2V5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.38Å | 1.42Å | Aromatic |
| C29 | C28 | doub | 1.38Å | 1.43Å | Aromatic |
| C32 | C27 | doub | 1.38Å | 1.34Å | Aromatic |
| C28 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C27 | S24 | sing | 1.76Å | 1.78Å | |
| O25 | S24 | doub | 1.42Å | 1.45Å | |
| S24 | C23 | sing | 1.76Å | 1.78Å | |
| S24 | O26 | doub | 1.42Å | 1.46Å | |
| C23 | C22 | doub | 1.31Å | 1.53Å | |
| O13 | N14 | sing | 1.42Å | 1.31Å | |
| O13 | C12 | sing | 1.43Å | 1.43Å | |
| N17 | C15 | doub | 1.30Å | 1.40Å | |
| C11 | C12 | sing | 1.53Å | 1.44Å | |
| C11 | C10 | sing | 1.53Å | 1.57Å | |
| N14 | C15 | sing | 1.38Å | 1.41Å | |
| C15 | N16 | sing | 1.37Å | 1.33Å | |
| C10 | C09 | sing | 1.53Å | 1.56Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| N20 | C21 | sing | 1.47Å | 1.44Å | |
| N20 | C18 | sing | 1.35Å | 1.36Å | |
| C09 | C18 | sing | 1.51Å | 1.53Å | |
| C09 | N08 | sing | 1.47Å | 1.44Å | |
| C33 | C21 | sing | 1.53Å | 1.56Å | |
| C33 | C34 | sing | 1.53Å | 1.58Å | |
| C18 | O19 | doub | 1.21Å | 1.27Å | |
| O07 | C06 | doub | 1.22Å | 1.22Å | |
| C37 | C36 | doub | 1.38Å | 1.49Å | Aromatic |
| C37 | C38 | sing | 1.38Å | 1.36Å | Aromatic |
| C36 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| N08 | C06 | sing | 1.35Å | 1.43Å | |
| C38 | C39 | doub | 1.38Å | 1.40Å | Aromatic |
| C06 | N05 | sing | 1.35Å | 1.35Å | |
| C35 | C34 | sing | 1.51Å | 1.54Å | |
| C35 | C40 | doub | 1.38Å | 1.42Å | Aromatic |
| C39 | C40 | sing | 1.38Å | 1.45Å | Aromatic |
| N05 | C04 | sing | 1.47Å | 1.45Å | |
| N05 | C41 | sing | 1.47Å | 1.39Å | |
| C04 | C03 | sing | 1.53Å | 1.47Å | |
| C41 | C42 | sing | 1.53Å | 1.50Å | |
| C03 | N02 | sing | 1.47Å | 1.45Å | |
| C42 | N02 | sing | 1.47Å | 1.47Å | |
| N02 | C01 | sing | 1.47Å | 1.49Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| C11 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C12 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H11 | sing | 1.09Å | 1.10Å | |
| C03 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.09Å | 1.10Å | |
| C04 | H14 | sing | 1.09Å | 1.10Å | |
| N08 | H15 | sing | 0.97Å | 1.00Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| N14 | H17 | sing | 0.97Å | 1.00Å | |
| N16 | H18 | sing | 0.97Å | 1.00Å | |
| N16 | H19 | sing | 0.97Å | 1.00Å | |
| N17 | H20 | sing | 0.97Å | 1.00Å | |
| N20 | H21 | sing | 0.97Å | 1.00Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.08Å | 1.08Å | |
| C23 | H25 | sing | 1.08Å | 1.08Å | |
| C28 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H29 | sing | 1.08Å | 1.08Å | |
| C31 | H30 | sing | 1.08Å | 1.08Å | |
| C32 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H35 | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H38 | sing | 1.08Å | 1.08Å | |
| C39 | H39 | sing | 1.08Å | 1.08Å | |
| C40 | H40 | sing | 1.08Å | 1.08Å | |
| C41 | H41 | sing | 1.09Å | 1.10Å | |
| C41 | H42 | sing | 1.09Å | 1.10Å | |
| C42 | H43 | sing | 1.09Å | 1.10Å | |
| C42 | H44 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C30 | C29 | 123.1° | 119.9° |
| C30 | C31 | C32 | 116.8° | 120.0° |
| C31 | C30 | H29 | 118.4° | 120.0° |
| C30 | C31 | H30 | 121.6° | 120.0° |
| C30 | C29 | C28 | 117.7° | 120.0° |
| C30 | C29 | H28 | 121.2° | 120.0° |
| C29 | C30 | H29 | 118.5° | 120.0° |
| C31 | C32 | C27 | 121.4° | 120.0° |
| C32 | C31 | H30 | 121.6° | 120.0° |
| C31 | C32 | H31 | 119.3° | 120.0° |
| C29 | C28 | C27 | 118.6° | 120.0° |
| C29 | C28 | H27 | 120.7° | 120.0° |
| C28 | C29 | H28 | 121.2° | 120.0° |
| C32 | C27 | C28 | 122.3° | 120.0° |
| C32 | C27 | S24 | 122.0° | 120.0° |
| C27 | C32 | H31 | 119.3° | 120.0° |
| C28 | C27 | S24 | 115.7° | 120.0° |
| C27 | C28 | H27 | 120.7° | 119.9° |
| C27 | S24 | O25 | 111.2° | 106.4° |
| C27 | S24 | C23 | 103.4° | 107.2° |
| C27 | S24 | O26 | 108.6° | 106.4° |
| O25 | S24 | C23 | 108.5° | 106.4° |
| O25 | S24 | O26 | 115.7° | 123.1° |
| C23 | S24 | O26 | 108.7° | 106.4° |
| S24 | C23 | C22 | 110.8° | 120.0° |
| S24 | C23 | H25 | 124.6° | 120.0° |
| C23 | C22 | C21 | 115.1° | 120.0° |
| C23 | C22 | H23 | 122.4° | 120.0° |
| C22 | C23 | H25 | 124.6° | 120.0° |
| N14 | O13 | C12 | 113.4° | 114.0° |
| O13 | N14 | C15 | 119.0° | 120.0° |
| O13 | N14 | H17 | 120.6° | 120.0° |
| O13 | C12 | C11 | 106.3° | 109.5° |
| O13 | C12 | H5 | 110.2° | 109.5° |
| O13 | C12 | H6 | 110.3° | 109.5° |
| N17 | C15 | N14 | 113.5° | 120.0° |
| N17 | C15 | N16 | 124.2° | 120.0° |
| C15 | N17 | H20 | 112.0° | 120.0° |
| C12 | C11 | C10 | 112.1° | 109.5° |
| C12 | C11 | H3 | 108.8° | 109.5° |
| C12 | C11 | H4 | 108.8° | 109.5° |
| C11 | C12 | H5 | 110.3° | 109.5° |
| C11 | C12 | H6 | 110.2° | 109.5° |
| C11 | C10 | C09 | 113.5° | 109.5° |
| C11 | C10 | H1 | 108.5° | 109.5° |
| C11 | C10 | H2 | 108.4° | 109.4° |
| C10 | C11 | H3 | 108.8° | 109.5° |
| C10 | C11 | H4 | 108.8° | 109.4° |
| N14 | C15 | N16 | 122.2° | 120.0° |
| C15 | N14 | H17 | 120.5° | 119.9° |
| C15 | N16 | H18 | 120.0° | 120.0° |
| C15 | N16 | H19 | 120.0° | 120.0° |
| C10 | C09 | C18 | 109.0° | 109.5° |
| C10 | C09 | N08 | 113.6° | 109.4° |
| C09 | C10 | H1 | 108.4° | 109.5° |
| C09 | C10 | H2 | 108.5° | 109.5° |
| C10 | C09 | H16 | 107.2° | 109.5° |
| C22 | C21 | N20 | 111.4° | 109.5° |
| C22 | C21 | C33 | 110.6° | 109.5° |
| C22 | C21 | H22 | 108.0° | 109.5° |
| C21 | C22 | H23 | 122.5° | 120.0° |
| C21 | N20 | C18 | 122.9° | 120.0° |
| N20 | C21 | C33 | 110.4° | 109.5° |
| C21 | N20 | H21 | 118.5° | 120.0° |
| N20 | C21 | H22 | 108.9° | 109.5° |
| N20 | C18 | C09 | 119.5° | 120.0° |
| N20 | C18 | O19 | 120.4° | 120.0° |
| C18 | N20 | H21 | 118.6° | 120.0° |
| C18 | C09 | N08 | 110.6° | 109.4° |
| C09 | C18 | O19 | 120.1° | 120.0° |
| C18 | C09 | H16 | 107.6° | 109.5° |
| C09 | N08 | C06 | 113.0° | 120.0° |
| C09 | N08 | H15 | 123.5° | 120.0° |
| N08 | C09 | H16 | 108.7° | 109.5° |
| C21 | C33 | C34 | 107.9° | 109.5° |
| C33 | C21 | H22 | 107.4° | 109.5° |
| C21 | C33 | H32 | 109.9° | 109.5° |
| C21 | C33 | H33 | 109.8° | 109.5° |
| C33 | C34 | C35 | 113.0° | 109.5° |
| C34 | C33 | H32 | 109.9° | 109.4° |
| C34 | C33 | H33 | 109.8° | 109.5° |
| C33 | C34 | H34 | 108.6° | 109.5° |
| C33 | C34 | H35 | 108.6° | 109.5° |
| O07 | C06 | N08 | 122.3° | 120.0° |
| O07 | C06 | N05 | 121.2° | 120.0° |
| C36 | C37 | C38 | 120.2° | 120.0° |
| C37 | C36 | C35 | 114.7° | 120.0° |
| C37 | C36 | H36 | 122.7° | 120.0° |
| C36 | C37 | H37 | 119.9° | 120.0° |
| C37 | C38 | C39 | 126.4° | 120.0° |
| C38 | C37 | H37 | 119.9° | 120.0° |
| C37 | C38 | H38 | 116.8° | 120.0° |
| C36 | C35 | C34 | 117.5° | 120.0° |
| C36 | C35 | C40 | 123.1° | 120.0° |
| C35 | C36 | H36 | 122.7° | 120.0° |
| N08 | C06 | N05 | 116.3° | 120.0° |
| C06 | N08 | H15 | 123.5° | 120.0° |
| C38 | C39 | C40 | 113.9° | 120.0° |
| C39 | C38 | H38 | 116.8° | 120.0° |
| C38 | C39 | H39 | 123.0° | 120.0° |
| C06 | N05 | C04 | 119.5° | 120.9° |
| C06 | N05 | C41 | 120.4° | 120.9° |
| C34 | C35 | C40 | 119.4° | 120.0° |
| C35 | C34 | H34 | 108.6° | 109.4° |
| C35 | C34 | H35 | 108.6° | 109.5° |
| C35 | C40 | C39 | 121.5° | 120.0° |
| C35 | C40 | H40 | 119.2° | 120.0° |
| C40 | C39 | H39 | 123.1° | 120.0° |
| C39 | C40 | H40 | 119.3° | 120.0° |
| C04 | N05 | C41 | 118.7° | 118.2° |
| N05 | C04 | C03 | 117.1° | 108.5° |
| N05 | C04 | H13 | 107.5° | 109.6° |
| N05 | C04 | H14 | 107.5° | 109.9° |
| N05 | C41 | C42 | 106.6° | 108.5° |
| N05 | C41 | H41 | 110.2° | 109.6° |
| N05 | C41 | H42 | 110.2° | 109.7° |
| C04 | C03 | N02 | 112.0° | 109.3° |
| C04 | C03 | H11 | 108.8° | 109.5° |
| C04 | C03 | H12 | 108.8° | 109.5° |
| C03 | C04 | H13 | 107.5° | 109.6° |
| C03 | C04 | H14 | 107.5° | 109.7° |
| C41 | C42 | N02 | 115.4° | 109.3° |
| C42 | C41 | H41 | 110.2° | 109.6° |
| C42 | C41 | H42 | 110.2° | 109.6° |
| C41 | C42 | H43 | 108.0° | 109.5° |
| C41 | C42 | H44 | 108.0° | 109.5° |
| C03 | N02 | C42 | 115.8° | 111.3° |
| C03 | N02 | C01 | 121.8° | 111.0° |
| N02 | C03 | H11 | 108.8° | 109.5° |
| N02 | C03 | H12 | 108.8° | 109.4° |
| C42 | N02 | C01 | 118.2° | 110.9° |
| N02 | C42 | H43 | 108.0° | 109.5° |
| N02 | C42 | H44 | 108.0° | 109.5° |
| N02 | C01 | H7 | 109.5° | 109.5° |
| N02 | C01 | H8 | 109.5° | 109.5° |
| N02 | C01 | H9 | 109.5° | 109.5° |
| H1 | C10 | H2 | 109.5° | 109.5° |
| H3 | C11 | H4 | 109.5° | 109.4° |
| H5 | C12 | H6 | 109.5° | 109.5° |
| H7 | C01 | H8 | 109.5° | 109.5° |
| H7 | C01 | H9 | 109.4° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.4° |
| H11 | C03 | H12 | 109.5° | 109.5° |
| H13 | C04 | H14 | 109.5° | 109.6° |
| H18 | N16 | H19 | 120.0° | 120.0° |
| H32 | C33 | H33 | 109.5° | 109.5° |
| H34 | C34 | H35 | 109.4° | 109.4° |
| H41 | C41 | H42 | 109.5° | 109.8° |
| H43 | C42 | H44 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C30 | C29 | H29 | 180.0° | 179.7° |
| C30 | C31 | C32 | H30 | 180.0° | 179.8° |
| C31 | C30 | C29 | C28 | 1.6° | 0.0° |
| C30 | C31 | C32 | C27 | 4.0° | 0.6° |
| C31 | C30 | C29 | H28 | 178.3° | 180.0° |
| C30 | C31 | C32 | H31 | 176.0° | 180.0° |
| C29 | C30 | C31 | C32 | 2.0° | 0.3° |
| C30 | C29 | C28 | H28 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 3.4° | 0.0° |
| C30 | C29 | C28 | H27 | 176.6° | 180.0° |
| C29 | C30 | C31 | H30 | 178.0° | 180.0° |
| C31 | C32 | C27 | H31 | 180.0° | 179.4° |
| C31 | C32 | C27 | C28 | 2.2° | 0.6° |
| C31 | C32 | C27 | S24 | 179.9° | 179.7° |
| C32 | C31 | C30 | H29 | 178.0° | 180.0° |
| C29 | C28 | C27 | C32 | 1.6° | 0.3° |
| C29 | C28 | C27 | H27 | 180.0° | 179.9° |
| C29 | C28 | C27 | S24 | 176.2° | 180.0° |
| C28 | C29 | C30 | H29 | 178.4° | 179.7° |
| C32 | C27 | C28 | S24 | 177.8° | 179.7° |
| C32 | C27 | S24 | O25 | 77.2° | 156.2° |
| C32 | C27 | S24 | C23 | 39.0° | 90.3° |
| C32 | C27 | S24 | O26 | 154.3° | 23.2° |
| C32 | C27 | C28 | H27 | 178.4° | 179.7° |
| C27 | C32 | C31 | H30 | 176.0° | 179.7° |
| C28 | C27 | S24 | O25 | 100.6° | 23.5° |
| C28 | C27 | S24 | C23 | 143.2° | 90.0° |
| C28 | C27 | S24 | O26 | 27.9° | 156.4° |
| C27 | C28 | C29 | H28 | 176.6° | 180.0° |
| C28 | C27 | C32 | H31 | 177.8° | 180.0° |
| C27 | S24 | O25 | C23 | 113.1° | 114.1° |
| C27 | S24 | O25 | O26 | 124.5° | 123.0° |
| C27 | S24 | C23 | O26 | 115.2° | 113.5° |
| C27 | S24 | C23 | C22 | 162.8° | 115.0° |
| C27 | S24 | C23 | H25 | 17.2° | 65.1° |
| S24 | C27 | C28 | H27 | 3.8° | 0.0° |
| S24 | C27 | C32 | H31 | 0.1° | 0.3° |
| O25 | S24 | C23 | O26 | 126.6° | 132.9° |
| O25 | S24 | C23 | C22 | 79.0° | 131.4° |
| O25 | S24 | C23 | H25 | 101.0° | 48.5° |
| S24 | C23 | C22 | H25 | 180.0° | 179.9° |
| S24 | C23 | C22 | C21 | 118.1° | 180.0° |
| S24 | C23 | C22 | H23 | 61.8° | 0.0° |
| O26 | S24 | C23 | C22 | 47.6° | 1.5° |
| O26 | S24 | C23 | H25 | 132.4° | 178.6° |
| C23 | C22 | C21 | H23 | 180.0° | 180.0° |
| C23 | C22 | C21 | N20 | 61.9° | 120.0° |
| C23 | C22 | C21 | C33 | 61.2° | 120.0° |
| C23 | C22 | C21 | H22 | 178.5° | 0.0° |
| O13 | N14 | C15 | N17 | 2.2° | 0.1° |
| N14 | O13 | C12 | C11 | 172.3° | 180.0° |
| O13 | N14 | C15 | H17 | 180.0° | 179.9° |
| O13 | N14 | C15 | N16 | 175.4° | 180.0° |
| N14 | O13 | C12 | H5 | 52.8° | 60.0° |
| N14 | O13 | C12 | H6 | 68.2° | 60.0° |
| O13 | C12 | C11 | H5 | 119.5° | 120.0° |
| O13 | C12 | C11 | H6 | 119.5° | 120.0° |
| O13 | C12 | C11 | C10 | 177.9° | 180.0° |
| C12 | O13 | N14 | C15 | 105.0° | 180.0° |
| O13 | C12 | C11 | H3 | 57.5° | 60.0° |
| O13 | C12 | C11 | H4 | 61.7° | 60.0° |
| O13 | C12 | H5 | H6 | 121.5° | 120.0° |
| C12 | O13 | N14 | H17 | 75.0° | 0.1° |
| N17 | C15 | N14 | N16 | 177.6° | 179.9° |
| N17 | C15 | N14 | H17 | 177.8° | 180.0° |
| N17 | C15 | N16 | H18 | 177.3° | 180.0° |
| N17 | C15 | N16 | H19 | 2.7° | 0.0° |
| C12 | C11 | C10 | H3 | 120.4° | 120.1° |
| C12 | C11 | C10 | H4 | 120.4° | 120.0° |
| C12 | C11 | C10 | C09 | 87.8° | 180.0° |
| C12 | C11 | C10 | H1 | 151.6° | 60.0° |
| C12 | C11 | C10 | H2 | 32.8° | 60.0° |
| C12 | C11 | H3 | H4 | 118.8° | 120.0° |
| C11 | C12 | H5 | H6 | 121.4° | 120.0° |
| C11 | C10 | C09 | H1 | 120.6° | 120.0° |
| C11 | C10 | C09 | H2 | 120.6° | 120.0° |
| C11 | C10 | C09 | C18 | 165.6° | 175.0° |
| C11 | C10 | C09 | N08 | 70.6° | 65.0° |
| C11 | C10 | H1 | H2 | 118.1° | 120.0° |
| C10 | C11 | H3 | H4 | 118.8° | 119.9° |
| C10 | C11 | C12 | H5 | 62.6° | 60.0° |
| C10 | C11 | C12 | H6 | 58.4° | 60.0° |
| C11 | C10 | C09 | H16 | 49.4° | 55.0° |
| N14 | C15 | N16 | H18 | 0.0° | 0.0° |
| N14 | C15 | N16 | H19 | 180.0° | 180.0° |
| N14 | C15 | N17 | H20 | 177.6° | 180.0° |
| N16 | C15 | N14 | H17 | 4.6° | 0.1° |
| C15 | N16 | H18 | H19 | 180.0° | 180.0° |
| N16 | C15 | N17 | H20 | 0.0° | 0.1° |
| C10 | C09 | C18 | N20 | 99.5° | 80.0° |
| C10 | C09 | C18 | N08 | 125.5° | 120.0° |
| C10 | C09 | C18 | H16 | 115.9° | 120.1° |
| C10 | C09 | N08 | H16 | 119.2° | 120.0° |
| C10 | C09 | C18 | O19 | 79.5° | 99.9° |
| C10 | C09 | N08 | C06 | 174.0° | 60.0° |
| C09 | C10 | H1 | H2 | 118.2° | 120.0° |
| C09 | C10 | C11 | H3 | 32.6° | 59.9° |
| C09 | C10 | C11 | H4 | 151.8° | 60.0° |
| C10 | C09 | N08 | H15 | 6.0° | 120.1° |
| C22 | C21 | N20 | C33 | 123.3° | 120.0° |
| C22 | C21 | N20 | H22 | 119.0° | 120.0° |
| C22 | C21 | N20 | C18 | 114.9° | 155.0° |
| C22 | C21 | C33 | H22 | 117.6° | 120.0° |
| C22 | C21 | C33 | C34 | 166.1° | 175.0° |
| C22 | C21 | N20 | H21 | 65.1° | 25.0° |
| C21 | C22 | C23 | H25 | 61.9° | 0.1° |
| C22 | C21 | C33 | H32 | 74.1° | 65.0° |
| C22 | C21 | C33 | H33 | 46.3° | 55.0° |
| C21 | N20 | C18 | H21 | 180.0° | 180.0° |
| C21 | N20 | C18 | C09 | 179.5° | 180.0° |
| N20 | C21 | C33 | H22 | 118.6° | 120.0° |
| N20 | C21 | C33 | C34 | 70.2° | 65.0° |
| C21 | N20 | C18 | O19 | 0.6° | 0.0° |
| N20 | C21 | C22 | H23 | 118.1° | 60.0° |
| N20 | C21 | C33 | H32 | 49.6° | 55.0° |
| N20 | C21 | C33 | H33 | 170.1° | 175.0° |
| N20 | C18 | C09 | O19 | 179.0° | 179.9° |
| N20 | C18 | C09 | N08 | 135.0° | 160.0° |
| C18 | N20 | C21 | C33 | 121.8° | 85.0° |
| N20 | C18 | C09 | H16 | 16.4° | 40.0° |
| C18 | N20 | C21 | H22 | 4.1° | 35.0° |
| C18 | C09 | N08 | H16 | 117.9° | 120.0° |
| C18 | C09 | N08 | C06 | 63.1° | 60.0° |
| C18 | C09 | C10 | H1 | 45.0° | 55.0° |
| C18 | C09 | C10 | H2 | 73.9° | 65.0° |
| C18 | C09 | N08 | H15 | 116.9° | 120.0° |
| C09 | C18 | N20 | H21 | 0.4° | 0.0° |
| N08 | C09 | C18 | O19 | 46.1° | 20.0° |
| C09 | N08 | C06 | O07 | 3.0° | 5.3° |
| C09 | N08 | C06 | H15 | 180.0° | 179.9° |
| C09 | N08 | C06 | N05 | 171.1° | 174.7° |
| N08 | C09 | C10 | H1 | 168.8° | 175.0° |
| N08 | C09 | C10 | H2 | 50.0° | 55.0° |
| C21 | C33 | C34 | H32 | 119.8° | 120.0° |
| C21 | C33 | C34 | H33 | 119.7° | 120.0° |
| C21 | C33 | C34 | C35 | 177.6° | 180.0° |
| C33 | C21 | N20 | H21 | 58.2° | 95.0° |
| C33 | C21 | C22 | H23 | 118.7° | 60.0° |
| C21 | C33 | H32 | H33 | 120.7° | 120.0° |
| C21 | C33 | C34 | H34 | 61.9° | 60.0° |
| C21 | C33 | C34 | H35 | 57.1° | 60.0° |
| C33 | C34 | C35 | C36 | 113.6° | 89.7° |
| C33 | C34 | C35 | H34 | 120.5° | 120.0° |
| C33 | C34 | C35 | H35 | 120.5° | 120.0° |
| C33 | C34 | C35 | C40 | 68.5° | 90.0° |
| C34 | C33 | C21 | H22 | 48.5° | 55.0° |
| C34 | C33 | H32 | H33 | 120.7° | 120.0° |
| C33 | C34 | H34 | H35 | 118.4° | 120.0° |
| O19 | C18 | C09 | H16 | 164.6° | 140.0° |
| O19 | C18 | N20 | H21 | 179.4° | 180.0° |
| O07 | C06 | N08 | N05 | 174.0° | 179.9° |
| O07 | C06 | N05 | C04 | 5.7° | 174.9° |
| O07 | C06 | N05 | C41 | 172.2° | 5.0° |
| O07 | C06 | N08 | H15 | 177.0° | 174.7° |
| C36 | C37 | C38 | H37 | 180.0° | 180.0° |
| C37 | C36 | C35 | H36 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 4.8° | 0.0° |
| C37 | C36 | C35 | C34 | 179.0° | 180.0° |
| C37 | C36 | C35 | C40 | 3.1° | 0.3° |
| C36 | C37 | C38 | H38 | 175.2° | 180.0° |
| C38 | C37 | C36 | C35 | 0.7° | 0.0° |
| C37 | C38 | C39 | H38 | 180.0° | 180.0° |
| C37 | C38 | C39 | C40 | 4.5° | 0.2° |
| C38 | C37 | C36 | H36 | 179.3° | 180.0° |
| C37 | C38 | C39 | H39 | 175.5° | 180.0° |
| C36 | C35 | C34 | C40 | 177.9° | 179.7° |
| C36 | C35 | C40 | C39 | 3.3° | 0.5° |
| C36 | C35 | C34 | H34 | 125.9° | 150.2° |
| C36 | C35 | C34 | H35 | 7.0° | 30.3° |
| C35 | C36 | C37 | H37 | 179.3° | 180.0° |
| C36 | C35 | C40 | H40 | 176.7° | 179.7° |
| N08 | C06 | N05 | C04 | 179.8° | 5.0° |
| N08 | C06 | N05 | C41 | 13.7° | 175.1° |
| C06 | N08 | C09 | H16 | 54.8° | 180.0° |
| C38 | C39 | C40 | C35 | 0.4° | 0.5° |
| C38 | C39 | C40 | H39 | 180.0° | 179.8° |
| C39 | C38 | C37 | H37 | 175.2° | 180.0° |
| C38 | C39 | C40 | H40 | 179.6° | 179.8° |
| C06 | N05 | C04 | C41 | 166.7° | 179.9° |
| C06 | N05 | C04 | C03 | 165.3° | 128.8° |
| C06 | N05 | C41 | C42 | 147.9° | 128.8° |
| C06 | N05 | C04 | H13 | 44.2° | 9.1° |
| C06 | N05 | C04 | H14 | 73.6° | 111.3° |
| N05 | C06 | N08 | H15 | 9.0° | 5.2° |
| C06 | N05 | C41 | H41 | 28.3° | 9.1° |
| C06 | N05 | C41 | H42 | 92.6° | 111.4° |
| C34 | C35 | C40 | C39 | 178.9° | 179.7° |
| C35 | C34 | C33 | H32 | 57.8° | 60.0° |
| C35 | C34 | C33 | H33 | 62.7° | 60.0° |
| C35 | C34 | H34 | H35 | 118.4° | 120.0° |
| C34 | C35 | C36 | H36 | 1.0° | 0.0° |
| C34 | C35 | C40 | H40 | 1.1° | 0.0° |
| C35 | C40 | C39 | H40 | 180.0° | 179.7° |
| C40 | C35 | C34 | H34 | 52.1° | 30.0° |
| C40 | C35 | C34 | H35 | 171.0° | 150.0° |
| C40 | C35 | C36 | H36 | 176.9° | 179.8° |
| C35 | C40 | C39 | H39 | 179.5° | 179.7° |
| C40 | C39 | C38 | H38 | 175.5° | 179.8° |
| N05 | C04 | C03 | H13 | 121.1° | 119.7° |
| N05 | C04 | C03 | H14 | 121.1° | 120.0° |
| C04 | N05 | C41 | C42 | 45.5° | 51.2° |
| N05 | C04 | C03 | N02 | 40.7° | 53.9° |
| N05 | C04 | C03 | H11 | 79.7° | 66.1° |
| N05 | C04 | C03 | H12 | 161.1° | 173.8° |
| N05 | C04 | H13 | H14 | 116.5° | 120.6° |
| C04 | N05 | C41 | H41 | 165.0° | 170.9° |
| C04 | N05 | C41 | H42 | 74.1° | 68.5° |
| C41 | N05 | C04 | C03 | 1.4° | 51.2° |
| N05 | C41 | C42 | H41 | 119.5° | 119.7° |
| N05 | C41 | C42 | H42 | 119.5° | 119.7° |
| N05 | C41 | C42 | N02 | 56.8° | 53.9° |
| C41 | N05 | C04 | H13 | 122.5° | 170.9° |
| C41 | N05 | C04 | H14 | 119.7° | 68.6° |
| N05 | C41 | H41 | H42 | 121.3° | 120.5° |
| N05 | C41 | C42 | H43 | 64.1° | 173.8° |
| N05 | C41 | C42 | H44 | 177.6° | 66.1° |
| C04 | C03 | N02 | H11 | 120.4° | 120.0° |
| C04 | C03 | N02 | H12 | 120.4° | 119.9° |
| C04 | C03 | N02 | C42 | 28.4° | 63.2° |
| C04 | C03 | N02 | C01 | 128.4° | 172.8° |
| C04 | C03 | H11 | H12 | 118.9° | 120.1° |
| C03 | C04 | H13 | H14 | 116.5° | 120.4° |
| C41 | C42 | N02 | C03 | 19.5° | 63.1° |
| C41 | C42 | N02 | H43 | 120.9° | 119.9° |
| C41 | C42 | N02 | H44 | 120.9° | 120.0° |
| C41 | C42 | N02 | C01 | 177.3° | 172.7° |
| C42 | C41 | H41 | H42 | 121.4° | 120.5° |
| C41 | C42 | H43 | H44 | 117.3° | 120.1° |
| C03 | N02 | C42 | C01 | 157.7° | 124.1° |
| C03 | N02 | C01 | H7 | 180.0° | 59.9° |
| C03 | N02 | C01 | H8 | 60.0° | 180.0° |
| C03 | N02 | C01 | H9 | 60.0° | 60.1° |
| N02 | C03 | H11 | H12 | 118.8° | 120.0° |
| N02 | C03 | C04 | H13 | 161.8° | 173.6° |
| N02 | C03 | C04 | H14 | 80.4° | 66.1° |
| C03 | N02 | C42 | H43 | 101.3° | 176.9° |
| C03 | N02 | C42 | H44 | 140.4° | 56.8° |
| C42 | N02 | C01 | H7 | 23.7° | 64.3° |
| C42 | N02 | C01 | H8 | 143.7° | 55.7° |
| C42 | N02 | C01 | H9 | 96.3° | 175.7° |
| C42 | N02 | C03 | H11 | 92.0° | 56.8° |
| C42 | N02 | C03 | H12 | 148.8° | 176.9° |
| N02 | C42 | C41 | H41 | 176.3° | 173.5° |
| N02 | C42 | C41 | H42 | 62.7° | 65.9° |
| N02 | C42 | H43 | H44 | 117.3° | 120.1° |
| N02 | C01 | H7 | H8 | 120.0° | 120.1° |
| N02 | C01 | H7 | H9 | 120.0° | 120.0° |
| N02 | C01 | H8 | H9 | 120.0° | 120.0° |
| C01 | N02 | C03 | H11 | 111.2° | 67.2° |
| C01 | N02 | C03 | H12 | 8.1° | 52.8° |
| C01 | N02 | C42 | H43 | 56.4° | 52.8° |
| C01 | N02 | C42 | H44 | 61.9° | 67.3° |
| H1 | C10 | C11 | H3 | 88.0° | 60.1° |
| H1 | C10 | C11 | H4 | 31.2° | 180.0° |
| H1 | C10 | C09 | H16 | 71.2° | 65.0° |
| H2 | C10 | C11 | H3 | 153.2° | 180.0° |
| H2 | C10 | C11 | H4 | 87.6° | 60.1° |
| H2 | C10 | C09 | H16 | 170.0° | 175.0° |
| H3 | C11 | C12 | H5 | 177.0° | 180.0° |
| H3 | C11 | C12 | H6 | 62.0° | 60.0° |
| H4 | C11 | C12 | H5 | 57.8° | 60.0° |
| H4 | C11 | C12 | H6 | 178.8° | 180.0° |
| H7 | C01 | H8 | H9 | 120.0° | 120.0° |
| H11 | C03 | C04 | H13 | 41.4° | 53.6° |
| H11 | C03 | C04 | H14 | 159.2° | 173.9° |
| H12 | C03 | C04 | H13 | 77.8° | 66.5° |
| H12 | C03 | C04 | H14 | 40.0° | 53.8° |
| H15 | N08 | C09 | H16 | 125.2° | 0.1° |
| H21 | N20 | C21 | H22 | 175.9° | 145.0° |
| H22 | C21 | C22 | H23 | 1.5° | 180.0° |
| H22 | C21 | C33 | H32 | 168.2° | 175.0° |
| H22 | C21 | C33 | H33 | 71.3° | 65.0° |
| H23 | C22 | C23 | H25 | 118.2° | 179.9° |
| H27 | C28 | C29 | H28 | 3.4° | 0.0° |
| H28 | C29 | C30 | H29 | 1.6° | 0.3° |
| H29 | C30 | C31 | H30 | 2.0° | 0.2° |
| H30 | C31 | C32 | H31 | 4.0° | 0.2° |
| H32 | C33 | C34 | H34 | 178.3° | 180.0° |
| H32 | C33 | C34 | H35 | 62.7° | 60.0° |
| H33 | C33 | C34 | H34 | 57.9° | 60.0° |
| H33 | C33 | C34 | H35 | 176.8° | 180.0° |
| H36 | C36 | C37 | H37 | 0.7° | 0.0° |
| H37 | C37 | C38 | H38 | 4.8° | 0.0° |
| H38 | C38 | C39 | H39 | 4.6° | 0.0° |
| H39 | C39 | C40 | H40 | 0.5° | 0.0° |
| H41 | C41 | C42 | H43 | 55.5° | 66.5° |
| H41 | C41 | C42 | H44 | 62.8° | 53.6° |
| H42 | C41 | C42 | H43 | 176.4° | 54.1° |
| H42 | C41 | C42 | H44 | 58.1° | 174.2° |
