X7G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAK | NBA | sing | 1.47Å | 1.46Å | |
| CAK | CAU | sing | 1.51Å | 1.53Å | |
| CAL | NBA | sing | 1.47Å | 1.44Å | |
| CAL | CAZ | sing | 1.54Å | 1.50Å | |
| CAA | CAT | sing | 1.51Å | 1.51Å | |
| NBA | CAM | sing | 1.47Å | 1.43Å | |
| CAU | CAT | sing | 1.40Å | 1.36Å | Aromatic |
| CAU | CAJ | doub | 1.35Å | 1.31Å | Aromatic |
| CAT | NAN | doub | 1.31Å | 1.30Å | Aromatic |
| CAZ | OAC | sing | 1.43Å | 1.39Å | |
| CAZ | CAM | sing | 1.54Å | 1.50Å | |
| CAJ | NBC | sing | 1.36Å | 1.31Å | Aromatic |
| NAN | NBC | sing | 1.40Å | 1.21Å | Aromatic |
| NBC | C4 | sing | 1.39Å | 1.33Å | |
| CAH | NAQ | doub | 1.30Å | 1.33Å | Aromatic |
| CAH | CAX | sing | 1.46Å | 1.31Å | Aromatic |
| NAQ | NBB | sing | 1.40Å | 1.20Å | Aromatic |
| CAX | CAI | sing | 1.40Å | 1.38Å | Aromatic |
| CAX | CAY | doub | 1.41Å | 1.35Å | Aromatic |
| C4 | N3 | doub | 1.33Å | 1.32Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.37Å | Aromatic |
| NBB | CAB | sing | 1.46Å | 1.37Å | |
| NBB | CAY | sing | 1.37Å | 1.29Å | Aromatic |
| CAI | CAS | doub | 1.38Å | 1.38Å | Aromatic |
| N3 | C2 | sing | 1.32Å | 1.31Å | Aromatic |
| CAY | CAG | sing | 1.39Å | 1.35Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.38Å | Aromatic |
| CAS | NAO | sing | 1.40Å | 1.33Å | |
| CAS | CAF | sing | 1.39Å | 1.38Å | Aromatic |
| C2 | NAO | sing | 1.38Å | 1.31Å | |
| C2 | N1 | doub | 1.33Å | 1.31Å | Aromatic |
| CAG | CAF | doub | 1.37Å | 1.36Å | Aromatic |
| C6 | N1 | sing | 1.32Å | 1.29Å | Aromatic |
| C5 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| CAB | H3 | sing | 1.09Å | 1.10Å | |
| CAB | H4 | sing | 1.09Å | 1.10Å | |
| CAB | H5 | sing | 1.09Å | 1.10Å | |
| CAH | H6 | sing | 1.08Å | 1.08Å | |
| CAI | H7 | sing | 1.08Å | 1.08Å | |
| CAG | H8 | sing | 1.08Å | 1.08Å | |
| CAF | H9 | sing | 1.08Å | 1.08Å | |
| NAO | H10 | sing | 0.97Å | 1.00Å | |
| CAJ | H11 | sing | 1.08Å | 1.08Å | |
| CAA | H12 | sing | 1.09Å | 1.10Å | |
| CAA | H13 | sing | 1.09Å | 1.10Å | |
| CAA | H14 | sing | 1.09Å | 1.10Å | |
| CAK | H15 | sing | 1.09Å | 1.10Å | |
| CAK | H16 | sing | 1.09Å | 1.10Å | |
| CAM | H18 | sing | 1.09Å | 1.10Å | |
| CAM | H19 | sing | 1.09Å | 1.10Å | |
| CAL | H20 | sing | 1.09Å | 1.10Å | |
| CAL | H21 | sing | 1.09Å | 1.10Å | |
| CAZ | H22 | sing | 1.09Å | 1.10Å | |
| OAC | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NBA | CAK | CAU | 108.2° | 109.5° |
| CAK | NBA | CAL | 117.8° | 111.0° |
| CAK | NBA | CAM | 114.6° | 111.0° |
| NBA | CAK | H15 | 109.8° | 109.5° |
| NBA | CAK | H16 | 109.8° | 109.4° |
| CAK | CAU | CAT | 129.6° | 126.0° |
| CAK | CAU | CAJ | 126.7° | 126.0° |
| CAU | CAK | H15 | 109.8° | 109.5° |
| CAU | CAK | H16 | 109.8° | 109.5° |
| NBA | CAL | CAZ | 86.7° | 87.9° |
| CAL | NBA | CAM | 88.0° | 87.8° |
| NBA | CAL | H20 | 114.8° | 113.5° |
| NBA | CAL | H21 | 114.8° | 113.5° |
| CAL | CAZ | OAC | 111.3° | 114.2° |
| CAL | CAZ | CAM | 83.5° | 83.5° |
| CAZ | CAL | H20 | 114.8° | 113.4° |
| CAZ | CAL | H21 | 114.8° | 113.5° |
| CAL | CAZ | H22 | 114.5° | 114.2° |
| CAA | CAT | CAU | 125.4° | 125.8° |
| CAA | CAT | NAN | 125.9° | 125.8° |
| CAT | CAA | H12 | 109.5° | 109.5° |
| CAT | CAA | H13 | 109.5° | 109.5° |
| CAT | CAA | H14 | 109.5° | 109.5° |
| NBA | CAM | CAZ | 86.8° | 88.0° |
| NBA | CAM | H18 | 114.8° | 113.5° |
| NBA | CAM | H19 | 114.8° | 113.5° |
| CAT | CAU | CAJ | 103.7° | 107.9° |
| CAU | CAT | NAN | 108.7° | 108.4° |
| CAU | CAJ | NBC | 107.7° | 107.7° |
| CAU | CAJ | H11 | 126.2° | 126.2° |
| CAT | NAN | NBC | 107.7° | 108.2° |
| OAC | CAZ | CAM | 112.0° | 114.2° |
| OAC | CAZ | H22 | 116.6° | 113.3° |
| CAZ | OAC | H23 | 109.5° | 114.0° |
| CAZ | CAM | H18 | 114.8° | 113.5° |
| CAZ | CAM | H19 | 114.8° | 113.5° |
| CAM | CAZ | H22 | 114.4° | 114.3° |
| CAJ | NBC | NAN | 112.0° | 107.7° |
| CAJ | NBC | C4 | 124.6° | 126.1° |
| NBC | CAJ | H11 | 126.1° | 126.2° |
| NAN | NBC | C4 | 122.9° | 126.1° |
| NBC | C4 | N3 | 120.8° | 120.5° |
| NBC | C4 | C5 | 121.4° | 120.5° |
| NAQ | CAH | CAX | 110.2° | 107.8° |
| CAH | NAQ | NBB | 106.8° | 110.1° |
| NAQ | CAH | H6 | 124.9° | 126.1° |
| CAH | CAX | CAI | 135.4° | 133.9° |
| CAH | CAX | CAY | 102.8° | 106.4° |
| CAX | CAH | H6 | 124.9° | 126.1° |
| NAQ | NBB | CAB | 124.1° | 125.5° |
| NAQ | NBB | CAY | 112.5° | 109.0° |
| CAI | CAX | CAY | 121.8° | 119.7° |
| CAX | CAI | CAS | 119.3° | 119.4° |
| CAX | CAI | H7 | 120.4° | 120.3° |
| CAX | CAY | NBB | 107.8° | 106.7° |
| CAX | CAY | CAG | 120.2° | 119.7° |
| N3 | C4 | C5 | 117.6° | 119.0° |
| C4 | N3 | C2 | 122.6° | 120.7° |
| C4 | C5 | C6 | 118.3° | 118.5° |
| C4 | C5 | H1 | 120.9° | 120.7° |
| CAB | NBB | CAY | 123.5° | 125.5° |
| NBB | CAB | H3 | 109.5° | 109.4° |
| NBB | CAB | H4 | 109.5° | 109.5° |
| NBB | CAB | H5 | 109.5° | 109.5° |
| NBB | CAY | CAG | 132.1° | 133.6° |
| CAI | CAS | NAO | 127.0° | 119.8° |
| CAI | CAS | CAF | 116.8° | 120.4° |
| CAS | CAI | H7 | 120.3° | 120.3° |
| N3 | C2 | NAO | 122.5° | 119.2° |
| N3 | C2 | N1 | 119.9° | 121.6° |
| CAY | CAG | CAF | 118.6° | 120.1° |
| CAY | CAG | H8 | 120.7° | 120.0° |
| C5 | C6 | N1 | 119.8° | 119.2° |
| C6 | C5 | H1 | 120.9° | 120.8° |
| C5 | C6 | H2 | 120.1° | 120.3° |
| NAO | CAS | CAF | 116.2° | 119.8° |
| CAS | NAO | C2 | 130.4° | 120.0° |
| CAS | NAO | H10 | 114.8° | 120.0° |
| CAS | CAF | CAG | 123.4° | 120.7° |
| CAS | CAF | H9 | 118.3° | 119.7° |
| NAO | C2 | N1 | 117.6° | 119.2° |
| C2 | NAO | H10 | 114.8° | 120.0° |
| C2 | N1 | C6 | 121.8° | 120.9° |
| CAF | CAG | H8 | 120.7° | 119.9° |
| CAG | CAF | H9 | 118.3° | 119.6° |
| N1 | C6 | H2 | 120.1° | 120.4° |
| H3 | CAB | H4 | 109.4° | 109.5° |
| H3 | CAB | H5 | 109.5° | 109.5° |
| H4 | CAB | H5 | 109.5° | 109.5° |
| H12 | CAA | H13 | 109.5° | 109.5° |
| H12 | CAA | H14 | 109.5° | 109.5° |
| H13 | CAA | H14 | 109.5° | 109.4° |
| H15 | CAK | H16 | 109.4° | 109.5° |
| H18 | CAM | H19 | 109.5° | 112.7° |
| H20 | CAL | H21 | 109.5° | 112.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NBA | CAK | CAU | H15 | 119.8° | 120.0° |
| NBA | CAK | CAU | H16 | 119.8° | 120.0° |
| CAK | NBA | CAL | CAM | 116.8° | 111.7° |
| CAK | NBA | CAL | CAZ | 146.1° | 138.7° |
| NBA | CAK | CAU | CAT | 91.4° | 79.9° |
| NBA | CAK | CAU | CAJ | 86.8° | 100.0° |
| CAK | NBA | CAM | CAZ | 148.9° | 138.7° |
| NBA | CAK | H15 | H16 | 120.6° | 119.9° |
| CAK | NBA | CAM | H18 | 33.0° | 23.9° |
| CAK | NBA | CAM | H19 | 95.2° | 106.5° |
| CAK | NBA | CAL | H20 | 98.0° | 106.6° |
| CAK | NBA | CAL | H21 | 30.2° | 24.0° |
| CAU | CAK | NBA | CAL | 166.1° | 94.0° |
| CAK | CAU | CAT | CAA | 1.6° | 0.2° |
| CAU | CAK | NBA | CAM | 64.7° | 170.0° |
| CAK | CAU | CAT | CAJ | 178.5° | 180.0° |
| CAK | CAU | CAT | NAN | 177.6° | 180.0° |
| CAK | CAU | CAJ | NBC | 179.8° | 179.8° |
| CAK | CAU | CAJ | H11 | 0.1° | 0.2° |
| CAU | CAK | H15 | H16 | 120.6° | 120.0° |
| NBA | CAL | CAZ | H20 | 115.9° | 114.8° |
| NBA | CAL | CAZ | H21 | 115.9° | 114.8° |
| NBA | CAL | CAZ | OAC | 139.1° | 139.6° |
| NBA | CAL | CAZ | CAM | 28.0° | 26.0° |
| CAL | NBA | CAK | H15 | 46.2° | 26.0° |
| CAL | NBA | CAK | H16 | 74.1° | 146.0° |
| CAL | NBA | CAM | H18 | 86.8° | 87.8° |
| CAL | NBA | CAM | H19 | 145.1° | 141.9° |
| NBA | CAL | H20 | H21 | 130.9° | 130.9° |
| NBA | CAL | CAZ | H22 | 85.9° | 87.8° |
| CAL | CAZ | OAC | CAM | 91.5° | 93.8° |
| CAL | CAZ | OAC | H22 | 133.9° | 133.0° |
| CAL | CAZ | CAM | H22 | 114.0° | 113.6° |
| CAL | CAZ | CAM | H18 | 87.8° | 88.8° |
| CAL | CAZ | CAM | H19 | 144.1° | 140.9° |
| CAZ | CAL | H20 | H21 | 130.9° | 130.7° |
| CAL | CAZ | OAC | H23 | 180.0° | 180.0° |
| CAA | CAT | CAU | NAN | 179.2° | 179.9° |
| CAA | CAT | CAU | CAJ | 179.9° | 179.9° |
| CAA | CAT | NAN | NBC | 177.9° | 180.0° |
| CAT | CAA | H12 | H13 | 120.0° | 120.0° |
| CAT | CAA | H12 | H14 | 120.0° | 120.0° |
| CAT | CAA | H13 | H14 | 120.0° | 120.0° |
| NBA | CAM | CAZ | OAC | 138.6° | 139.6° |
| NBA | CAM | CAZ | H18 | 115.9° | 114.8° |
| NBA | CAM | CAZ | H19 | 115.9° | 114.8° |
| CAM | NBA | CAK | H15 | 55.2° | 70.0° |
| CAM | NBA | CAK | H16 | 175.5° | 50.0° |
| NBA | CAM | H18 | H19 | 130.8° | 130.8° |
| CAM | NBA | CAL | H20 | 145.2° | 141.7° |
| CAM | NBA | CAL | H21 | 86.6° | 87.8° |
| NBA | CAM | CAZ | H22 | 85.8° | 87.6° |
| CAT | CAU | CAJ | NBC | 1.3° | 0.1° |
| CAU | CAT | NAN | NBC | 2.9° | 0.1° |
| CAT | CAU | CAJ | H11 | 178.7° | 179.9° |
| CAU | CAT | CAA | H12 | 179.1° | 90.2° |
| CAU | CAT | CAA | H13 | 60.9° | 29.8° |
| CAU | CAT | CAA | H14 | 59.1° | 149.8° |
| CAT | CAU | CAK | H15 | 148.8° | 160.0° |
| CAT | CAU | CAK | H16 | 28.4° | 40.0° |
| CAJ | CAU | CAT | NAN | 0.9° | 0.0° |
| CAU | CAJ | NBC | H11 | 180.0° | 180.0° |
| CAU | CAJ | NBC | NAN | 3.3° | 0.2° |
| CAU | CAJ | NBC | C4 | 175.2° | 179.9° |
| CAJ | CAU | CAK | H15 | 33.1° | 20.0° |
| CAJ | CAU | CAK | H16 | 153.4° | 140.0° |
| CAT | NAN | NBC | CAJ | 3.8° | 0.2° |
| CAT | NAN | NBC | C4 | 175.9° | 179.9° |
| NAN | CAT | CAA | H12 | 0.0° | 90.0° |
| NAN | CAT | CAA | H13 | 120.0° | 150.0° |
| NAN | CAT | CAA | H14 | 120.0° | 30.0° |
| OAC | CAZ | CAM | H22 | 135.6° | 132.8° |
| OAC | CAZ | CAM | H18 | 22.6° | 24.8° |
| OAC | CAZ | CAM | H19 | 105.6° | 105.5° |
| OAC | CAZ | CAL | H20 | 105.0° | 105.6° |
| OAC | CAZ | CAL | H21 | 23.2° | 24.8° |
| CAZ | CAM | H18 | H19 | 130.8° | 130.8° |
| CAM | CAZ | CAL | H20 | 143.9° | 140.8° |
| CAM | CAZ | CAL | H21 | 87.9° | 88.8° |
| CAM | CAZ | OAC | H23 | 88.5° | 86.2° |
| CAJ | NBC | NAN | C4 | 172.1° | 179.7° |
| CAJ | NBC | C4 | N3 | 7.6° | 0.0° |
| CAJ | NBC | C4 | C5 | 167.0° | 179.7° |
| NAN | NBC | C4 | N3 | 178.6° | 179.7° |
| NAN | NBC | C4 | C5 | 4.1° | 0.1° |
| NAN | NBC | CAJ | H11 | 176.7° | 179.8° |
| NBC | C4 | N3 | C5 | 174.8° | 179.8° |
| NBC | C4 | N3 | C2 | 175.8° | 179.7° |
| NBC | C4 | C5 | C6 | 176.9° | 179.7° |
| NBC | C4 | C5 | H1 | 3.1° | 0.2° |
| C4 | NBC | CAJ | H11 | 4.8° | 0.1° |
| NAQ | CAH | CAX | H6 | 180.0° | 180.0° |
| NAQ | CAH | CAX | CAI | 178.6° | 180.0° |
| NAQ | CAH | CAX | CAY | 0.1° | 0.3° |
| CAH | NAQ | NBB | CAB | 179.8° | 180.0° |
| CAH | NAQ | NBB | CAY | 0.1° | 0.3° |
| CAX | CAH | NAQ | NBB | 0.2° | 0.0° |
| CAH | CAX | CAI | CAY | 178.2° | 179.7° |
| CAH | CAX | CAY | NBB | 0.1° | 0.4° |
| CAH | CAX | CAI | CAS | 178.8° | 179.9° |
| CAH | CAX | CAY | CAG | 179.5° | 179.7° |
| CAH | CAX | CAI | H7 | 1.2° | 0.0° |
| NAQ | NBB | CAY | CAX | 0.0° | 0.4° |
| NAQ | NBB | CAB | CAY | 179.7° | 179.7° |
| NAQ | NBB | CAY | CAG | 179.5° | 179.8° |
| NAQ | NBB | CAB | H3 | 0.0° | 89.7° |
| NAQ | NBB | CAB | H4 | 120.0° | 30.3° |
| NAQ | NBB | CAB | H5 | 120.0° | 150.3° |
| NBB | NAQ | CAH | H6 | 179.8° | 180.0° |
| CAI | CAX | CAY | NBB | 178.8° | 179.8° |
| CAX | CAI | CAS | H7 | 180.0° | 180.0° |
| CAI | CAX | CAY | CAG | 0.8° | 0.1° |
| CAX | CAI | CAS | NAO | 179.5° | 180.0° |
| CAX | CAI | CAS | CAF | 0.3° | 0.9° |
| CAI | CAX | CAH | H6 | 1.4° | 0.0° |
| CAX | CAY | NBB | CAB | 179.8° | 179.8° |
| CAX | CAY | NBB | CAG | 179.5° | 179.8° |
| CAY | CAX | CAI | CAS | 0.6° | 0.3° |
| CAX | CAY | CAG | CAF | 0.6° | 0.2° |
| CAY | CAX | CAH | H6 | 179.8° | 179.7° |
| CAY | CAX | CAI | H7 | 179.4° | 179.7° |
| CAX | CAY | CAG | H8 | 179.4° | 179.8° |
| N3 | C4 | C5 | C6 | 2.1° | 0.0° |
| C4 | N3 | C2 | NAO | 177.9° | 180.0° |
| C4 | N3 | C2 | N1 | 0.7° | 0.0° |
| N3 | C4 | C5 | H1 | 177.9° | 180.0° |
| C5 | C4 | N3 | C2 | 1.1° | 0.0° |
| C4 | C5 | C6 | H1 | 180.0° | 180.0° |
| C4 | C5 | C6 | N1 | 1.5° | 0.0° |
| C4 | C5 | C6 | H2 | 178.5° | 180.0° |
| CAB | NBB | CAY | CAG | 0.7° | 0.0° |
| NBB | CAB | H3 | H4 | 120.0° | 120.0° |
| NBB | CAB | H3 | H5 | 120.0° | 120.0° |
| NBB | CAB | H4 | H5 | 120.0° | 120.0° |
| NBB | CAY | CAG | CAF | 178.8° | 180.0° |
| CAY | NBB | CAB | H3 | 179.7° | 90.0° |
| CAY | NBB | CAB | H4 | 59.7° | 150.0° |
| CAY | NBB | CAB | H5 | 60.3° | 30.0° |
| NBB | CAY | CAG | H8 | 1.2° | 0.0° |
| CAI | CAS | NAO | CAF | 179.8° | 179.1° |
| CAI | CAS | NAO | C2 | 2.2° | 146.5° |
| CAI | CAS | CAF | CAG | 0.1° | 1.2° |
| CAI | CAS | CAF | H9 | 179.9° | 179.6° |
| CAI | CAS | NAO | H10 | 177.9° | 33.5° |
| N3 | C2 | NAO | CAS | 5.7° | 174.5° |
| N3 | C2 | NAO | N1 | 177.3° | 180.0° |
| N3 | C2 | N1 | C6 | 1.4° | 0.0° |
| N3 | C2 | NAO | H10 | 174.3° | 5.5° |
| CAY | CAG | CAF | CAS | 0.3° | 0.8° |
| CAY | CAG | CAF | H8 | 180.0° | 180.0° |
| CAY | CAG | CAF | H9 | 179.7° | 180.0° |
| C5 | C6 | N1 | C2 | 0.3° | 0.0° |
| C5 | C6 | N1 | H2 | 180.0° | 179.9° |
| CAS | NAO | C2 | H10 | 180.0° | 180.0° |
| CAS | NAO | C2 | N1 | 177.1° | 5.5° |
| NAO | CAS | CAF | CAG | 179.7° | 179.7° |
| NAO | CAS | CAI | H7 | 0.4° | 0.0° |
| NAO | CAS | CAF | H9 | 0.3° | 0.5° |
| CAF | CAS | NAO | C2 | 177.7° | 34.4° |
| CAS | CAF | CAG | H9 | 180.0° | 179.2° |
| CAF | CAS | CAI | H7 | 179.7° | 179.1° |
| CAS | CAF | CAG | H8 | 179.7° | 179.2° |
| CAF | CAS | NAO | H10 | 2.3° | 145.6° |
| NAO | C2 | N1 | C6 | 178.7° | 179.9° |
| C2 | N1 | C6 | H2 | 179.7° | 179.9° |
| N1 | C2 | NAO | H10 | 3.0° | 174.5° |
| N1 | C6 | C5 | H1 | 178.5° | 180.0° |
| H1 | C5 | C6 | H2 | 1.5° | 0.1° |
| H3 | CAB | H4 | H5 | 120.0° | 120.0° |
| H8 | CAG | CAF | H9 | 0.3° | 0.0° |
| H12 | CAA | H13 | H14 | 120.0° | 120.0° |
| H18 | CAM | CAZ | H22 | 158.2° | 157.6° |
| H19 | CAM | CAZ | H22 | 30.0° | 27.2° |
| H20 | CAL | CAZ | H22 | 29.9° | 27.0° |
| H21 | CAL | CAZ | H22 | 158.2° | 157.4° |
| H22 | CAZ | OAC | H23 | 46.0° | 47.1° |
