NOL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.43Å | Aromatic |
| C1 | C6 | doub | 1.38Å | 1.54Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | doub | 1.38Å | 1.56Å | Aromatic |
| C2 | C13 | sing | 1.51Å | 1.53Å | |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | doub | 1.38Å | 1.55Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | C6 | sing | 1.38Å | 1.43Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | O15 | sing | 1.45Å | 1.44Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| O15 | C17 | sing | 1.35Å | 1.43Å | |
| C17 | N19 | sing | 1.35Å | 1.36Å | |
| C17 | O89 | doub | 1.22Å | 1.28Å | |
| N19 | C21 | sing | 1.47Å | 1.48Å | |
| N19 | HN19 | sing | 0.97Å | 1.00Å | |
| C21 | C23 | sing | 1.51Å | 1.44Å | |
| C21 | C75 | sing | 1.53Å | 1.50Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C23 | N25 | sing | 1.35Å | 1.32Å | |
| C23 | O73 | doub | 1.21Å | 1.19Å | |
| N25 | C27 | sing | 1.46Å | 1.51Å | |
| N25 | HN25 | sing | 0.97Å | 1.00Å | |
| C27 | C29 | sing | 1.51Å | 1.49Å | |
| C27 | C58 | sing | 1.53Å | 1.55Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C29 | N31 | sing | 1.35Å | 1.45Å | |
| C29 | O56 | doub | 1.21Å | 1.25Å | |
| N31 | C33 | sing | 1.47Å | 1.36Å | |
| N31 | HN31 | sing | 0.97Å | 1.00Å | |
| C33 | C35 | sing | 1.53Å | 1.39Å | |
| C33 | C41 | sing | 1.53Å | 1.63Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C35 | O39 | sing | 1.43Å | 1.46Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| O39 | HO39 | sing | 0.97Å | 0.95Å | |
| C41 | C43 | sing | 1.53Å | 1.48Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C43 | C45 | sing | 1.55Å | 1.53Å | |
| C43 | C51 | sing | 1.51Å | 1.47Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C45 | C47 | sing | 1.55Å | 1.55Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C47 | N49 | sing | 1.47Å | 1.47Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| N49 | C51 | sing | 1.35Å | 1.37Å | |
| N49 | HN49 | sing | 0.97Å | 1.00Å | |
| C51 | O54 | doub | 1.21Å | 1.25Å | |
| C58 | C60 | sing | 1.53Å | 1.52Å | |
| C58 | H581 | sing | 1.09Å | 1.10Å | |
| C58 | H582 | sing | 1.09Å | 1.10Å | |
| C60 | C62 | sing | 1.53Å | 1.59Å | |
| C60 | C66 | sing | 1.53Å | 1.60Å | |
| C60 | H60 | sing | 1.09Å | 1.10Å | |
| C62 | C63 | sing | 1.53Å | 1.57Å | |
| C62 | H621 | sing | 1.09Å | 1.10Å | |
| C62 | H622 | sing | 1.09Å | 1.10Å | |
| C63 | C64 | sing | 1.53Å | 1.60Å | |
| C63 | H631 | sing | 1.09Å | 1.10Å | |
| C63 | H632 | sing | 1.09Å | 1.10Å | |
| C64 | C65 | sing | 1.53Å | 1.59Å | |
| C64 | H641 | sing | 1.09Å | 1.10Å | |
| C64 | H642 | sing | 1.09Å | 1.10Å | |
| C65 | C66 | sing | 1.53Å | 1.59Å | |
| C65 | H651 | sing | 1.09Å | 1.10Å | |
| C65 | H652 | sing | 1.09Å | 1.10Å | |
| C66 | H661 | sing | 1.09Å | 1.10Å | |
| C66 | H662 | sing | 1.09Å | 1.10Å | |
| C75 | C77 | sing | 1.53Å | 1.58Å | |
| C75 | O79 | sing | 1.43Å | 1.45Å | |
| C75 | H75 | sing | 1.09Å | 1.10Å | |
| C77 | H771 | sing | 1.09Å | 1.10Å | |
| C77 | H772 | sing | 1.09Å | 1.10Å | |
| C77 | H773 | sing | 1.09Å | 1.10Å | |
| O79 | C81 | sing | 1.43Å | 1.51Å | |
| C81 | C83 | sing | 1.53Å | 1.58Å | |
| C81 | C85 | sing | 1.53Å | 1.55Å | |
| C81 | C87 | sing | 1.53Å | 1.53Å | |
| C83 | H831 | sing | 1.09Å | 1.10Å | |
| C83 | H832 | sing | 1.09Å | 1.10Å | |
| C83 | H833 | sing | 1.09Å | 1.10Å | |
| C85 | H851 | sing | 1.09Å | 1.10Å | |
| C85 | H852 | sing | 1.09Å | 1.10Å | |
| C85 | H853 | sing | 1.09Å | 1.10Å | |
| C87 | H871 | sing | 1.09Å | 1.10Å | |
| C87 | H872 | sing | 1.09Å | 1.10Å | |
| C87 | H873 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.9° | 120.0° |
| C2 | C1 | H1 | 120.0° | 120.0° |
| C1 | C2 | C3 | 119.9° | 120.0° |
| C1 | C2 | C13 | 118.8° | 120.0° |
| C6 | C1 | H1 | 120.1° | 120.0° |
| C1 | C6 | C5 | 120.0° | 120.1° |
| C1 | C6 | H6 | 120.0° | 120.0° |
| C3 | C2 | C13 | 121.3° | 120.0° |
| C2 | C3 | C4 | 119.9° | 120.0° |
| C2 | C3 | H3 | 120.1° | 120.0° |
| C2 | C13 | O15 | 108.1° | 109.5° |
| C2 | C13 | H131 | 110.2° | 109.5° |
| C2 | C13 | H132 | 109.9° | 109.5° |
| C4 | C3 | H3 | 120.0° | 120.0° |
| C3 | C4 | C5 | 120.2° | 120.0° |
| C3 | C4 | H4 | 119.9° | 120.0° |
| C5 | C4 | H4 | 119.9° | 120.0° |
| C4 | C5 | C6 | 120.1° | 119.9° |
| C4 | C5 | H5 | 120.0° | 120.0° |
| C6 | C5 | H5 | 119.9° | 120.0° |
| C5 | C6 | H6 | 120.0° | 119.9° |
| O15 | C13 | H131 | 110.2° | 109.5° |
| O15 | C13 | H132 | 109.9° | 109.4° |
| C13 | O15 | C17 | 134.4° | 120.0° |
| H131 | C13 | H132 | 108.4° | 109.5° |
| O15 | C17 | N19 | 135.1° | 120.0° |
| O15 | C17 | O89 | 106.1° | 120.0° |
| N19 | C17 | O89 | 118.8° | 120.0° |
| C17 | N19 | C21 | 127.0° | 120.0° |
| C17 | N19 | HN19 | 116.5° | 120.0° |
| C21 | N19 | HN19 | 116.5° | 120.0° |
| N19 | C21 | C23 | 100.4° | 109.5° |
| N19 | C21 | C75 | 102.7° | 109.5° |
| N19 | C21 | H21 | 120.8° | 109.4° |
| C23 | C21 | C75 | 114.5° | 109.5° |
| C23 | C21 | H21 | 110.3° | 109.5° |
| C21 | C23 | N25 | 99.2° | 120.0° |
| C21 | C23 | O73 | 138.6° | 120.0° |
| C75 | C21 | H21 | 108.2° | 109.5° |
| C21 | C75 | C77 | 109.8° | 109.5° |
| C21 | C75 | O79 | 125.4° | 109.5° |
| C21 | C75 | H75 | 94.6° | 109.5° |
| N25 | C23 | O73 | 122.1° | 120.0° |
| C23 | N25 | C27 | 119.4° | 120.0° |
| C23 | N25 | HN25 | 120.3° | 119.9° |
| C27 | N25 | HN25 | 120.3° | 120.0° |
| N25 | C27 | C29 | 116.3° | 109.5° |
| N25 | C27 | C58 | 117.1° | 109.5° |
| N25 | C27 | H27 | 96.5° | 109.5° |
| C29 | C27 | C58 | 101.8° | 109.5° |
| C29 | C27 | H27 | 113.3° | 109.5° |
| C27 | C29 | N31 | 123.9° | 120.0° |
| C27 | C29 | O56 | 118.1° | 120.0° |
| C58 | C27 | H27 | 112.5° | 109.4° |
| C27 | C58 | C60 | 123.0° | 109.5° |
| C27 | C58 | H581 | 102.0° | 109.5° |
| C27 | C58 | H582 | 105.2° | 109.5° |
| N31 | C29 | O56 | 117.9° | 120.0° |
| C29 | N31 | C33 | 122.0° | 120.0° |
| C29 | N31 | HN31 | 119.0° | 120.0° |
| C33 | N31 | HN31 | 119.0° | 120.0° |
| N31 | C33 | C35 | 117.7° | 109.5° |
| N31 | C33 | C41 | 127.5° | 109.4° |
| N31 | C33 | H33 | 81.6° | 109.5° |
| C35 | C33 | C41 | 107.4° | 109.5° |
| C35 | C33 | H33 | 117.9° | 109.5° |
| C33 | C35 | O39 | 95.4° | 109.5° |
| C33 | C35 | H351 | 117.3° | 109.4° |
| C33 | C35 | H352 | 114.5° | 109.5° |
| C41 | C33 | H33 | 100.6° | 109.5° |
| C33 | C41 | C43 | 146.0° | 109.5° |
| C33 | C41 | H411 | 91.3° | 109.5° |
| C33 | C41 | H412 | 98.7° | 109.4° |
| O39 | C35 | H351 | 117.2° | 109.5° |
| O39 | C35 | H352 | 114.5° | 109.5° |
| C35 | O39 | HO39 | 109.5° | 106.8° |
| H351 | C35 | H352 | 99.2° | 109.4° |
| C43 | C41 | H411 | 91.3° | 109.5° |
| C43 | C41 | H412 | 98.7° | 109.4° |
| C41 | C43 | C45 | 108.3° | 110.5° |
| C41 | C43 | C51 | 114.1° | 110.5° |
| C41 | C43 | H43 | 105.3° | 110.4° |
| H411 | C41 | H412 | 144.4° | 109.4° |
| C45 | C43 | C51 | 102.9° | 104.3° |
| C45 | C43 | H43 | 116.1° | 110.4° |
| C43 | C45 | C47 | 104.8° | 101.8° |
| C43 | C45 | H451 | 112.0° | 110.9° |
| C43 | C45 | H452 | 111.0° | 110.9° |
| C51 | C43 | H43 | 110.5° | 110.5° |
| C43 | C51 | N49 | 112.4° | 110.0° |
| C43 | C51 | O54 | 125.2° | 125.1° |
| C47 | C45 | H451 | 112.1° | 111.0° |
| C47 | C45 | H452 | 111.1° | 110.9° |
| C45 | C47 | N49 | 103.5° | 105.5° |
| C45 | C47 | H471 | 112.8° | 110.2° |
| C45 | C47 | H472 | 111.5° | 110.3° |
| H451 | C45 | H452 | 105.9° | 110.9° |
| N49 | C47 | H471 | 112.8° | 110.2° |
| N49 | C47 | H472 | 111.5° | 110.3° |
| C47 | N49 | C51 | 110.3° | 111.4° |
| C47 | N49 | HN49 | 124.8° | 124.4° |
| H471 | C47 | H472 | 104.9° | 110.3° |
| C51 | N49 | HN49 | 124.8° | 124.3° |
| N49 | C51 | O54 | 122.4° | 125.0° |
| C60 | C58 | H581 | 102.0° | 109.5° |
| C60 | C58 | H582 | 105.2° | 109.5° |
| C58 | C60 | C62 | 111.1° | 109.5° |
| C58 | C60 | C66 | 109.3° | 109.5° |
| C58 | C60 | H60 | 109.0° | 109.5° |
| H581 | C58 | H582 | 120.8° | 109.4° |
| C62 | C60 | C66 | 111.1° | 109.5° |
| C62 | C60 | H60 | 107.2° | 109.5° |
| C60 | C62 | C63 | 110.5° | 109.5° |
| C60 | C62 | H621 | 108.9° | 109.5° |
| C60 | C62 | H622 | 109.1° | 109.5° |
| C66 | C60 | H60 | 109.0° | 109.5° |
| C60 | C66 | C65 | 110.9° | 109.5° |
| C60 | C66 | H661 | 108.7° | 109.5° |
| C60 | C66 | H662 | 109.0° | 109.5° |
| C63 | C62 | H621 | 108.9° | 109.4° |
| C63 | C62 | H622 | 109.2° | 109.5° |
| C62 | C63 | C64 | 111.2° | 109.4° |
| C62 | C63 | H631 | 108.5° | 109.5° |
| C62 | C63 | H632 | 108.9° | 109.4° |
| H621 | C62 | H622 | 110.3° | 109.5° |
| C64 | C63 | H631 | 108.5° | 109.5° |
| C64 | C63 | H632 | 108.9° | 109.5° |
| C63 | C64 | C65 | 112.8° | 109.5° |
| C63 | C64 | H641 | 107.6° | 109.5° |
| C63 | C64 | H642 | 108.4° | 109.5° |
| H631 | C63 | H632 | 110.8° | 109.5° |
| C65 | C64 | H641 | 107.6° | 109.5° |
| C65 | C64 | H642 | 108.4° | 109.5° |
| C64 | C65 | C66 | 111.3° | 109.5° |
| C64 | C65 | H651 | 108.5° | 109.5° |
| C64 | C65 | H652 | 108.9° | 109.5° |
| H641 | C64 | H642 | 112.1° | 109.4° |
| C66 | C65 | H651 | 108.5° | 109.4° |
| C66 | C65 | H652 | 108.9° | 109.5° |
| C65 | C66 | H661 | 108.7° | 109.4° |
| C65 | C66 | H662 | 109.0° | 109.5° |
| H651 | C65 | H652 | 110.9° | 109.5° |
| H661 | C66 | H662 | 110.6° | 109.5° |
| C77 | C75 | O79 | 92.8° | 109.5° |
| C77 | C75 | H75 | 126.4° | 109.4° |
| C75 | C77 | H771 | 109.4° | 109.5° |
| C75 | C77 | H772 | 109.5° | 109.5° |
| C75 | C77 | H773 | 109.5° | 109.4° |
| O79 | C75 | H75 | 111.1° | 109.5° |
| C75 | O79 | C81 | 126.5° | 106.8° |
| H771 | C77 | H772 | 109.5° | 109.5° |
| H771 | C77 | H773 | 109.4° | 109.5° |
| H772 | C77 | H773 | 109.5° | 109.5° |
| O79 | C81 | C83 | 115.5° | 109.5° |
| O79 | C81 | C85 | 110.2° | 109.5° |
| O79 | C81 | C87 | 107.4° | 109.5° |
| C83 | C81 | C85 | 107.9° | 109.5° |
| C83 | C81 | C87 | 107.1° | 109.5° |
| C81 | C83 | H831 | 109.4° | 109.5° |
| C81 | C83 | H832 | 109.4° | 109.5° |
| C81 | C83 | H833 | 109.5° | 109.5° |
| C85 | C81 | C87 | 108.5° | 109.5° |
| C81 | C85 | H851 | 109.5° | 109.5° |
| C81 | C85 | H852 | 109.5° | 109.5° |
| C81 | C85 | H853 | 109.5° | 109.4° |
| C81 | C87 | H871 | 109.4° | 109.5° |
| C81 | C87 | H872 | 109.5° | 109.4° |
| C81 | C87 | H873 | 109.5° | 109.5° |
| H831 | C83 | H832 | 109.5° | 109.5° |
| H831 | C83 | H833 | 109.4° | 109.5° |
| H832 | C83 | H833 | 109.5° | 109.5° |
| H851 | C85 | H852 | 109.5° | 109.6° |
| H851 | C85 | H853 | 109.5° | 109.5° |
| H852 | C85 | H853 | 109.5° | 109.5° |
| H871 | C87 | H872 | 109.5° | 109.5° |
| H871 | C87 | H873 | 109.5° | 109.5° |
| H872 | C87 | H873 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.6° |
| C1 | C2 | C3 | C13 | 179.9° | 179.8° |
| C1 | C2 | C3 | C4 | 0.1° | 0.2° |
| C1 | C2 | C3 | H3 | 180.0° | 179.8° |
| C2 | C1 | C6 | C5 | 0.0° | 0.4° |
| C2 | C1 | C6 | H6 | 180.0° | 179.7° |
| C1 | C2 | C13 | O15 | 104.2° | 90.3° |
| C1 | C2 | C13 | H131 | 16.4° | 149.7° |
| C1 | C2 | C13 | H132 | 135.8° | 29.7° |
| C6 | C1 | C2 | C3 | 0.0° | 0.4° |
| C6 | C1 | C2 | C13 | 180.0° | 179.8° |
| C1 | C6 | C5 | C4 | 0.1° | 0.1° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | H5 | 179.9° | 179.8° |
| H1 | C1 | C2 | C3 | 179.9° | 180.0° |
| H1 | C1 | C2 | C13 | 0.0° | 0.2° |
| H1 | C1 | C6 | C5 | 180.0° | 180.0° |
| H1 | C1 | C6 | H6 | 0.0° | 0.2° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.0° | 0.1° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C3 | C2 | C13 | O15 | 75.7° | 90.0° |
| C3 | C2 | C13 | H131 | 163.7° | 30.0° |
| C3 | C2 | C13 | H132 | 44.3° | 150.1° |
| C13 | C2 | C3 | C4 | 180.0° | 180.0° |
| C13 | C2 | C3 | H3 | 0.1° | 0.0° |
| C2 | C13 | O15 | H131 | 120.6° | 120.0° |
| C2 | C13 | O15 | H132 | 120.0° | 119.9° |
| C2 | C13 | H131 | H132 | 120.4° | 120.0° |
| C2 | C13 | O15 | C17 | 74.8° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 0.0° | 0.1° |
| C3 | C4 | C5 | H5 | 180.0° | 179.9° |
| H3 | C3 | C4 | C5 | 180.0° | 180.0° |
| H3 | C3 | C4 | H4 | 0.0° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 180.0° |
| C4 | C5 | C6 | H6 | 180.0° | 180.0° |
| H4 | C4 | C5 | C6 | 179.9° | 180.0° |
| H4 | C4 | C5 | H5 | 0.1° | 0.0° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
| O15 | C13 | H131 | H132 | 120.4° | 120.0° |
| C13 | O15 | C17 | N19 | 179.3° | 180.0° |
| C13 | O15 | C17 | O89 | 0.4° | 0.0° |
| H131 | C13 | O15 | C17 | 45.7° | 60.0° |
| H132 | C13 | O15 | C17 | 165.2° | 60.0° |
| O15 | C17 | N19 | O89 | 179.7° | 180.0° |
| O15 | C17 | N19 | C21 | 179.3° | 177.6° |
| O15 | C17 | N19 | HN19 | 0.7° | 2.5° |
| C17 | N19 | C21 | HN19 | 180.0° | 180.0° |
| C17 | N19 | C21 | C23 | 133.8° | 141.8° |
| C17 | N19 | C21 | C75 | 107.9° | 98.2° |
| C17 | N19 | C21 | H21 | 12.6° | 21.9° |
| O89 | C17 | N19 | C21 | 0.4° | 2.4° |
| O89 | C17 | N19 | HN19 | 179.6° | 177.6° |
| N19 | C21 | C23 | C75 | 109.2° | 120.0° |
| N19 | C21 | C23 | H21 | 128.5° | 120.0° |
| N19 | C21 | C75 | H21 | 128.8° | 120.0° |
| N19 | C21 | C23 | N25 | 121.5° | 160.6° |
| N19 | C21 | C23 | O73 | 59.7° | 19.3° |
| N19 | C21 | C75 | C77 | 179.4° | 59.0° |
| N19 | C21 | C75 | O79 | 70.8° | 61.0° |
| N19 | C21 | C75 | H75 | 49.2° | 178.9° |
| HN19 | N19 | C21 | C23 | 46.2° | 38.1° |
| HN19 | N19 | C21 | C75 | 72.1° | 81.9° |
| HN19 | N19 | C21 | H21 | 167.4° | 158.1° |
| C23 | C21 | C75 | H21 | 123.4° | 120.0° |
| C21 | C23 | N25 | O73 | 179.0° | 180.0° |
| C21 | C23 | N25 | C27 | 179.2° | 175.4° |
| C21 | C23 | N25 | HN25 | 0.8° | 4.6° |
| C23 | C21 | C75 | C77 | 72.8° | 179.0° |
| C23 | C21 | C75 | O79 | 178.6° | 58.9° |
| C23 | C21 | C75 | H75 | 58.5° | 61.1° |
| C75 | C21 | C23 | N25 | 129.3° | 79.4° |
| C75 | C21 | C23 | O73 | 49.5° | 100.7° |
| C21 | C75 | C77 | O79 | 129.3° | 120.0° |
| C21 | C75 | C77 | H75 | 111.7° | 120.0° |
| C21 | C75 | O79 | H75 | 112.3° | 120.0° |
| C21 | C75 | C77 | H771 | 139.2° | 178.7° |
| C21 | C75 | C77 | H772 | 100.8° | 58.7° |
| C21 | C75 | C77 | H773 | 19.2° | 61.3° |
| C21 | C75 | O79 | C81 | 128.1° | 140.0° |
| H21 | C21 | C23 | N25 | 7.0° | 40.7° |
| H21 | C21 | C23 | O73 | 171.8° | 139.3° |
| H21 | C21 | C75 | C77 | 50.5° | 61.0° |
| H21 | C21 | C75 | O79 | 58.0° | 179.0° |
| H21 | C21 | C75 | H75 | 178.1° | 58.9° |
| C23 | N25 | C27 | HN25 | 180.0° | 180.0° |
| C23 | N25 | C27 | C29 | 76.4° | 155.0° |
| C23 | N25 | C27 | C58 | 163.0° | 85.0° |
| C23 | N25 | C27 | H27 | 43.6° | 35.0° |
| O73 | C23 | N25 | C27 | 0.1° | 4.6° |
| O73 | C23 | N25 | HN25 | 179.8° | 175.5° |
| N25 | C27 | C29 | C58 | 128.5° | 120.0° |
| N25 | C27 | C29 | H27 | 110.5° | 120.0° |
| N25 | C27 | C58 | H27 | 110.5° | 120.0° |
| N25 | C27 | C29 | N31 | 152.3° | 180.0° |
| N25 | C27 | C29 | O56 | 26.1° | 0.0° |
| N25 | C27 | C58 | C60 | 51.2° | 65.0° |
| N25 | C27 | C58 | H581 | 164.3° | 55.0° |
| N25 | C27 | C58 | H582 | 68.8° | 175.0° |
| HN25 | N25 | C27 | C29 | 103.6° | 25.0° |
| HN25 | N25 | C27 | C58 | 17.0° | 95.0° |
| HN25 | N25 | C27 | H27 | 136.4° | 145.0° |
| C29 | C27 | C58 | H27 | 121.5° | 119.9° |
| C27 | C29 | N31 | O56 | 178.4° | 180.0° |
| C27 | C29 | N31 | C33 | 133.8° | 180.0° |
| C27 | C29 | N31 | HN31 | 46.2° | 0.1° |
| C29 | C27 | C58 | C60 | 179.2° | 175.0° |
| C29 | C27 | C58 | H581 | 67.7° | 65.0° |
| C29 | C27 | C58 | H582 | 59.2° | 54.9° |
| C58 | C27 | C29 | N31 | 79.2° | 60.0° |
| C58 | C27 | C29 | O56 | 102.4° | 120.0° |
| C27 | C58 | C60 | H581 | 113.1° | 120.0° |
| C27 | C58 | C60 | H582 | 120.0° | 120.0° |
| C27 | C58 | H581 | H582 | 116.1° | 120.0° |
| C27 | C58 | C60 | C62 | 56.5° | 175.0° |
| C27 | C58 | C60 | C66 | 179.5° | 65.0° |
| C27 | C58 | C60 | H60 | 61.4° | 55.0° |
| H27 | C27 | C29 | N31 | 41.8° | 59.9° |
| H27 | C27 | C29 | O56 | 136.6° | 120.0° |
| H27 | C27 | C58 | C60 | 59.3° | 55.0° |
| H27 | C27 | C58 | H581 | 53.8° | 175.0° |
| H27 | C27 | C58 | H582 | 179.3° | 65.0° |
| C29 | N31 | C33 | HN31 | 180.0° | 179.9° |
| C29 | N31 | C33 | C35 | 179.1° | 84.0° |
| C29 | N31 | C33 | C41 | 35.0° | 156.1° |
| C29 | N31 | C33 | H33 | 61.9° | 36.1° |
| O56 | C29 | N31 | C33 | 44.6° | 0.1° |
| O56 | C29 | N31 | HN31 | 135.4° | 180.0° |
| N31 | C33 | C35 | C41 | 152.2° | 119.9° |
| N31 | C33 | C35 | H33 | 95.2° | 120.0° |
| N31 | C33 | C41 | H33 | 87.5° | 120.0° |
| N31 | C33 | C35 | O39 | 97.4° | 65.0° |
| N31 | C33 | C35 | H351 | 27.0° | 55.0° |
| N31 | C33 | C35 | H352 | 142.5° | 175.0° |
| N31 | C33 | C41 | C43 | 33.4° | 64.7° |
| N31 | C33 | C41 | H411 | 127.7° | 55.4° |
| N31 | C33 | C41 | H412 | 86.6° | 175.3° |
| HN31 | N31 | C33 | C35 | 0.9° | 96.0° |
| HN31 | N31 | C33 | C41 | 145.0° | 24.0° |
| HN31 | N31 | C33 | H33 | 118.1° | 144.0° |
| C35 | C33 | C41 | H33 | 123.8° | 120.1° |
| C33 | C35 | O39 | H351 | 124.5° | 120.0° |
| C33 | C35 | O39 | H352 | 120.0° | 120.0° |
| C33 | C35 | H351 | H352 | 123.8° | 119.9° |
| C33 | C35 | O39 | HO39 | 133.8° | 180.0° |
| C35 | C33 | C41 | C43 | 177.9° | 175.3° |
| C35 | C33 | C41 | H411 | 83.6° | 64.6° |
| C35 | C33 | C41 | H412 | 62.1° | 55.4° |
| C41 | C33 | C35 | O39 | 110.3° | 55.0° |
| C41 | C33 | C35 | H351 | 125.3° | 175.0° |
| C41 | C33 | C35 | H352 | 9.7° | 65.1° |
| C33 | C41 | C43 | H411 | 94.3° | 120.1° |
| C33 | C41 | C43 | H412 | 120.0° | 120.0° |
| C33 | C41 | H411 | H412 | 106.9° | 120.0° |
| C33 | C41 | C43 | C45 | 68.7° | 64.0° |
| C33 | C41 | C43 | C51 | 177.4° | 179.0° |
| C33 | C41 | C43 | H43 | 56.0° | 58.5° |
| H33 | C33 | C35 | O39 | 2.2° | 175.0° |
| H33 | C33 | C35 | H351 | 122.2° | 65.0° |
| H33 | C33 | C35 | H352 | 122.2° | 54.9° |
| H33 | C33 | C41 | C43 | 54.1° | 55.3° |
| H33 | C33 | C41 | H411 | 40.2° | 175.4° |
| H33 | C33 | C41 | H412 | 174.1° | 64.7° |
| O39 | C35 | H351 | H352 | 123.7° | 120.0° |
| H351 | C35 | O39 | HO39 | 9.4° | 60.0° |
| H352 | C35 | O39 | HO39 | 106.1° | 60.0° |
| C43 | C41 | H411 | H412 | 107.0° | 120.0° |
| C41 | C43 | C45 | C51 | 121.1° | 118.8° |
| C41 | C43 | C45 | H43 | 118.1° | 122.5° |
| C41 | C43 | C51 | H43 | 118.4° | 122.5° |
| C41 | C43 | C45 | C47 | 144.4° | 143.5° |
| C41 | C43 | C45 | H451 | 93.8° | 25.4° |
| C41 | C43 | C45 | H452 | 24.4° | 98.4° |
| C41 | C43 | C51 | N49 | 132.4° | 134.8° |
| C41 | C43 | C51 | O54 | 48.3° | 44.9° |
| H411 | C41 | C43 | C45 | 25.5° | 175.9° |
| H411 | C41 | C43 | C51 | 88.3° | 60.9° |
| H411 | C41 | C43 | H43 | 150.3° | 61.6° |
| H412 | C41 | C43 | C45 | 171.3° | 55.9° |
| H412 | C41 | C43 | C51 | 57.4° | 59.0° |
| H412 | C41 | C43 | H43 | 63.9° | 178.4° |
| C45 | C43 | C51 | H43 | 124.5° | 118.7° |
| C43 | C45 | C47 | H451 | 121.7° | 118.1° |
| C43 | C45 | C47 | H452 | 120.0° | 118.1° |
| C43 | C45 | H451 | H452 | 121.2° | 123.8° |
| C43 | C45 | C47 | N49 | 23.5° | 25.4° |
| C43 | C45 | C47 | H471 | 98.7° | 144.4° |
| C43 | C45 | C47 | H472 | 143.5° | 93.6° |
| C45 | C43 | C51 | N49 | 15.3° | 16.1° |
| C45 | C43 | C51 | O54 | 165.3° | 163.7° |
| C51 | C43 | C45 | C47 | 23.3° | 24.7° |
| C51 | C43 | C45 | H451 | 145.1° | 93.4° |
| C51 | C43 | C45 | H452 | 96.7° | 142.8° |
| C43 | C51 | N49 | C47 | 0.1° | 0.6° |
| C43 | C51 | N49 | O54 | 179.4° | 179.8° |
| C43 | C51 | N49 | HN49 | 179.9° | 179.5° |
| H43 | C43 | C45 | C47 | 97.5° | 94.0° |
| H43 | C43 | C45 | H451 | 24.3° | 147.9° |
| H43 | C43 | C45 | H452 | 142.5° | 24.1° |
| H43 | C43 | C51 | N49 | 109.2° | 102.6° |
| H43 | C43 | C51 | O54 | 70.1° | 77.6° |
| C47 | C45 | H451 | H452 | 121.3° | 123.8° |
| C45 | C47 | N49 | H471 | 122.2° | 119.0° |
| C45 | C47 | N49 | H472 | 120.0° | 119.0° |
| C45 | C47 | H471 | H472 | 121.6° | 122.0° |
| C45 | C47 | N49 | C51 | 14.9° | 17.2° |
| C45 | C47 | N49 | HN49 | 165.1° | 163.0° |
| H451 | C45 | C47 | N49 | 145.3° | 92.7° |
| H451 | C45 | C47 | H471 | 23.1° | 26.3° |
| H451 | C45 | C47 | H472 | 94.7° | 148.3° |
| H452 | C45 | C47 | N49 | 96.4° | 143.5° |
| H452 | C45 | C47 | H471 | 141.3° | 97.5° |
| H452 | C45 | C47 | H472 | 23.5° | 24.5° |
| N49 | C47 | H471 | H472 | 121.6° | 122.0° |
| C47 | N49 | C51 | HN49 | 180.0° | 179.9° |
| C47 | N49 | C51 | O54 | 179.5° | 179.6° |
| H471 | C47 | N49 | C51 | 107.3° | 136.2° |
| H471 | C47 | N49 | HN49 | 72.7° | 44.0° |
| H472 | C47 | N49 | C51 | 134.9° | 101.9° |
| H472 | C47 | N49 | HN49 | 45.1° | 78.0° |
| HN49 | N49 | C51 | O54 | 0.5° | 0.3° |
| C60 | C58 | H581 | H582 | 116.0° | 120.0° |
| C58 | C60 | C62 | C66 | 122.0° | 120.0° |
| C58 | C60 | C62 | H60 | 119.0° | 120.0° |
| C58 | C60 | C66 | H60 | 119.1° | 120.0° |
| C58 | C60 | C62 | C63 | 179.8° | 180.0° |
| C58 | C60 | C62 | H621 | 60.2° | 60.0° |
| C58 | C60 | C62 | H622 | 60.2° | 59.9° |
| C58 | C60 | C66 | C65 | 179.9° | 180.0° |
| C58 | C60 | C66 | H661 | 60.5° | 60.0° |
| C58 | C60 | C66 | H662 | 60.1° | 60.0° |
| H581 | C58 | C60 | C62 | 56.6° | 55.0° |
| H581 | C58 | C60 | C66 | 66.4° | 175.0° |
| H581 | C58 | C60 | H60 | 174.5° | 65.0° |
| H582 | C58 | C60 | C62 | 176.5° | 65.0° |
| H582 | C58 | C60 | C66 | 60.5° | 55.0° |
| H582 | C58 | C60 | H60 | 58.6° | 175.0° |
| C62 | C60 | C66 | H60 | 117.9° | 120.0° |
| C60 | C62 | C63 | H621 | 119.6° | 119.9° |
| C60 | C62 | C63 | H622 | 120.0° | 120.1° |
| C60 | C62 | H621 | H622 | 119.7° | 120.0° |
| C60 | C62 | C63 | C64 | 56.0° | 60.0° |
| C60 | C62 | C63 | H631 | 63.2° | 60.0° |
| C60 | C62 | C63 | H632 | 176.0° | 180.0° |
| C62 | C60 | C66 | C65 | 56.9° | 60.0° |
| C62 | C60 | C66 | H661 | 62.5° | 60.0° |
| C62 | C60 | C66 | H662 | 176.9° | 180.0° |
| C66 | C60 | C62 | C63 | 58.3° | 60.0° |
| C66 | C60 | C62 | H621 | 177.9° | 180.0° |
| C66 | C60 | C62 | H622 | 61.8° | 60.0° |
| C60 | C66 | C65 | C64 | 53.6° | 59.9° |
| C60 | C66 | C65 | H661 | 119.4° | 120.0° |
| C60 | C66 | C65 | H662 | 120.0° | 120.0° |
| C60 | C66 | C65 | H651 | 65.7° | 60.0° |
| C60 | C66 | C65 | H652 | 173.6° | 180.0° |
| C60 | C66 | H661 | H662 | 119.6° | 120.0° |
| H60 | C60 | C62 | C63 | 60.7° | 60.0° |
| H60 | C60 | C62 | H621 | 58.8° | 60.0° |
| H60 | C60 | C62 | H622 | 179.2° | 180.0° |
| H60 | C60 | C66 | C65 | 61.0° | 60.0° |
| H60 | C60 | C66 | H661 | 179.6° | 180.0° |
| H60 | C60 | C66 | H662 | 59.0° | 60.0° |
| C63 | C62 | H621 | H622 | 119.7° | 120.0° |
| C62 | C63 | C64 | H631 | 119.3° | 120.0° |
| C62 | C63 | C64 | H632 | 120.0° | 119.9° |
| C62 | C63 | H631 | H632 | 119.6° | 120.0° |
| C62 | C63 | C64 | C65 | 53.9° | 60.0° |
| C62 | C63 | C64 | H641 | 172.4° | 180.0° |
| C62 | C63 | C64 | H642 | 66.1° | 60.0° |
| H621 | C62 | C63 | C64 | 175.6° | 180.0° |
| H621 | C62 | C63 | H631 | 56.3° | 60.0° |
| H621 | C62 | C63 | H632 | 64.4° | 60.1° |
| H622 | C62 | C63 | C64 | 64.0° | 60.0° |
| H622 | C62 | C63 | H631 | 176.8° | 180.0° |
| H622 | C62 | C63 | H632 | 56.0° | 59.9° |
| C64 | C63 | H631 | H632 | 119.5° | 120.0° |
| C63 | C64 | C65 | H641 | 118.6° | 120.0° |
| C63 | C64 | C65 | H642 | 120.0° | 120.0° |
| C63 | C64 | H641 | H642 | 119.1° | 120.0° |
| C63 | C64 | C65 | C66 | 52.4° | 59.9° |
| C63 | C64 | C65 | H651 | 66.9° | 60.0° |
| C63 | C64 | C65 | H652 | 172.4° | 180.0° |
| H631 | C63 | C64 | C65 | 65.4° | 60.0° |
| H631 | C63 | C64 | H641 | 53.1° | 60.0° |
| H631 | C63 | C64 | H642 | 174.6° | 180.0° |
| H632 | C63 | C64 | C65 | 173.9° | 179.9° |
| H632 | C63 | C64 | H641 | 67.6° | 60.0° |
| H632 | C63 | C64 | H642 | 53.9° | 59.9° |
| C65 | C64 | H641 | H642 | 119.1° | 120.0° |
| C64 | C65 | C66 | H651 | 119.3° | 120.0° |
| C64 | C65 | C66 | H652 | 120.0° | 120.1° |
| C64 | C65 | H651 | H652 | 119.5° | 120.0° |
| C64 | C65 | C66 | H661 | 65.8° | 60.0° |
| C64 | C65 | C66 | H662 | 173.6° | 180.0° |
| H641 | C64 | C65 | C66 | 171.0° | 180.0° |
| H641 | C64 | C65 | H651 | 51.7° | 60.0° |
| H641 | C64 | C65 | H652 | 69.1° | 59.9° |
| H642 | C64 | C65 | C66 | 67.6° | 60.1° |
| H642 | C64 | C65 | H651 | 173.1° | 180.0° |
| H642 | C64 | C65 | H652 | 52.4° | 60.0° |
| C66 | C65 | H651 | H652 | 119.5° | 120.0° |
| C65 | C66 | H661 | H662 | 119.6° | 120.0° |
| H651 | C65 | C66 | H661 | 174.9° | 180.0° |
| H651 | C65 | C66 | H662 | 54.3° | 60.0° |
| H652 | C65 | C66 | H661 | 54.2° | 60.0° |
| H652 | C65 | C66 | H662 | 66.4° | 60.0° |
| C77 | C75 | O79 | H75 | 131.0° | 120.0° |
| C75 | C77 | H771 | H772 | 120.0° | 120.0° |
| C75 | C77 | H771 | H773 | 120.0° | 119.9° |
| C75 | C77 | H772 | H773 | 120.1° | 120.0° |
| C77 | C75 | O79 | C81 | 115.2° | 100.0° |
| O79 | C75 | C77 | H771 | 91.5° | 61.2° |
| O79 | C75 | C77 | H772 | 28.5° | 178.7° |
| O79 | C75 | C77 | H773 | 148.6° | 58.7° |
| C75 | O79 | C81 | C83 | 61.0° | 56.9° |
| C75 | O79 | C81 | C85 | 61.6° | 176.9° |
| C75 | O79 | C81 | C87 | 179.6° | 63.1° |
| H75 | C75 | C77 | H771 | 27.5° | 58.8° |
| H75 | C75 | C77 | H772 | 147.5° | 61.3° |
| H75 | C75 | C77 | H773 | 92.5° | 178.7° |
| H75 | C75 | O79 | C81 | 15.8° | 20.0° |
| H771 | C77 | H772 | H773 | 120.0° | 120.0° |
| O79 | C81 | C83 | C85 | 123.8° | 120.0° |
| O79 | C81 | C83 | C87 | 119.6° | 120.0° |
| O79 | C81 | C85 | C87 | 117.3° | 120.0° |
| O79 | C81 | C83 | H831 | 42.0° | 63.2° |
| O79 | C81 | C83 | H832 | 162.0° | 176.8° |
| O79 | C81 | C83 | H833 | 78.0° | 56.8° |
| O79 | C81 | C85 | H851 | 6.3° | 60.0° |
| O79 | C81 | C85 | H852 | 126.3° | 180.0° |
| O79 | C81 | C85 | H853 | 113.7° | 60.0° |
| O79 | C81 | C87 | H871 | 42.8° | 67.9° |
| O79 | C81 | C87 | H872 | 162.8° | 172.2° |
| O79 | C81 | C87 | H873 | 77.2° | 52.2° |
| C83 | C81 | C85 | C87 | 115.7° | 120.0° |
| C81 | C83 | H831 | H832 | 120.0° | 120.0° |
| C81 | C83 | H831 | H833 | 120.0° | 120.0° |
| C81 | C83 | H832 | H833 | 120.0° | 120.0° |
| C83 | C81 | C85 | H851 | 133.3° | 180.0° |
| C83 | C81 | C85 | H852 | 106.7° | 59.9° |
| C83 | C81 | C85 | H853 | 13.3° | 60.0° |
| C83 | C81 | C87 | H871 | 81.9° | 52.1° |
| C83 | C81 | C87 | H872 | 38.1° | 67.8° |
| C83 | C81 | C87 | H873 | 158.1° | 172.2° |
| C85 | C81 | C83 | H831 | 81.9° | 56.8° |
| C85 | C81 | C83 | H832 | 38.1° | 63.2° |
| C85 | C81 | C83 | H833 | 158.2° | 176.8° |
| C81 | C85 | H851 | H852 | 120.0° | 120.0° |
| C81 | C85 | H851 | H853 | 120.0° | 119.9° |
| C81 | C85 | H852 | H853 | 120.0° | 119.9° |
| C85 | C81 | C87 | H871 | 161.9° | 172.2° |
| C85 | C81 | C87 | H872 | 78.1° | 52.2° |
| C85 | C81 | C87 | H873 | 41.9° | 67.8° |
| C87 | C81 | C83 | H831 | 161.5° | 176.8° |
| C87 | C81 | C83 | H832 | 78.5° | 56.8° |
| C87 | C81 | C83 | H833 | 41.6° | 63.2° |
| C87 | C81 | C85 | H851 | 111.0° | 60.0° |
| C87 | C81 | C85 | H852 | 9.0° | 60.1° |
| C87 | C81 | C85 | H853 | 129.0° | 180.0° |
| C81 | C87 | H871 | H872 | 120.0° | 120.0° |
| C81 | C87 | H871 | H873 | 120.1° | 120.0° |
| C81 | C87 | H872 | H873 | 120.0° | 120.0° |
| H831 | C83 | H832 | H833 | 120.0° | 120.0° |
| H851 | C85 | H852 | H853 | 120.0° | 120.1° |
| H871 | C87 | H872 | H873 | 120.0° | 120.1° |
