E12
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.34Å | 1.39Å | Aromatic |
| C1 | O7 | doub | 1.22Å | 1.25Å | |
| C1 | C6 | sing | 1.41Å | 1.51Å | Aromatic |
| N2 | C3 | sing | 1.37Å | 1.37Å | Aromatic |
| N2 | H2 | sing | 0.97Å | 1.02Å | |
| C4 | C5 | sing | 1.41Å | 1.49Å | Aromatic |
| C4 | C10 | sing | 1.51Å | 1.54Å | |
| C4 | C3 | doub | 1.35Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.36Å | 1.38Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C14 | C9 | sing | 1.53Å | 1.54Å | |
| C14 | C13 | sing | 1.53Å | 1.56Å | |
| C14 | H141 | sing | 1.09Å | 1.11Å | |
| C14 | H142 | sing | 1.09Å | 1.12Å | |
| N17 | C24 | sing | 1.47Å | 1.54Å | |
| N17 | C10 | sing | 1.47Å | 1.51Å | |
| N17 | H17 | sing | 1.01Å | 1.02Å | |
| C24 | C63 | sing | 1.53Å | 1.54Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C9 | C3 | sing | 1.51Å | 1.53Å | |
| C9 | H9C1 | sing | 1.09Å | 1.12Å | |
| C9 | H9C2 | sing | 1.09Å | 1.11Å | |
| C10 | C13 | sing | 1.53Å | 1.55Å | |
| C10 | H10 | sing | 1.09Å | 1.11Å | |
| C13 | H131 | sing | 1.09Å | 1.11Å | |
| C13 | H132 | sing | 1.09Å | 1.12Å | |
| C63 | C64 | sing | 1.53Å | 1.51Å | |
| C63 | H631 | sing | 1.09Å | 1.11Å | |
| C63 | H632 | sing | 1.09Å | 1.11Å | |
| C29 | N30 | sing | 1.34Å | 1.39Å | Aromatic |
| C29 | C34 | sing | 1.41Å | 1.52Å | Aromatic |
| C29 | O35 | doub | 1.22Å | 1.24Å | |
| N30 | C31 | sing | 1.37Å | 1.36Å | Aromatic |
| N30 | H30 | sing | 0.97Å | 1.02Å | |
| C31 | C32 | doub | 1.35Å | 1.39Å | Aromatic |
| C31 | C36 | sing | 1.51Å | 1.54Å | |
| C32 | C33 | sing | 1.41Å | 1.48Å | Aromatic |
| C32 | C37 | sing | 1.51Å | 1.53Å | |
| C33 | C34 | doub | 1.36Å | 1.36Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C36 | C39 | sing | 1.53Å | 1.54Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C36 | H362 | sing | 1.09Å | 1.12Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C37 | N40 | sing | 1.47Å | 1.52Å | |
| C37 | H37 | sing | 1.09Å | 1.12Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C38 | H381 | sing | 1.09Å | 1.11Å | |
| C38 | H382 | sing | 1.09Å | 1.11Å | |
| C39 | H391 | sing | 1.09Å | 1.11Å | |
| C39 | H392 | sing | 1.09Å | 1.11Å | |
| N40 | C41 | sing | 1.47Å | 1.48Å | |
| N40 | H40 | sing | 1.01Å | 1.02Å | |
| C41 | C72 | sing | 1.53Å | 1.53Å | |
| C41 | H411 | sing | 1.09Å | 1.11Å | |
| C41 | H412 | sing | 1.09Å | 1.11Å | |
| C64 | C65 | sing | 1.53Å | 1.52Å | |
| C64 | H641 | sing | 1.09Å | 1.12Å | |
| C64 | H642 | sing | 1.09Å | 1.12Å | |
| C65 | C66 | sing | 1.53Å | 1.51Å | |
| C65 | H651 | sing | 1.09Å | 1.11Å | |
| C65 | H652 | sing | 1.09Å | 1.11Å | |
| C66 | C67 | sing | 1.53Å | 1.51Å | |
| C66 | H661 | sing | 1.09Å | 1.12Å | |
| C66 | H662 | sing | 1.09Å | 1.11Å | |
| C67 | C68 | sing | 1.53Å | 1.51Å | |
| C67 | H671 | sing | 1.09Å | 1.11Å | |
| C67 | H672 | sing | 1.09Å | 1.11Å | |
| C68 | C69 | sing | 1.53Å | 1.52Å | |
| C68 | H681 | sing | 1.09Å | 1.12Å | |
| C68 | H682 | sing | 1.09Å | 1.11Å | |
| C69 | C70 | sing | 1.53Å | 1.52Å | |
| C69 | H691 | sing | 1.09Å | 1.11Å | |
| C69 | H692 | sing | 1.09Å | 1.12Å | |
| C70 | C71 | sing | 1.53Å | 1.53Å | |
| C70 | H701 | sing | 1.09Å | 1.12Å | |
| C70 | H702 | sing | 1.09Å | 1.12Å | |
| C71 | C72 | sing | 1.53Å | 1.54Å | |
| C71 | H711 | sing | 1.09Å | 1.11Å | |
| C71 | H712 | sing | 1.09Å | 1.11Å | |
| C72 | H721 | sing | 1.09Å | 1.11Å | |
| C72 | H722 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | O7 | 120.9° | 120.1° |
| N2 | C1 | C6 | 114.3° | 119.8° |
| C1 | N2 | C3 | 127.5° | 121.5° |
| C1 | N2 | H2 | 116.2° | 119.2° |
| O7 | C1 | C6 | 124.8° | 120.1° |
| C1 | C6 | C5 | 119.0° | 118.9° |
| C1 | C6 | H6 | 120.5° | 120.5° |
| C3 | N2 | H2 | 116.2° | 119.3° |
| N2 | C3 | C4 | 119.8° | 120.2° |
| N2 | C3 | C9 | 116.8° | 117.1° |
| C5 | C4 | C10 | 120.9° | 117.3° |
| C5 | C4 | C3 | 117.3° | 119.7° |
| C4 | C5 | C6 | 121.9° | 120.0° |
| C4 | C5 | H5 | 119.0° | 120.1° |
| C10 | C4 | C3 | 121.7° | 123.0° |
| C4 | C10 | N17 | 110.2° | 109.3° |
| C4 | C10 | C13 | 114.7° | 110.6° |
| C4 | C10 | H10 | 107.4° | 109.3° |
| C4 | C3 | C9 | 123.4° | 122.7° |
| C6 | C5 | H5 | 119.0° | 120.0° |
| C5 | C6 | H6 | 120.5° | 120.5° |
| C9 | C14 | C13 | 110.6° | 108.3° |
| C9 | C14 | H141 | 111.8° | 109.7° |
| C9 | C14 | H142 | 111.8° | 109.7° |
| C14 | C9 | C3 | 111.1° | 110.7° |
| C14 | C9 | H9C1 | 111.6° | 109.3° |
| C14 | C9 | H9C2 | 111.6° | 109.2° |
| C13 | C14 | H141 | 111.8° | 109.7° |
| C13 | C14 | H142 | 111.8° | 109.7° |
| C14 | C13 | C10 | 113.3° | 108.2° |
| C14 | C13 | H131 | 110.8° | 109.7° |
| C14 | C13 | H132 | 110.8° | 109.7° |
| H141 | C14 | H142 | 98.6° | 109.7° |
| C24 | N17 | C10 | 121.4° | 106.8° |
| C24 | N17 | H17 | 107.9° | 106.7° |
| N17 | C24 | C63 | 104.7° | 109.6° |
| N17 | C24 | H241 | 114.0° | 109.4° |
| N17 | C24 | H242 | 114.0° | 109.5° |
| C10 | N17 | H17 | 108.0° | 106.6° |
| N17 | C10 | C13 | 109.5° | 109.2° |
| N17 | C10 | H10 | 107.4° | 109.2° |
| C63 | C24 | H241 | 114.0° | 109.5° |
| C63 | C24 | H242 | 114.0° | 109.5° |
| C24 | C63 | C64 | 111.1° | 109.5° |
| C24 | C63 | H631 | 111.6° | 109.5° |
| C24 | C63 | H632 | 111.6° | 109.4° |
| H241 | C24 | H242 | 96.5° | 109.4° |
| C3 | C9 | H9C1 | 111.6° | 109.2° |
| C3 | C9 | H9C2 | 111.6° | 109.2° |
| H9C1 | C9 | H9C2 | 98.8° | 109.1° |
| C13 | C10 | H10 | 107.4° | 109.2° |
| C10 | C13 | H131 | 110.8° | 109.7° |
| C10 | C13 | H132 | 110.8° | 109.8° |
| H131 | C13 | H132 | 99.5° | 109.7° |
| C64 | C63 | H631 | 111.6° | 109.5° |
| C64 | C63 | H632 | 111.6° | 109.4° |
| C63 | C64 | C65 | 110.2° | 109.5° |
| C63 | C64 | H641 | 111.9° | 109.5° |
| C63 | C64 | H642 | 112.0° | 109.4° |
| H631 | C63 | H632 | 98.7° | 109.5° |
| N30 | C29 | C34 | 115.1° | 119.7° |
| N30 | C29 | O35 | 120.2° | 120.2° |
| C29 | N30 | C31 | 126.9° | 121.5° |
| C29 | N30 | H30 | 116.6° | 119.2° |
| C34 | C29 | O35 | 124.5° | 120.1° |
| C29 | C34 | C33 | 118.8° | 119.0° |
| C29 | C34 | H34 | 120.6° | 120.5° |
| C31 | N30 | H30 | 116.6° | 119.3° |
| N30 | C31 | C32 | 119.1° | 120.2° |
| N30 | C31 | C36 | 117.3° | 117.1° |
| C32 | C31 | C36 | 123.7° | 122.7° |
| C31 | C32 | C33 | 118.3° | 119.6° |
| C31 | C32 | C37 | 120.0° | 123.1° |
| C31 | C36 | C39 | 110.9° | 110.7° |
| C31 | C36 | H361 | 111.7° | 109.2° |
| C31 | C36 | H362 | 111.6° | 109.2° |
| C33 | C32 | C37 | 121.7° | 117.3° |
| C32 | C33 | C34 | 121.9° | 119.9° |
| C32 | C33 | H33 | 119.1° | 120.0° |
| C32 | C37 | C38 | 114.7° | 110.6° |
| C32 | C37 | N40 | 115.1° | 109.2° |
| C32 | C37 | H37 | 106.3° | 109.3° |
| C34 | C33 | H33 | 119.0° | 120.1° |
| C33 | C34 | H34 | 120.6° | 120.5° |
| C39 | C36 | H361 | 111.7° | 109.2° |
| C39 | C36 | H362 | 111.7° | 109.2° |
| C36 | C39 | C38 | 110.2° | 108.2° |
| C36 | C39 | H391 | 112.0° | 109.7° |
| C36 | C39 | H392 | 111.9° | 109.7° |
| H361 | C36 | H362 | 98.7° | 109.2° |
| C38 | C37 | N40 | 107.5° | 109.3° |
| C38 | C37 | H37 | 106.3° | 109.2° |
| C37 | C38 | C39 | 110.9° | 108.2° |
| C37 | C38 | H381 | 111.7° | 109.7° |
| C37 | C38 | H382 | 111.7° | 109.7° |
| N40 | C37 | H37 | 106.3° | 109.2° |
| C37 | N40 | C41 | 119.3° | 106.7° |
| C37 | N40 | H40 | 108.7° | 106.7° |
| C39 | C38 | H381 | 111.7° | 109.8° |
| C39 | C38 | H382 | 111.7° | 109.7° |
| C38 | C39 | H391 | 111.9° | 109.7° |
| C38 | C39 | H392 | 111.9° | 109.7° |
| H381 | C38 | H382 | 98.7° | 109.7° |
| H391 | C39 | H392 | 98.5° | 109.8° |
| C41 | N40 | H40 | 108.7° | 106.7° |
| N40 | C41 | C72 | 106.4° | 109.5° |
| N40 | C41 | H411 | 113.4° | 109.5° |
| N40 | C41 | H412 | 113.3° | 109.4° |
| C72 | C41 | H411 | 113.3° | 109.5° |
| C72 | C41 | H412 | 113.4° | 109.4° |
| C41 | C72 | C71 | 113.2° | 109.5° |
| C41 | C72 | H721 | 110.8° | 109.5° |
| C41 | C72 | H722 | 110.9° | 109.5° |
| H411 | C41 | H412 | 97.1° | 109.4° |
| C65 | C64 | H641 | 111.9° | 109.5° |
| C65 | C64 | H642 | 111.9° | 109.5° |
| C64 | C65 | C66 | 111.8° | 109.5° |
| C64 | C65 | H651 | 111.4° | 109.5° |
| C64 | C65 | H652 | 111.3° | 109.4° |
| H641 | C64 | H642 | 98.5° | 109.4° |
| C66 | C65 | H651 | 111.3° | 109.4° |
| C66 | C65 | H652 | 111.3° | 109.4° |
| C65 | C66 | C67 | 110.7° | 109.5° |
| C65 | C66 | H661 | 111.7° | 109.5° |
| C65 | C66 | H662 | 111.7° | 109.4° |
| H651 | C65 | H652 | 99.0° | 109.5° |
| C67 | C66 | H661 | 111.7° | 109.5° |
| C67 | C66 | H662 | 111.7° | 109.5° |
| C66 | C67 | C68 | 113.0° | 109.5° |
| C66 | C67 | H671 | 110.9° | 109.5° |
| C66 | C67 | H672 | 110.9° | 109.4° |
| H661 | C66 | H662 | 98.7° | 109.4° |
| C68 | C67 | H671 | 110.9° | 109.5° |
| C68 | C67 | H672 | 110.9° | 109.4° |
| C67 | C68 | C69 | 113.5° | 109.6° |
| C67 | C68 | H681 | 110.8° | 109.5° |
| C67 | C68 | H682 | 110.7° | 109.5° |
| H671 | C67 | H672 | 99.4° | 109.4° |
| C69 | C68 | H681 | 110.7° | 109.5° |
| C69 | C68 | H682 | 110.7° | 109.5° |
| C68 | C69 | C70 | 110.8° | 109.6° |
| C68 | C69 | H691 | 111.7° | 109.5° |
| C68 | C69 | H692 | 111.7° | 109.4° |
| H681 | C68 | H682 | 99.5° | 109.4° |
| C70 | C69 | H691 | 111.7° | 109.5° |
| C70 | C69 | H692 | 111.7° | 109.5° |
| C69 | C70 | C71 | 113.8° | 109.6° |
| C69 | C70 | H701 | 110.6° | 109.5° |
| C69 | C70 | H702 | 110.6° | 109.5° |
| H691 | C69 | H692 | 98.7° | 109.4° |
| C71 | C70 | H701 | 110.6° | 109.4° |
| C71 | C70 | H702 | 110.6° | 109.5° |
| C70 | C71 | C72 | 113.3° | 109.6° |
| C70 | C71 | H711 | 110.8° | 109.4° |
| C70 | C71 | H712 | 110.8° | 109.5° |
| H701 | C70 | H702 | 99.7° | 109.4° |
| C72 | C71 | H711 | 110.8° | 109.5° |
| C72 | C71 | H712 | 110.8° | 109.4° |
| C71 | C72 | H721 | 110.9° | 109.4° |
| C71 | C72 | H722 | 110.8° | 109.5° |
| H711 | C71 | H712 | 99.5° | 109.4° |
| H721 | C72 | H722 | 99.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | O7 | C6 | 177.7° | 179.8° |
| C1 | N2 | C3 | H2 | 180.0° | 179.9° |
| C1 | N2 | C3 | C4 | 1.8° | 0.6° |
| N2 | C1 | C6 | C5 | 0.0° | 0.3° |
| N2 | C1 | C6 | H6 | 180.0° | 179.9° |
| C1 | N2 | C3 | C9 | 178.3° | 178.8° |
| O7 | C1 | N2 | C3 | 178.5° | 179.8° |
| O7 | C1 | N2 | H2 | 1.6° | 0.3° |
| O7 | C1 | C6 | C5 | 177.8° | 180.0° |
| O7 | C1 | C6 | H6 | 2.2° | 0.4° |
| C6 | C1 | N2 | C3 | 0.5° | 0.5° |
| C6 | C1 | N2 | H2 | 179.5° | 179.5° |
| C1 | C6 | C5 | C4 | 0.6° | 0.3° |
| C1 | C6 | C5 | H6 | 180.0° | 179.6° |
| C1 | C6 | C5 | H5 | 179.4° | 179.9° |
| N2 | C3 | C4 | C5 | 2.3° | 0.6° |
| N2 | C3 | C4 | C10 | 177.9° | 178.9° |
| N2 | C3 | C4 | C9 | 179.9° | 179.4° |
| N2 | C3 | C9 | C14 | 156.1° | 162.1° |
| N2 | C3 | C9 | H9C1 | 78.6° | 77.5° |
| N2 | C3 | C9 | H9C2 | 30.9° | 41.8° |
| H2 | N2 | C3 | C4 | 178.2° | 179.3° |
| H2 | N2 | C3 | C9 | 1.7° | 1.2° |
| C5 | C4 | C10 | C3 | 175.4° | 179.5° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C5 | C4 | C10 | N17 | 61.8° | 41.9° |
| C4 | C5 | C6 | H6 | 179.4° | 179.8° |
| C5 | C4 | C3 | C9 | 177.8° | 178.8° |
| C5 | C4 | C10 | C13 | 174.1° | 162.2° |
| C5 | C4 | C10 | H10 | 54.8° | 77.6° |
| C10 | C4 | C5 | C6 | 177.4° | 179.1° |
| C10 | C4 | C5 | H5 | 2.6° | 0.8° |
| C4 | C10 | C13 | C14 | 30.6° | 50.8° |
| C4 | C10 | N17 | C24 | 56.7° | 158.6° |
| C4 | C10 | N17 | C13 | 127.0° | 121.1° |
| C4 | C10 | N17 | H10 | 116.7° | 119.5° |
| C4 | C10 | N17 | H17 | 68.6° | 44.8° |
| C10 | C4 | C3 | C9 | 2.2° | 1.7° |
| C4 | C10 | C13 | H10 | 119.3° | 120.3° |
| C4 | C10 | C13 | H131 | 155.8° | 170.5° |
| C4 | C10 | C13 | H132 | 94.7° | 68.9° |
| C3 | C4 | C5 | C6 | 1.8° | 0.4° |
| C3 | C4 | C5 | H5 | 178.2° | 179.7° |
| C4 | C3 | C9 | C14 | 23.8° | 18.4° |
| C3 | C4 | C10 | N17 | 122.7° | 138.6° |
| C4 | C3 | C9 | H9C1 | 101.5° | 102.0° |
| C4 | C3 | C9 | H9C2 | 149.0° | 138.8° |
| C3 | C4 | C10 | C13 | 1.3° | 18.4° |
| C3 | C4 | C10 | H10 | 120.6° | 101.9° |
| H5 | C5 | C6 | H6 | 0.6° | 0.3° |
| C9 | C14 | C13 | H141 | 125.2° | 119.7° |
| C9 | C14 | C13 | H142 | 125.3° | 119.7° |
| C9 | C14 | H141 | H142 | 117.7° | 120.6° |
| C14 | C9 | C3 | H9C1 | 125.3° | 120.4° |
| C14 | C9 | C3 | H9C2 | 125.3° | 120.3° |
| C14 | C9 | H9C1 | H9C2 | 117.5° | 119.4° |
| C9 | C14 | C13 | C10 | 56.5° | 69.0° |
| C9 | C14 | C13 | H131 | 178.2° | 171.3° |
| C9 | C14 | C13 | H132 | 68.7° | 50.7° |
| C13 | C14 | H141 | H142 | 117.7° | 120.6° |
| C14 | C13 | C10 | N17 | 93.9° | 171.2° |
| C13 | C14 | C9 | C3 | 51.6° | 51.0° |
| C13 | C14 | C9 | H9C1 | 73.6° | 69.4° |
| C13 | C14 | C9 | H9C2 | 176.9° | 171.3° |
| C14 | C13 | C10 | H131 | 125.2° | 119.7° |
| C14 | C13 | C10 | H132 | 125.2° | 119.7° |
| C14 | C13 | C10 | H10 | 149.8° | 69.5° |
| C14 | C13 | H131 | H132 | 116.7° | 120.6° |
| H141 | C14 | C9 | C3 | 176.9° | 68.8° |
| H141 | C14 | C9 | H9C1 | 51.6° | 170.9° |
| H141 | C14 | C9 | H9C2 | 57.9° | 51.5° |
| H141 | C14 | C13 | C10 | 178.2° | 50.7° |
| H141 | C14 | C13 | H131 | 53.0° | 68.9° |
| H141 | C14 | C13 | H132 | 56.5° | 170.5° |
| H142 | C14 | C9 | C3 | 73.6° | 170.6° |
| H142 | C14 | C9 | H9C1 | 161.1° | 50.2° |
| H142 | C14 | C9 | H9C2 | 51.6° | 69.1° |
| H142 | C14 | C13 | C10 | 68.7° | 171.3° |
| H142 | C14 | C13 | H131 | 56.5° | 51.7° |
| H142 | C14 | C13 | H132 | 166.0° | 68.9° |
| C24 | N17 | C10 | H17 | 125.3° | 113.8° |
| N17 | C24 | C63 | H241 | 125.3° | 120.0° |
| N17 | C24 | C63 | H242 | 125.3° | 120.1° |
| N17 | C24 | H241 | H242 | 119.9° | 119.9° |
| C24 | N17 | C10 | C13 | 70.3° | 80.2° |
| C24 | N17 | C10 | H10 | 173.4° | 39.1° |
| N17 | C24 | C63 | C64 | 134.2° | 180.0° |
| N17 | C24 | C63 | H631 | 8.9° | 60.0° |
| N17 | C24 | C63 | H632 | 100.5° | 60.0° |
| C10 | N17 | C24 | C63 | 148.4° | 175.2° |
| C10 | N17 | C24 | H241 | 86.3° | 55.2° |
| C10 | N17 | C24 | H242 | 23.1° | 64.7° |
| N17 | C10 | C13 | H10 | 116.3° | 119.3° |
| N17 | C10 | C13 | H131 | 31.4° | 69.2° |
| N17 | C10 | C13 | H132 | 140.9° | 51.5° |
| H17 | N17 | C24 | C63 | 23.1° | 71.0° |
| H17 | N17 | C24 | H241 | 148.4° | 168.9° |
| H17 | N17 | C24 | H242 | 102.2° | 49.0° |
| H17 | N17 | C10 | C13 | 164.4° | 166.0° |
| H17 | N17 | C10 | H10 | 48.1° | 74.7° |
| C63 | C24 | H241 | H242 | 119.9° | 120.0° |
| C24 | C63 | C64 | H631 | 125.3° | 120.1° |
| C24 | C63 | C64 | H632 | 125.3° | 120.0° |
| C24 | C63 | H631 | H632 | 117.5° | 120.0° |
| C24 | C63 | C64 | C65 | 71.6° | 180.0° |
| C24 | C63 | C64 | H641 | 163.1° | 59.9° |
| C24 | C63 | C64 | H642 | 53.6° | 60.0° |
| H241 | C24 | C63 | C64 | 100.6° | 60.0° |
| H241 | C24 | C63 | H631 | 134.2° | 180.0° |
| H241 | C24 | C63 | H632 | 24.7° | 60.0° |
| H242 | C24 | C63 | C64 | 8.9° | 60.0° |
| H242 | C24 | C63 | H631 | 116.4° | 60.1° |
| H242 | C24 | C63 | H632 | 134.2° | 179.9° |
| C3 | C9 | H9C1 | H9C2 | 117.5° | 119.3° |
| C10 | C13 | H131 | H132 | 116.7° | 120.7° |
| H10 | C10 | C13 | H131 | 84.9° | 50.2° |
| H10 | C10 | C13 | H132 | 24.6° | 170.8° |
| C64 | C63 | H631 | H632 | 117.5° | 119.9° |
| C63 | C64 | C65 | H641 | 125.2° | 120.0° |
| C63 | C64 | C65 | H642 | 125.3° | 120.0° |
| C63 | C64 | H641 | H642 | 117.9° | 119.9° |
| C63 | C64 | C65 | C66 | 155.2° | 180.0° |
| C63 | C64 | C65 | H651 | 30.0° | 60.0° |
| C63 | C64 | C65 | H652 | 79.5° | 60.0° |
| H631 | C63 | C64 | C65 | 53.6° | 59.9° |
| H631 | C63 | C64 | H641 | 71.6° | 180.0° |
| H631 | C63 | C64 | H642 | 178.9° | 60.1° |
| H632 | C63 | C64 | C65 | 163.1° | 60.0° |
| H632 | C63 | C64 | H641 | 37.8° | 60.0° |
| H632 | C63 | C64 | H642 | 71.7° | 179.9° |
| N30 | C29 | C34 | O35 | 175.2° | 179.9° |
| C29 | N30 | C31 | H30 | 180.0° | 179.9° |
| C29 | N30 | C31 | C32 | 1.1° | 0.4° |
| C29 | N30 | C31 | C36 | 179.1° | 179.5° |
| N30 | C29 | C34 | C33 | 1.7° | 0.3° |
| N30 | C29 | C34 | H34 | 178.3° | 179.8° |
| C34 | C29 | N30 | C31 | 1.9° | 0.0° |
| C34 | C29 | N30 | H30 | 178.1° | 179.9° |
| C29 | C34 | C33 | C32 | 0.8° | 0.2° |
| C29 | C34 | C33 | H34 | 180.0° | 180.0° |
| C29 | C34 | C33 | H33 | 179.2° | 179.8° |
| O35 | C29 | N30 | C31 | 173.5° | 179.9° |
| O35 | C29 | N30 | H30 | 6.4° | 0.2° |
| O35 | C29 | C34 | C33 | 173.6° | 179.8° |
| O35 | C29 | C34 | H34 | 6.4° | 0.2° |
| N30 | C31 | C32 | C36 | 179.7° | 179.8° |
| N30 | C31 | C32 | C33 | 0.0° | 0.4° |
| N30 | C31 | C32 | C37 | 178.2° | 179.3° |
| N30 | C31 | C36 | C39 | 159.4° | 162.3° |
| N30 | C31 | C36 | H361 | 34.1° | 42.0° |
| N30 | C31 | C36 | H362 | 75.3° | 77.4° |
| H30 | N30 | C31 | C32 | 178.9° | 179.5° |
| H30 | N30 | C31 | C36 | 0.8° | 0.6° |
| C31 | C32 | C33 | C37 | 178.1° | 179.7° |
| C31 | C32 | C33 | C34 | 0.1° | 0.2° |
| C31 | C32 | C33 | H33 | 179.9° | 179.8° |
| C32 | C31 | C36 | C39 | 20.9° | 17.8° |
| C32 | C31 | C36 | H361 | 146.2° | 138.1° |
| C32 | C31 | C36 | H362 | 104.4° | 102.5° |
| C31 | C32 | C37 | C38 | 13.2° | 17.9° |
| C31 | C32 | C37 | N40 | 138.7° | 138.2° |
| C31 | C32 | C37 | H37 | 103.9° | 102.4° |
| C36 | C31 | C32 | C33 | 179.7° | 179.4° |
| C36 | C31 | C32 | C37 | 2.1° | 0.9° |
| C31 | C36 | C39 | H361 | 125.3° | 120.3° |
| C31 | C36 | C39 | H362 | 125.2° | 120.3° |
| C31 | C36 | H361 | H362 | 117.5° | 119.4° |
| C31 | C36 | C39 | C38 | 50.1° | 50.8° |
| C31 | C36 | C39 | H391 | 75.1° | 68.8° |
| C31 | C36 | C39 | H392 | 175.4° | 170.5° |
| C32 | C33 | C34 | H33 | 180.0° | 180.0° |
| C32 | C33 | C34 | H34 | 179.2° | 179.8° |
| C33 | C32 | C37 | C38 | 168.7° | 162.4° |
| C33 | C32 | C37 | N40 | 43.1° | 42.1° |
| C33 | C32 | C37 | H37 | 74.2° | 77.3° |
| C37 | C32 | C33 | C34 | 178.1° | 179.5° |
| C37 | C32 | C33 | H33 | 1.9° | 0.5° |
| C32 | C37 | C38 | N40 | 129.4° | 120.3° |
| C32 | C37 | C38 | H37 | 117.1° | 120.4° |
| C32 | C37 | N40 | H37 | 117.3° | 119.5° |
| C32 | C37 | C38 | C39 | 43.2° | 50.8° |
| C32 | C37 | C38 | H381 | 82.1° | 170.5° |
| C32 | C37 | C38 | H382 | 168.5° | 68.9° |
| C32 | C37 | N40 | C41 | 71.5° | 152.0° |
| C32 | C37 | N40 | H40 | 53.8° | 94.3° |
| H33 | C33 | C34 | H34 | 0.8° | 0.1° |
| C39 | C36 | H361 | H362 | 117.6° | 119.4° |
| C36 | C39 | C38 | C37 | 62.6° | 69.1° |
| C36 | C39 | C38 | H391 | 125.3° | 119.7° |
| C36 | C39 | C38 | H392 | 125.2° | 119.7° |
| C36 | C39 | C38 | H381 | 62.7° | 171.2° |
| C36 | C39 | C38 | H382 | 172.1° | 50.6° |
| C36 | C39 | H391 | H392 | 117.9° | 120.6° |
| H361 | C36 | C39 | C38 | 175.4° | 171.1° |
| H361 | C36 | C39 | H391 | 50.2° | 51.4° |
| H361 | C36 | C39 | H392 | 59.3° | 69.2° |
| H362 | C36 | C39 | C38 | 75.1° | 69.5° |
| H362 | C36 | C39 | H391 | 159.6° | 170.8° |
| H362 | C36 | C39 | H392 | 50.2° | 50.2° |
| C38 | C37 | N40 | H37 | 113.5° | 119.4° |
| C37 | C38 | C39 | H381 | 125.3° | 119.7° |
| C37 | C38 | C39 | H382 | 125.3° | 119.7° |
| C37 | C38 | H381 | H382 | 117.6° | 120.6° |
| C37 | C38 | C39 | H391 | 62.6° | 50.6° |
| C37 | C38 | C39 | H392 | 172.1° | 171.2° |
| C38 | C37 | N40 | C41 | 57.7° | 86.9° |
| C38 | C37 | N40 | H40 | 177.0° | 26.8° |
| N40 | C37 | C38 | C39 | 172.6° | 171.0° |
| N40 | C37 | C38 | H381 | 47.3° | 69.3° |
| N40 | C37 | C38 | H382 | 62.1° | 51.3° |
| C37 | N40 | C41 | H40 | 125.2° | 113.8° |
| C37 | N40 | C41 | C72 | 115.1° | 176.3° |
| C37 | N40 | C41 | H411 | 10.1° | 63.6° |
| C37 | N40 | C41 | H412 | 119.6° | 56.4° |
| H37 | C37 | C38 | C39 | 73.9° | 69.6° |
| H37 | C37 | C38 | H381 | 160.8° | 50.1° |
| H37 | C37 | C38 | H382 | 51.4° | 170.7° |
| H37 | C37 | N40 | C41 | 171.2° | 32.5° |
| H37 | C37 | N40 | H40 | 63.6° | 146.2° |
| C39 | C38 | H381 | H382 | 117.6° | 120.6° |
| C38 | C39 | H391 | H392 | 117.9° | 120.6° |
| H381 | C38 | C39 | H391 | 172.1° | 69.1° |
| H381 | C38 | C39 | H392 | 62.6° | 51.5° |
| H382 | C38 | C39 | H391 | 62.6° | 170.3° |
| H382 | C38 | C39 | H392 | 46.9° | 69.1° |
| N40 | C41 | C72 | H411 | 125.3° | 120.1° |
| N40 | C41 | C72 | H412 | 125.3° | 120.0° |
| N40 | C41 | H411 | H412 | 119.3° | 119.9° |
| N40 | C41 | C72 | C71 | 41.4° | 180.0° |
| N40 | C41 | C72 | H721 | 83.9° | 60.0° |
| N40 | C41 | C72 | H722 | 166.6° | 60.0° |
| H40 | N40 | C41 | C72 | 119.6° | 62.5° |
| H40 | N40 | C41 | H411 | 115.1° | 177.3° |
| H40 | N40 | C41 | H412 | 5.6° | 57.4° |
| C72 | C41 | H411 | H412 | 119.3° | 120.0° |
| C41 | C72 | C71 | C70 | 171.9° | 180.0° |
| C41 | C72 | C71 | H721 | 125.3° | 120.0° |
| C41 | C72 | C71 | H722 | 125.3° | 120.1° |
| C41 | C72 | C71 | H711 | 46.7° | 60.0° |
| C41 | C72 | C71 | H712 | 62.8° | 60.0° |
| C41 | C72 | H721 | H722 | 116.7° | 120.0° |
| H411 | C41 | C72 | C71 | 166.6° | 59.9° |
| H411 | C41 | C72 | H721 | 41.3° | 179.9° |
| H411 | C41 | C72 | H722 | 68.1° | 60.1° |
| H412 | C41 | C72 | C71 | 83.9° | 60.0° |
| H412 | C41 | C72 | H721 | 150.8° | 60.0° |
| H412 | C41 | C72 | H722 | 41.4° | 179.9° |
| C65 | C64 | H641 | H642 | 117.8° | 120.0° |
| C64 | C65 | C66 | H651 | 125.3° | 120.1° |
| C64 | C65 | C66 | H652 | 125.3° | 120.0° |
| C64 | C65 | H651 | H652 | 117.2° | 120.0° |
| C64 | C65 | C66 | C67 | 177.9° | 180.0° |
| C64 | C65 | C66 | H661 | 52.6° | 59.9° |
| C64 | C65 | C66 | H662 | 56.9° | 60.0° |
| H641 | C64 | C65 | C66 | 79.5° | 60.0° |
| H641 | C64 | C65 | H651 | 155.2° | 180.0° |
| H641 | C64 | C65 | H652 | 45.7° | 60.0° |
| H642 | C64 | C65 | C66 | 30.0° | 60.0° |
| H642 | C64 | C65 | H651 | 95.3° | 60.1° |
| H642 | C64 | C65 | H652 | 155.2° | 179.9° |
| C66 | C65 | H651 | H652 | 117.2° | 119.9° |
| C65 | C66 | C67 | H661 | 125.3° | 120.0° |
| C65 | C66 | C67 | H662 | 125.3° | 120.0° |
| C65 | C66 | H661 | H662 | 117.7° | 119.9° |
| C65 | C66 | C67 | C68 | 72.5° | 180.0° |
| C65 | C66 | C67 | H671 | 162.3° | 59.9° |
| C65 | C66 | C67 | H672 | 52.8° | 60.0° |
| H651 | C65 | C66 | C67 | 56.8° | 59.9° |
| H651 | C65 | C66 | H661 | 177.9° | 180.0° |
| H651 | C65 | C66 | H662 | 68.4° | 60.1° |
| H652 | C65 | C66 | C67 | 52.6° | 60.0° |
| H652 | C65 | C66 | H661 | 72.6° | 60.0° |
| H652 | C65 | C66 | H662 | 177.9° | 179.9° |
| C67 | C66 | H661 | H662 | 117.6° | 120.0° |
| C66 | C67 | C68 | H671 | 125.3° | 120.1° |
| C66 | C67 | C68 | H672 | 125.3° | 120.0° |
| C66 | C67 | H671 | H672 | 116.8° | 120.0° |
| C66 | C67 | C68 | C69 | 154.8° | 180.0° |
| C66 | C67 | C68 | H681 | 79.9° | 59.9° |
| C66 | C67 | C68 | H682 | 29.6° | 60.0° |
| H661 | C66 | C67 | C68 | 52.8° | 60.0° |
| H661 | C66 | C67 | H671 | 72.5° | 180.0° |
| H661 | C66 | C67 | H672 | 178.1° | 60.0° |
| H662 | C66 | C67 | C68 | 162.3° | 60.0° |
| H662 | C66 | C67 | H671 | 37.0° | 60.1° |
| H662 | C66 | C67 | H672 | 72.4° | 179.9° |
| C68 | C67 | H671 | H672 | 116.8° | 119.9° |
| C67 | C68 | C69 | H681 | 125.3° | 120.1° |
| C67 | C68 | C69 | H682 | 125.3° | 120.0° |
| C67 | C68 | H681 | H682 | 116.6° | 120.0° |
| C67 | C68 | C69 | C70 | 157.7° | 180.0° |
| C67 | C68 | C69 | H691 | 32.4° | 59.9° |
| C67 | C68 | C69 | H692 | 77.1° | 60.0° |
| H671 | C67 | C68 | C69 | 29.6° | 59.9° |
| H671 | C67 | C68 | H681 | 154.9° | 180.0° |
| H671 | C67 | C68 | H682 | 95.7° | 60.1° |
| H672 | C67 | C68 | C69 | 79.9° | 60.0° |
| H672 | C67 | C68 | H681 | 45.4° | 60.0° |
| H672 | C67 | C68 | H682 | 154.9° | 179.9° |
| C69 | C68 | H681 | H682 | 116.6° | 119.9° |
| C68 | C69 | C70 | H691 | 125.3° | 120.0° |
| C68 | C69 | C70 | H692 | 125.2° | 120.0° |
| C68 | C69 | H691 | H692 | 117.6° | 119.9° |
| C68 | C69 | C70 | C71 | 80.1° | 180.0° |
| C68 | C69 | C70 | H701 | 154.6° | 60.0° |
| C68 | C69 | C70 | H702 | 45.1° | 60.0° |
| H681 | C68 | C69 | C70 | 77.0° | 59.9° |
| H681 | C68 | C69 | H691 | 157.7° | 180.0° |
| H681 | C68 | C69 | H692 | 48.2° | 60.1° |
| H682 | C68 | C69 | C70 | 32.4° | 59.9° |
| H682 | C68 | C69 | H691 | 92.9° | 60.1° |
| H682 | C68 | C69 | H692 | 157.7° | 180.0° |
| C70 | C69 | H691 | H692 | 117.6° | 120.0° |
| C69 | C70 | C71 | H701 | 125.3° | 120.0° |
| C69 | C70 | C71 | H702 | 125.2° | 120.1° |
| C69 | C70 | H701 | H702 | 116.4° | 120.0° |
| C69 | C70 | C71 | C72 | 57.4° | 180.0° |
| C69 | C70 | C71 | H711 | 67.8° | 60.0° |
| C69 | C70 | C71 | H712 | 177.3° | 60.0° |
| H691 | C69 | C70 | C71 | 45.2° | 60.0° |
| H691 | C69 | C70 | H701 | 80.1° | 180.0° |
| H691 | C69 | C70 | H702 | 170.4° | 60.1° |
| H692 | C69 | C70 | C71 | 154.6° | 60.0° |
| H692 | C69 | C70 | H701 | 29.4° | 60.0° |
| H692 | C69 | C70 | H702 | 80.1° | 179.9° |
| C71 | C70 | H701 | H702 | 116.5° | 119.9° |
| C70 | C71 | C72 | H711 | 125.3° | 120.0° |
| C70 | C71 | C72 | H712 | 125.2° | 120.0° |
| C70 | C71 | H711 | H712 | 116.7° | 119.9° |
| C70 | C71 | C72 | H721 | 62.8° | 60.0° |
| C70 | C71 | C72 | H722 | 46.7° | 59.9° |
| H701 | C70 | C71 | C72 | 67.8° | 60.0° |
| H701 | C70 | C71 | H711 | 166.9° | 180.0° |
| H701 | C70 | C71 | H712 | 57.4° | 60.0° |
| H702 | C70 | C71 | C72 | 177.4° | 59.9° |
| H702 | C70 | C71 | H711 | 57.4° | 60.2° |
| H702 | C70 | C71 | H712 | 52.1° | 179.9° |
| C72 | C71 | H711 | H712 | 116.7° | 120.0° |
| C71 | C72 | H721 | H722 | 116.7° | 119.9° |
| H711 | C71 | C72 | H721 | 172.0° | 180.0° |
| H711 | C71 | C72 | H722 | 78.6° | 60.1° |
| H712 | C71 | C72 | H721 | 62.5° | 60.0° |
| H712 | C71 | C72 | H722 | 171.9° | 179.9° |
