109.5° |
| N28 | C27 | H25 | 107.8° | 109.4° |
| N28 | C27 | H26 | 107.8° | 109.5° |
| C27 | N28 | H27 | 105.7° | 111.1° |
| C24 | C25 | C26 | 116.1° | 115.1° |
| C25 | C24 | H23 | 121.3° | 122.7° |
| C24 | C25 | H24 | 121.9° | 122.4° |
| C27 | C26 | C25 | 134.3° | 125.1° |
| C26 | C27 | H25 | 107.8° | 109.5° |
| C26 | C27 | H26 | 107.8° | 109.5° |
| C26 | C25 | H24 | 122.0° | 122.4° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.4° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H6 | C07 | H8 | 109.5° | 109.4° |
| H7 | C07 | H8 | 109.5° | 109.4° |
| H13 | C13 | H14 | 109.5° | 113.0° |
| H17 | C15 | H18 | 109.5° | 113.0° |
| H25 | C27 | H26 | 109.5° | 109.5° |
| H30 | C30 | H31 | 109.5° | 110.6° |
| H32 | C31 | H33 | 109.5° | 110.5° |
| H36 | C34 | H37 | 109.5° | 110.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | N03 | C18 | 125.7° | 120.0° |
| C01 | C02 | N03 | H4 | 115.8° | 120.0° |
| C01 | C02 | C18 | H4 | 118.8° | 120.0° |
| C01 | C02 | N03 | C04 | 162.8° | 85.0° |
| C01 | C02 | C18 | C19 | 63.5° | 79.7° |
| C01 | C02 | C18 | C36 | 118.7° | 100.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | N03 | H5 | 17.2° | 95.0° |
| N03 | C02 | C18 | H4 | 119.0° | 120.0° |
| C02 | N03 | C04 | H5 | 180.0° | 179.9° |
| N03 | C02 | C18 | C19 | 58.7° | 40.3° |
| N03 | C02 | C18 | C36 | 119.1° | 140.0° |
| C02 | N03 | C04 | C05 | 178.9° | 180.0° |
| C02 | N03 | C04 | O17 | 2.3° | 0.0° |
| N03 | C02 | C01 | H1 | 180.0° | 180.0° |
| N03 | C02 | C01 | H2 | 60.0° | 60.0° |
| N03 | C02 | C01 | H3 | 60.0° | 60.0° |
| C18 | C02 | N03 | C04 | 71.6° | 155.0° |
| C02 | C18 | C19 | C36 | 178.0° | 179.7° |
| C02 | C18 | C19 | C20 | 179.7° | 180.0° |
| C02 | C18 | C36 | C22 | 178.6° | 179.7° |
| C18 | C02 | C01 | H1 | 55.8° | 60.0° |
| C18 | C02 | C01 | H2 | 64.2° | 60.0° |
| C18 | C02 | C01 | H3 | 175.8° | 180.0° |
| C18 | C02 | N03 | H5 | 108.4° | 25.0° |
| C02 | C18 | C19 | H20 | 0.3° | 0.0° |
| C02 | C18 | C36 | H38 | 1.4° | 0.0° |
| N03 | C04 | C05 | O17 | 178.8° | 180.0° |
| N03 | C04 | C05 | C06 | 102.0° | 174.0° |
| N03 | C04 | C05 | C16 | 81.4° | 6.2° |
| C04 | N03 | C02 | H4 | 46.9° | 35.0° |
| C18 | C19 | C20 | H20 | 180.0° | 179.9° |
| C18 | C19 | C20 | C21 | 1.7° | 0.1° |
| C19 | C18 | C36 | C22 | 0.7° | 0.6° |
| C19 | C18 | C02 | H4 | 177.7° | 160.3° |
| C18 | C19 | C20 | H21 | 178.3° | 180.0° |
| C19 | C18 | C36 | H38 | 179.4° | 179.7° |
| C20 | C19 | C18 | C36 | 1.7° | 0.3° |
| C19 | C20 | C21 | H21 | 180.0° | 179.9° |
| C19 | C20 | C21 | C22 | 0.6° | 0.1° |
| C19 | C20 | C21 | H22 | 179.5° | 180.0° |
| C18 | C36 | C22 | H38 | 180.0° | 179.7° |
| C18 | C36 | C22 | C21 | 0.4° | 0.6° |
| C18 | C36 | C22 | C23 | 178.9° | 179.7° |
| C36 | C18 | C02 | H4 | 0.1° | 20.0° |
| C36 | C18 | C19 | H20 | 178.3° | 179.7° |
| C30 | C31 | C32 | H32 | 120.0° | 118.7° |
| C30 | C31 | C32 | H33 | 120.0° | 118.7° |
| C30 | C31 | C32 | O33 | 151.6° | 95.7° |
| C31 | C30 | C29 | H30 | 119.5° | 118.3° |
| C31 | C30 | C29 | H31 | 119.5° | 118.5° |
| C30 | C31 | C32 | C34 | 35.1° | 23.6° |
| C31 | C30 | C29 | C34 | 3.4° | 37.9° |
| C31 | C30 | C29 | N28 | 118.9° | 156.6° |
| C31 | C30 | C29 | H29 | 119.2° | 80.7° |
| C31 | C30 | H30 | H31 | 121.5° | 123.4° |
| C30 | C31 | H32 | H33 | 120.0° | 122.6° |
| C30 | C31 | C32 | H34 | 80.2° | 142.9° |
| C31 | C32 | O33 | C34 | 110.8° | 117.2° |
| C31 | C32 | O33 | H34 | 127.0° | 121.4° |
| C32 | C31 | C30 | C29 | 25.1° | 37.9° |
| C31 | C32 | C34 | H34 | 115.6° | 119.3° |
| C31 | C32 | C34 | C29 | 32.5° | 0.0° |
| C32 | C31 | C30 | H30 | 144.6° | 156.3° |
| C32 | C31 | C30 | H31 | 94.4° | 80.4° |
| C32 | C31 | H32 | H33 | 120.0° | 122.6° |
| C31 | C32 | O33 | H35 | 180.0° | 61.4° |
| C31 | C32 | C34 | H36 | 152.3° | 119.3° |
| C31 | C32 | C34 | H37 | 87.4° | 119.3° |
| C07 | C06 | C05 | C04 | 2.3° | 0.0° |
| C07 | C06 | C05 | C08 | 179.7° | 179.9° |
| C07 | C06 | C05 | C16 | 179.1° | 179.8° |
| C07 | C06 | C08 | C09 | 179.9° | 180.0° |
| C06 | C07 | H6 | H7 | 120.0° | 120.1° |
| C06 | C07 | H6 | H8 | 120.0° | 120.0° |
| C06 | C07 | H7 | H8 | 120.0° | 120.0° |
| C07 | C06 | C08 | H9 | 0.1° | 0.0° |
| C20 | C21 | C22 | C36 | 0.4° | 0.3° |
| C20 | C21 | C22 | H22 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 179.0° | 180.0° |
| C21 | C20 | C19 | H20 | 178.3° | 180.0° |
| C04 | C05 | C06 | C16 | 176.8° | 179.8° |
| C04 | C05 | C06 | C08 | 177.4° | 180.0° |
| C04 | C05 | C16 | C10 | 177.8° | 179.7° |
| C05 | C04 | N03 | H5 | 1.2° | 0.1° |
| C04 | C05 | C16 | H19 | 2.2° | 0.0° |
| O17 | C04 | C05 | C06 | 76.8° | 6.0° |
| O17 | C04 | C05 | C16 | 99.8° | 173.8° |
| O17 | C04 | N03 | H5 | 177.6° | 180.0° |
| O33 | C32 | C34 | H34 | 124.0° | 121.4° |
| O33 | C32 | C34 | C29 | 152.9° | 119.3° |
| O33 | C32 | C31 | H32 | 88.4° | 145.6° |
| O33 | C32 | C31 | H33 | 31.6° | 23.0° |
| O33 | C32 | C34 | H36 | 87.2° | 0.1° |
| O33 | C32 | C34 | H37 | 33.0° | 121.4° |
| C30 | C29 | C34 | C32 | 18.6° | 23.6° |
| C30 | C29 | C34 | N28 | 120.9° | 118.7° |
| C30 | C29 | C34 | H29 | 116.2° | 118.8° |
| C30 | C29 | N28 | H29 | 121.5° | 122.7° |
| C30 | C29 | N28 | C27 | 114.4° | 90.2° |
| C30 | C29 | N28 | H27 | 123.7° | 145.7° |
| C29 | C30 | H30 | H31 | 121.5° | 123.2° |
| C29 | C30 | C31 | H32 | 145.1° | 80.7° |
| C29 | C30 | C31 | H33 | 94.9° | 156.6° |
| C30 | C29 | C34 | H36 | 138.5° | 95.7° |
| C30 | C29 | C34 | H37 | 101.2° | 142.9° |
| C13 | N14 | C15 | H15 | 118.4° | 112.9° |
| N14 | C13 | C12 | H13 | 115.7° | 114.3° |
| N14 | C13 | C12 | H14 | 115.7° | 114.5° |
| C13 | N14 | C15 | C12 | 17.9° | 24.7° |
| N14 | C13 | C12 | N11 | 102.5° | 90.6° |
| N14 | C13 | C12 | H12 | 125.4° | 138.2° |
| N14 | C13 | H13 | H14 | 131.2° | 131.8° |
| C13 | N14 | C15 | H17 | 133.2° | 89.6° |
| C13 | N14 | C15 | H18 | 97.4° | 139.0° |
| N14 | C15 | C12 | H17 | 115.3° | 114.2° |
| N14 | C15 | C12 | H18 | 115.3° | 114.3° |
| N14 | C15 | C12 | N11 | 103.4° | 90.7° |
| N14 | C15 | C12 | H12 | 126.1° | 138.1° |
| C15 | N14 | C13 | H13 | 97.3° | 139.0° |
| C15 | N14 | C13 | H14 | 134.1° | 89.7° |
| N14 | C15 | H17 | H18 | 132.2° | 131.7° |
| C36 | C22 | C21 | C23 | 178.5° | 179.7° |
| C36 | C22 | C23 | S35 | 9.7° | 0.0° |
| C36 | C22 | C23 | C24 | 171.9° | 179.7° |
| C36 | C22 | C21 | H22 | 179.5° | 179.8° |
| C05 | C06 | C08 | C09 | 0.4° | 0.1° |
| C06 | C05 | C16 | C10 | 1.2° | 0.5° |
| C05 | C06 | C07 | H6 | 90.2° | 83.3° |
| C05 | C06 | C07 | H7 | 149.8° | 156.6° |
| C05 | C06 | C07 | H8 | 29.8° | 36.6° |
| C05 | C06 | C08 | H9 | 179.6° | 180.0° |
| C06 | C05 | C16 | H19 | 178.8° | 179.8° |
| C08 | C06 | C05 | C16 | 0.5° | 0.2° |
| C06 | C08 | C09 | H9 | 180.0° | 179.9° |
| C06 | C08 | C09 | C10 | 0.8° | 0.0° |
| C08 | C06 | C07 | H6 | 90.2° | 96.6° |
| C08 | C06 | C07 | H7 | 29.8° | 23.5° |
| C08 | C06 | C07 | H8 | 149.8° | 143.4° |
| C06 | C08 | C09 | H10 | 179.2° | 180.0° |
| C32 | C34 | C29 | H36 | 119.9° | 119.3° |
| C32 | C34 | C29 | H37 | 119.9° | 119.3° |
| C32 | C34 | C29 | N28 | 139.5° | 142.3° |
| C32 | C34 | C29 | H29 | 97.6° | 95.2° |
| C34 | C32 | C31 | H32 | 155.1° | 95.0° |
| C34 | C32 | C31 | H33 | 84.9° | 142.3° |
| C34 | C32 | O33 | H35 | 69.3° | 178.6° |
| C32 | C34 | H36 | H37 | 120.4° | 121.4° |
| C05 | C16 | C10 | H19 | 180.0° | 179.8° |
| C05 | C16 | C10 | C09 | 0.8° | 0.5° |
| C05 | C16 | C10 | N11 | 179.9° | 179.8° |
| C13 | C12 | N11 | C10 | 44.5° | 157.0° |
| C13 | C12 | C15 | N11 | 119.3° | 114.4° |
| C13 | C12 | C15 | H12 | 110.2° | 114.4° |
| C13 | C12 | N11 | H12 | 131.1° | 131.6° |
| C13 | C12 | N11 | H11 | 167.5° | 23.1° |
| C12 | C13 | H13 | H14 | 131.2° | 131.6° |
| C12 | C13 | N14 | H15 | 99.9° | 88.1° |
| C13 | C12 | C15 | H17 | 131.1° | 90.5° |
| C13 | C12 | C15 | H18 | 99.5° | 138.0° |
| C08 | C09 | C10 | C16 | 0.1° | 0.3° |
| C08 | C09 | C10 | H10 | 180.0° | 180.0° |
| C08 | C09 | C10 | N11 | 179.3° | 180.0° |
| C21 | C22 | C23 | S35 | 168.8° | 179.7° |
| C21 | C22 | C23 | C24 | 9.7° | 0.1° |
| C22 | C21 | C20 | H21 | 179.4° | 180.0° |
| C21 | C22 | C36 | H38 | 179.6° | 179.8° |
| C16 | C10 | C09 | N11 | 179.4° | 179.7° |
| C16 | C10 | N11 | C12 | 17.6° | 179.7° |
| C16 | C10 | C09 | H10 | 179.8° | 179.7° |
| C16 | C10 | N11 | H11 | 105.4° | 0.2° |
| C22 | C23 | S35 | C24 | 178.9° | 179.8° |
| C22 | C23 | S35 | C26 | 179.0° | 179.9° |
| C22 | C23 | C24 | C25 | 178.8° | 180.0° |
| C23 | C22 | C21 | H22 | 1.0° | 0.1° |
| C22 | C23 | C24 | H23 | 1.2° | 0.0° |
| C23 | C22 | C36 | H38 | 1.0° | 0.1° |
| C09 | C10 | N11 | C12 | 163.1° | 0.0° |
| C10 | C09 | C08 | H9 | 179.2° | 180.0° |
| C09 | C10 | N11 | H11 | 73.9° | 179.9° |
| C09 | C10 | C16 | H19 | 179.2° | 179.7° |
| C10 | N11 | C12 | C15 | 144.3° | 106.2° |
| C10 | N11 | C12 | H11 | 123.0° | 179.9° |
| N11 | C10 | C09 | H10 | 0.8° | 0.0° |
| C10 | N11 | C12 | H12 | 86.6° | 25.4° |
| N11 | C10 | C16 | H19 | 0.1° | 0.0° |
| C15 | C12 | N11 | H12 | 129.1° | 131.6° |
| C15 | C12 | N11 | H11 | 92.7° | 73.7° |
| C15 | C12 | C13 | H13 | 99.9° | 138.1° |
| C15 | C12 | C13 | H14 | 131.6° | 90.7° |
| C12 | C15 | N14 | H15 | 100.5° | 88.2° |
| C12 | C15 | H17 | H18 | 132.3° | 131.9° |
| C34 | C29 | N28 | H29 | 122.2° | 122.5° |
| C34 | C29 | N28 | C27 | 129.3° | 155.0° |
| C34 | C29 | N28 | H27 | 7.3° | 31.0° |
| C34 | C29 | C30 | H30 | 122.9° | 156.3° |
| C34 | C29 | C30 | H31 | 116.1° | 80.6° |
| C29 | C34 | C32 | H34 | 83.1° | 119.3° |
| C29 | C34 | H36 | H37 | 120.4° | 121.4° |
| C29 | N28 | C27 | H27 | 121.9° | 124.0° |
| C29 | N28 | C27 | C26 | 47.4° | 180.0° |
| C29 | N28 | C27 | H25 | 73.6° | 60.1° |
| C29 | N28 | C27 | H26 | 168.3° | 59.9° |
| N28 | C29 | C30 | H30 | 0.6° | 85.0° |
| N28 | C29 | C30 | H31 | 121.6° | 38.1° |
| N28 | C29 | C34 | H36 | 100.6° | 23.1° |
| N28 | C29 | C34 | H37 | 19.7° | 98.4° |
| N11 | C12 | C13 | H13 | 141.8° | 23.7° |
| N11 | C12 | C13 | H14 | 13.3° | 154.9° |
| N11 | C12 | C15 | H17 | 11.9° | 155.1° |
| N11 | C12 | C15 | H18 | 141.3° | 23.6° |
| S35 | C23 | C24 | C25 | 0.3° | 0.3° |
| C23 | S35 | C26 | C27 | 179.9° | 179.9° |
| C23 | S35 | C26 | C25 | 0.1° | 0.3° |
| S35 | C23 | C24 | H23 | 179.7° | 179.7° |
| C26 | S35 | C23 | C24 | 0.1° | 0.3° |
| S35 | C26 | C27 | N28 | 73.0° | 89.7° |
| S35 | C26 | C25 | C24 | 0.2° | 0.3° |
| S35 | C26 | C27 | C25 | 179.8° | 179.7° |
| S35 | C26 | C25 | H24 | 179.7° | 179.8° |
| S35 | C26 | C27 | H25 | 166.1° | 30.3° |
| S35 | C26 | C27 | H26 | 48.0° | 150.3° |
| C23 | C24 | C25 | H23 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.4° | 0.0° |
| C23 | C24 | C25 | H24 | 179.6° | 180.0° |
| N28 | C27 | C26 | H25 | 120.9° | 119.9° |
| N28 | C27 | C26 | H26 | 121.0° | 120.0° |
| N28 | C27 | C26 | C25 | 107.3° | 90.1° |
| N28 | C27 | H25 | H26 | 117.0° | 120.0° |
| C27 | N28 | C29 | H29 | 7.0° | 32.5° |
| C24 | C25 | C26 | C27 | 180.0° | 180.0° |
| C24 | C25 | C26 | H24 | 180.0° | 180.0° |
| C27 | C26 | C25 | H24 | 0.0° | 0.0° |
| C26 | C27 | H25 | H26 | 117.0° | 120.1° |
| C26 | C27 | N28 | H27 | 169.3° | 56.0° |
| C26 | C25 | C24 | H23 | 179.6° | 180.0° |
| C25 | C26 | C27 | H25 | 13.7° | 150.0° |
| C25 | C26 | C27 | H26 | 131.8° | 30.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H1 | C01 | C02 | H4 | 63.3° | 59.9° |
| H2 | C01 | C02 | H4 | 176.7° | 180.0° |
| H3 | C01 | C02 | H4 | 56.7° | 60.0° |
| H4 | C02 | N03 | H5 | 133.0° | 144.9° |
| H6 | C07 | H7 | H8 | 120.0° | 119.9° |
| H9 | C08 | C09 | H10 | 0.8° | 0.0° |
| H11 | N11 | C12 | H12 | 36.4° | 154.7° |
| H12 | C12 | C13 | H13 | 9.7° | 107.5° |
| H12 | C12 | C13 | H14 | 118.8° | 23.7° |
| H12 | C12 | C15 | H17 | 118.6° | 23.9° |
| H12 | C12 | C15 | H18 | 10.8° | 107.6° |
| H13 | C13 | N14 | H15 | 144.3° | 26.1° |
| H14 | C13 | N14 | H15 | 15.8° | 157.5° |
| H15 | N14 | C15 | H17 | 14.8° | 157.5° |
| H15 | N14 | C15 | H18 | 144.2° | 26.1° |
| H20 | C19 | C20 | H21 | 1.7° | 0.1° |
| H21 | C20 | C21 | H22 | 0.5° | 0.1° |
| H23 | C24 | C25 | H24 | 0.4° | 0.0° |
| H25 | C27 | N28 | H27 | 48.4° | 64.0° |
| H26 | C27 | N28 | H27 | 69.7° | 176.0° |
| H27 | N28 | C29 | H29 | 114.9° | 91.5° |
| H29 | C29 | C30 | H30 | 121.3° | 37.6° |
| H29 | C29 | C30 | H31 | 0.3° | 160.7° |
| H29 | C29 | C34 | H36 | 22.2° | 145.6° |
| H29 | C29 | C34 | H37 | 142.5° | 24.1° |
| H30 | C30 | C31 | H32 | 95.4° | 37.6° |
| H30 | C30 | C31 | H33 | 24.6° | 85.0° |
| H31 | C30 | C31 | H32 | 25.6° | 160.9° |
| H31 | C30 | C31 | H33 | 145.6° | 38.2° |
| H32 | C31 | C32 | H34 | 39.8° | 24.2° |
| H33 | C31 | C32 | H34 | 159.8° | 98.4° |
| H34 | C32 | O33 | H35 | 53.0° | 60.1° |
| H34 | C32 | C34 | H36 | 36.7° | 121.4° |
| H34 | C32 | C34 | H37 | 157.0° | 0.1° |
