9YN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD2 | CG1 | sing | 1.53Å | 1.53Å | |
| CG1 | CB | sing | 1.53Å | 1.53Å | |
| CG1 | CD1 | sing | 1.53Å | 1.53Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| O | C | doub | 1.21Å | 1.22Å | |
| CA | N | sing | 1.47Å | 1.48Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| OAL | CAK | sing | 1.43Å | 1.43Å | |
| C | NAI | sing | 1.35Å | 1.34Å | |
| CAK | CAJ | sing | 1.54Å | 1.52Å | |
| CAK | CAM | sing | 1.55Å | 1.53Å | |
| NAI | CAJ | sing | 1.46Å | 1.46Å | |
| CAJ | CAQ | sing | 1.54Å | 1.53Å | |
| CAM | CAN | sing | 1.53Å | 1.53Å | |
| CAM | OAP | sing | 1.44Å | 1.43Å | |
| CAN | OAO | sing | 1.43Å | 1.43Å | |
| CAQ | OAP | sing | 1.44Å | 1.43Å | |
| CAQ | N9 | sing | 1.47Å | 1.49Å | |
| C8 | N9 | sing | 1.36Å | 1.35Å | Aromatic |
| C8 | N7 | doub | 1.30Å | 1.35Å | Aromatic |
| N9 | C4 | sing | 1.37Å | 1.33Å | Aromatic |
| N7 | C5 | sing | 1.35Å | 1.34Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.47Å | Aromatic |
| C4 | N3 | sing | 1.33Å | 1.36Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.48Å | Aromatic |
| N3 | C2 | doub | 1.32Å | 1.48Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.35Å | |
| C6 | N1 | doub | 1.33Å | 1.36Å | Aromatic |
| C2 | N1 | sing | 1.32Å | 1.48Å | Aromatic |
| CA | H1 | sing | 1.09Å | 1.10Å | |
| CB | H2 | sing | 1.09Å | 1.10Å | |
| CB | H3 | sing | 1.09Å | 1.10Å | |
| CG1 | H4 | sing | 1.09Å | 1.10Å | |
| CD1 | H5 | sing | 1.09Å | 1.10Å | |
| CD1 | H6 | sing | 1.09Å | 1.10Å | |
| CD1 | H7 | sing | 1.09Å | 1.10Å | |
| CD2 | H8 | sing | 1.09Å | 1.10Å | |
| CD2 | H9 | sing | 1.09Å | 1.10Å | |
| CD2 | H10 | sing | 1.09Å | 1.10Å | |
| N | H11 | sing | 1.01Å | 1.00Å | |
| N | H12 | sing | 1.01Å | 1.00Å | |
| NAI | H14 | sing | 0.97Å | 1.00Å | |
| CAJ | H15 | sing | 1.09Å | 1.10Å | |
| CAK | H16 | sing | 1.09Å | 1.10Å | |
| OAL | H17 | sing | 0.97Å | 0.95Å | |
| CAM | H18 | sing | 1.09Å | 1.10Å | |
| CAN | H19 | sing | 1.09Å | 1.10Å | |
| CAN | H20 | sing | 1.09Å | 1.10Å | |
| OAO | H21 | sing | 0.97Å | 0.95Å | |
| CAQ | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.08Å | 1.08Å | |
| N6 | H24 | sing | 0.97Å | 1.00Å | |
| N6 | H25 | sing | 0.97Å | 1.00Å | |
| C2 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD2 | CG1 | CB | 111.1° | 109.4° |
| CD2 | CG1 | CD1 | 113.1° | 109.5° |
| CD2 | CG1 | H4 | 107.3° | 109.4° |
| CG1 | CD2 | H8 | 109.5° | 109.5° |
| CG1 | CD2 | H9 | 109.5° | 109.5° |
| CG1 | CD2 | H10 | 109.4° | 109.4° |
| CB | CG1 | CD1 | 110.5° | 109.5° |
| CG1 | CB | CA | 112.3° | 109.5° |
| CG1 | CB | H2 | 108.8° | 109.4° |
| CG1 | CB | H3 | 108.8° | 109.5° |
| CB | CG1 | H4 | 107.3° | 109.5° |
| CD1 | CG1 | H4 | 107.3° | 109.5° |
| CG1 | CD1 | H5 | 109.5° | 109.4° |
| CG1 | CD1 | H6 | 109.5° | 109.5° |
| CG1 | CD1 | H7 | 109.4° | 109.5° |
| CB | CA | N | 109.1° | 109.5° |
| CB | CA | C | 112.1° | 109.5° |
| CB | CA | H1 | 108.4° | 109.4° |
| CA | CB | H2 | 108.8° | 109.4° |
| CA | CB | H3 | 108.7° | 109.5° |
| O | C | CA | 120.1° | 120.0° |
| O | C | NAI | 124.3° | 120.0° |
| N | CA | C | 109.3° | 109.5° |
| N | CA | H1 | 109.1° | 109.5° |
| CA | N | H11 | 109.5° | 111.0° |
| CA | N | H12 | 109.4° | 111.0° |
| CA | C | NAI | 115.6° | 120.0° |
| C | CA | H1 | 108.8° | 109.5° |
| OAL | CAK | CAJ | 113.5° | 110.5° |
| OAL | CAK | CAM | 110.2° | 110.5° |
| OAL | CAK | H16 | 109.9° | 110.5° |
| CAK | OAL | H17 | 109.5° | 114.0° |
| C | NAI | CAJ | 123.8° | 120.0° |
| C | NAI | H14 | 118.1° | 120.0° |
| CAJ | CAK | CAM | 106.0° | 104.1° |
| CAK | CAJ | NAI | 111.5° | 110.5° |
| CAK | CAJ | CAQ | 106.0° | 104.1° |
| CAK | CAJ | H15 | 110.5° | 110.6° |
| CAJ | CAK | H16 | 108.6° | 110.6° |
| CAK | CAM | CAN | 112.6° | 110.4° |
| CAK | CAM | OAP | 108.0° | 104.8° |
| CAM | CAK | H16 | 108.6° | 110.5° |
| CAK | CAM | H18 | 108.5° | 110.3° |
| NAI | CAJ | CAQ | 106.7° | 110.5° |
| CAJ | NAI | H14 | 118.1° | 120.0° |
| NAI | CAJ | H15 | 111.4° | 110.5° |
| CAJ | CAQ | OAP | 107.7° | 104.8° |
| CAJ | CAQ | N9 | 112.9° | 110.4° |
| CAQ | CAJ | H15 | 110.5° | 110.5° |
| CAJ | CAQ | H22 | 108.6° | 110.3° |
| CAN | CAM | OAP | 109.4° | 110.4° |
| CAM | CAN | OAO | 109.5° | 109.5° |
| CAN | CAM | H18 | 108.5° | 110.3° |
| CAM | CAN | H19 | 109.5° | 109.5° |
| CAM | CAN | H20 | 109.5° | 109.5° |
| CAM | OAP | CAQ | 112.0° | 105.3° |
| OAP | CAM | H18 | 109.8° | 110.5° |
| OAO | CAN | H19 | 109.5° | 109.4° |
| OAO | CAN | H20 | 109.5° | 109.5° |
| CAN | OAO | H21 | 109.5° | 114.0° |
| OAP | CAQ | N9 | 108.6° | 110.4° |
| OAP | CAQ | H22 | 110.0° | 110.4° |
| CAQ | N9 | C8 | 127.2° | 126.3° |
| CAQ | N9 | C4 | 124.1° | 126.3° |
| N9 | CAQ | H22 | 109.1° | 110.5° |
| N9 | C8 | N7 | 110.9° | 110.0° |
| C8 | N9 | C4 | 108.7° | 107.5° |
| N9 | C8 | H23 | 124.6° | 125.1° |
| C8 | N7 | C5 | 107.8° | 109.4° |
| N7 | C8 | H23 | 124.5° | 125.0° |
| N9 | C4 | C5 | 106.1° | 106.0° |
| N9 | C4 | N3 | 133.9° | 134.9° |
| N7 | C5 | C4 | 106.6° | 107.2° |
| N7 | C5 | C6 | 134.8° | 134.7° |
| C5 | C4 | N3 | 120.0° | 119.1° |
| C4 | C5 | C6 | 118.6° | 118.1° |
| C4 | N3 | C2 | 123.1° | 120.7° |
| C5 | C6 | N6 | 119.8° | 120.8° |
| C5 | C6 | N1 | 119.3° | 118.5° |
| N3 | C2 | N1 | 115.2° | 122.4° |
| N3 | C2 | H26 | 122.4° | 118.8° |
| N6 | C6 | N1 | 120.9° | 120.7° |
| C6 | N6 | H24 | 109.5° | 120.0° |
| C6 | N6 | H25 | 109.5° | 120.0° |
| C6 | N1 | C2 | 123.8° | 121.2° |
| N1 | C2 | H26 | 122.4° | 118.8° |
| H2 | CB | H3 | 109.5° | 109.5° |
| H5 | CD1 | H6 | 109.4° | 109.5° |
| H5 | CD1 | H7 | 109.5° | 109.4° |
| H6 | CD1 | H7 | 109.5° | 109.5° |
| H8 | CD2 | H9 | 109.5° | 109.5° |
| H8 | CD2 | H10 | 109.5° | 109.5° |
| H9 | CD2 | H10 | 109.5° | 109.5° |
| H11 | N | H12 | 109.5° | 111.0° |
| H19 | CAN | H20 | 109.4° | 109.5° |
| H24 | N6 | H25 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD2 | CG1 | CB | CD1 | 126.4° | 120.0° |
| CD2 | CG1 | CB | H4 | 116.9° | 119.9° |
| CD2 | CG1 | CD1 | H4 | 118.1° | 119.9° |
| CD2 | CG1 | CB | CA | 170.5° | 65.0° |
| CD2 | CG1 | CB | H2 | 69.1° | 175.1° |
| CD2 | CG1 | CB | H3 | 50.0° | 55.0° |
| CD2 | CG1 | CD1 | H5 | 180.0° | 60.1° |
| CD2 | CG1 | CD1 | H6 | 60.0° | 60.0° |
| CD2 | CG1 | CD1 | H7 | 60.0° | 180.0° |
| CG1 | CD2 | H8 | H9 | 120.0° | 120.0° |
| CG1 | CD2 | H8 | H10 | 120.0° | 119.9° |
| CG1 | CD2 | H9 | H10 | 120.0° | 120.0° |
| CB | CG1 | CD1 | H4 | 116.6° | 120.1° |
| CG1 | CB | CA | H2 | 120.4° | 119.9° |
| CG1 | CB | CA | H3 | 120.4° | 120.0° |
| CG1 | CB | CA | N | 131.4° | 65.0° |
| CG1 | CB | CA | C | 107.4° | 175.0° |
| CG1 | CB | CA | H1 | 12.7° | 55.0° |
| CG1 | CB | H2 | H3 | 118.7° | 120.0° |
| CB | CG1 | CD1 | H5 | 54.7° | 59.9° |
| CB | CG1 | CD1 | H6 | 174.7° | 180.0° |
| CB | CG1 | CD1 | H7 | 65.3° | 60.0° |
| CB | CG1 | CD2 | H8 | 180.0° | 60.0° |
| CB | CG1 | CD2 | H9 | 60.0° | 180.0° |
| CB | CG1 | CD2 | H10 | 60.0° | 60.0° |
| CD1 | CG1 | CB | CA | 63.1° | 175.0° |
| CD1 | CG1 | CB | H2 | 57.3° | 55.0° |
| CD1 | CG1 | CB | H3 | 176.4° | 65.0° |
| CG1 | CD1 | H5 | H6 | 120.0° | 120.0° |
| CG1 | CD1 | H5 | H7 | 120.0° | 120.0° |
| CG1 | CD1 | H6 | H7 | 120.0° | 120.0° |
| CD1 | CG1 | CD2 | H8 | 55.1° | 180.0° |
| CD1 | CG1 | CD2 | H9 | 175.1° | 60.0° |
| CD1 | CG1 | CD2 | H10 | 64.9° | 60.1° |
| CB | CA | C | O | 58.4° | 100.0° |
| CB | CA | N | C | 122.9° | 120.0° |
| CB | CA | N | H1 | 118.3° | 120.0° |
| CB | CA | C | H1 | 119.9° | 119.9° |
| CB | CA | C | NAI | 122.6° | 79.7° |
| CA | CB | H2 | H3 | 118.7° | 120.1° |
| CA | CB | CG1 | H4 | 53.5° | 54.9° |
| CB | CA | N | H11 | 180.0° | 60.0° |
| CB | CA | N | H12 | 60.0° | 64.0° |
| O | C | CA | N | 62.7° | 20.0° |
| O | C | CA | NAI | 179.0° | 179.7° |
| O | C | NAI | CAJ | 0.1° | 0.0° |
| O | C | CA | H1 | 178.2° | 140.1° |
| O | C | NAI | H14 | 180.0° | 180.0° |
| N | CA | C | H1 | 119.0° | 120.0° |
| N | CA | C | NAI | 116.3° | 160.3° |
| N | CA | CB | H2 | 108.2° | 54.9° |
| N | CA | CB | H3 | 11.0° | 175.0° |
| CA | N | H11 | H12 | 120.0° | 123.9° |
| CA | C | NAI | CAJ | 178.9° | 179.7° |
| C | CA | CB | H2 | 13.0° | 65.1° |
| C | CA | CB | H3 | 132.2° | 55.0° |
| C | CA | N | H11 | 57.1° | 60.0° |
| C | CA | N | H12 | 62.9° | 176.0° |
| CA | C | NAI | H14 | 1.1° | 0.3° |
| OAL | CAK | CAJ | CAM | 121.1° | 118.6° |
| OAL | CAK | CAJ | H16 | 122.4° | 122.7° |
| OAL | CAK | CAM | H16 | 120.4° | 122.6° |
| OAL | CAK | CAJ | NAI | 10.6° | 0.0° |
| OAL | CAK | CAJ | CAQ | 126.4° | 118.6° |
| OAL | CAK | CAM | CAN | 112.0° | 98.5° |
| OAL | CAK | CAM | OAP | 127.1° | 142.6° |
| OAL | CAK | CAJ | H15 | 113.9° | 122.7° |
| OAL | CAK | CAM | H18 | 8.1° | 23.7° |
| C | NAI | CAJ | CAK | 100.0° | 90.3° |
| C | NAI | CAJ | H14 | 180.0° | 180.0° |
| C | NAI | CAJ | CAQ | 144.6° | 155.0° |
| NAI | C | CA | H1 | 2.8° | 40.3° |
| C | NAI | CAJ | H15 | 24.0° | 32.4° |
| CAJ | CAK | CAM | H16 | 116.5° | 118.7° |
| CAK | CAJ | NAI | CAQ | 115.4° | 114.7° |
| CAK | CAJ | NAI | H15 | 124.0° | 122.8° |
| CAK | CAJ | CAQ | H15 | 119.8° | 118.8° |
| CAJ | CAK | CAM | CAN | 124.8° | 142.8° |
| CAJ | CAK | CAM | OAP | 3.9° | 24.0° |
| CAK | CAJ | CAQ | OAP | 4.9° | 24.0° |
| CAK | CAJ | CAQ | N9 | 114.9° | 142.8° |
| CAK | CAJ | NAI | H14 | 80.0° | 89.7° |
| CAJ | CAK | OAL | H17 | 180.0° | 179.9° |
| CAJ | CAK | CAM | H18 | 115.0° | 95.0° |
| CAK | CAJ | CAQ | H22 | 124.0° | 94.9° |
| CAM | CAK | CAJ | NAI | 110.5° | 118.7° |
| CAM | CAK | CAJ | CAQ | 5.3° | 0.0° |
| CAK | CAM | CAN | OAP | 120.1° | 115.4° |
| CAK | CAM | CAN | H18 | 120.1° | 122.2° |
| CAK | CAM | OAP | H18 | 118.1° | 118.8° |
| CAK | CAM | CAN | OAO | 161.6° | 175.0° |
| CAK | CAM | OAP | CAQ | 0.8° | 40.5° |
| CAM | CAK | CAJ | H15 | 125.0° | 118.7° |
| CAM | CAK | OAL | H17 | 61.3° | 65.3° |
| CAK | CAM | CAN | H19 | 41.6° | 55.0° |
| CAK | CAM | CAN | H20 | 78.4° | 65.0° |
| NAI | CAJ | CAQ | H15 | 121.2° | 122.5° |
| NAI | CAJ | CAQ | OAP | 114.0° | 142.7° |
| NAI | CAJ | CAQ | N9 | 126.2° | 98.5° |
| NAI | CAJ | CAK | H16 | 133.1° | 122.7° |
| NAI | CAJ | CAQ | H22 | 5.0° | 23.8° |
| CAJ | CAQ | OAP | CAM | 2.6° | 40.5° |
| CAJ | CAQ | OAP | N9 | 122.5° | 118.8° |
| CAJ | CAQ | OAP | H22 | 118.2° | 118.8° |
| CAJ | CAQ | N9 | H22 | 120.9° | 122.3° |
| CAJ | CAQ | N9 | C8 | 38.3° | 94.7° |
| CAJ | CAQ | N9 | C4 | 142.6° | 85.0° |
| CAQ | CAJ | NAI | H14 | 35.4° | 25.0° |
| CAQ | CAJ | CAK | H16 | 111.2° | 118.7° |
| CAN | CAM | OAP | H18 | 119.0° | 122.3° |
| CAM | CAN | OAO | H19 | 120.0° | 120.0° |
| CAM | CAN | OAO | H20 | 120.0° | 120.0° |
| CAN | CAM | OAP | CAQ | 123.7° | 159.3° |
| CAN | CAM | CAK | H16 | 8.3° | 24.1° |
| CAM | CAN | H19 | H20 | 120.0° | 120.0° |
| CAM | CAN | OAO | H21 | 180.0° | 180.0° |
| OAP | CAM | CAN | OAO | 78.3° | 69.6° |
| CAM | OAP | CAQ | N9 | 119.9° | 159.3° |
| OAP | CAM | CAK | H16 | 112.6° | 94.8° |
| OAP | CAM | CAN | H19 | 161.6° | 170.4° |
| OAP | CAM | CAN | H20 | 41.7° | 50.4° |
| CAM | OAP | CAQ | H22 | 120.8° | 78.3° |
| OAO | CAN | CAM | H18 | 41.5° | 52.8° |
| OAO | CAN | H19 | H20 | 120.0° | 120.0° |
| OAP | CAQ | N9 | H22 | 119.8° | 122.4° |
| OAP | CAQ | N9 | C8 | 80.9° | 20.7° |
| OAP | CAQ | N9 | C4 | 98.1° | 159.6° |
| OAP | CAQ | CAJ | H15 | 124.7° | 94.8° |
| CAQ | OAP | CAM | H18 | 117.3° | 78.3° |
| CAQ | N9 | C8 | C4 | 179.2° | 179.8° |
| CAQ | N9 | C8 | N7 | 179.9° | 180.0° |
| CAQ | N9 | C4 | C5 | 179.6° | 179.9° |
| CAQ | N9 | C4 | N3 | 0.9° | 0.0° |
| N9 | CAQ | CAJ | H15 | 4.9° | 24.0° |
| CAQ | N9 | C8 | H23 | 0.1° | 0.0° |
| N9 | C8 | N7 | H23 | 180.0° | 180.0° |
| N9 | C8 | N7 | C5 | 0.7° | 0.0° |
| C8 | N9 | C4 | C5 | 0.4° | 0.4° |
| C8 | N9 | C4 | N3 | 179.9° | 179.7° |
| C8 | N9 | CAQ | H22 | 159.2° | 143.0° |
| N7 | C8 | N9 | C4 | 0.7° | 0.3° |
| C8 | N7 | C5 | C4 | 0.5° | 0.2° |
| C8 | N7 | C5 | C6 | 179.8° | 180.0° |
| N9 | C4 | C5 | N7 | 0.1° | 0.3° |
| N9 | C4 | C5 | N3 | 179.6° | 179.9° |
| N9 | C4 | C5 | C6 | 179.6° | 179.8° |
| N9 | C4 | N3 | C2 | 179.6° | 179.2° |
| C4 | N9 | CAQ | H22 | 21.7° | 37.2° |
| C4 | N9 | C8 | H23 | 179.3° | 179.8° |
| N7 | C5 | C4 | C6 | 179.5° | 179.8° |
| N7 | C5 | C4 | N3 | 179.6° | 179.7° |
| N7 | C5 | C6 | N6 | 0.6° | 0.0° |
| N7 | C5 | C6 | N1 | 179.5° | 180.0° |
| C5 | N7 | C8 | H23 | 179.2° | 180.0° |
| C5 | C4 | N3 | C2 | 0.1° | 0.7° |
| C4 | C5 | C6 | N6 | 179.9° | 179.7° |
| C4 | C5 | C6 | N1 | 0.2° | 0.3° |
| N3 | C4 | C5 | C6 | 0.1° | 0.1° |
| C4 | N3 | C2 | N1 | 0.1° | 1.0° |
| C4 | N3 | C2 | H26 | 179.9° | 179.6° |
| C5 | C6 | N6 | N1 | 179.8° | 180.0° |
| C5 | C6 | N1 | C2 | 0.2° | 0.0° |
| C5 | C6 | N6 | H24 | 179.8° | 0.0° |
| C5 | C6 | N6 | H25 | 59.8° | 180.0° |
| N3 | C2 | N1 | C6 | 0.1° | 0.7° |
| N3 | C2 | N1 | H26 | 180.0° | 179.4° |
| N6 | C6 | N1 | C2 | 179.9° | 180.0° |
| C6 | N6 | H24 | H25 | 120.0° | 180.0° |
| N1 | C6 | N6 | H24 | 0.0° | 180.0° |
| N1 | C6 | N6 | H25 | 120.0° | 0.0° |
| C6 | N1 | C2 | H26 | 179.9° | 180.0° |
| H1 | CA | CB | H2 | 133.1° | 174.9° |
| H1 | CA | CB | H3 | 107.8° | 65.0° |
| H1 | CA | N | H11 | 61.7° | 179.9° |
| H1 | CA | N | H12 | 178.3° | 56.0° |
| H2 | CB | CG1 | H4 | 174.0° | 65.0° |
| H3 | CB | CG1 | H4 | 66.9° | 174.9° |
| H4 | CG1 | CD1 | H5 | 61.9° | 180.0° |
| H4 | CG1 | CD1 | H6 | 58.1° | 59.9° |
| H4 | CG1 | CD1 | H7 | 178.1° | 60.1° |
| H4 | CG1 | CD2 | H8 | 63.0° | 60.0° |
| H4 | CG1 | CD2 | H9 | 57.0° | 60.0° |
| H4 | CG1 | CD2 | H10 | 177.0° | 180.0° |
| H5 | CD1 | H6 | H7 | 120.0° | 120.0° |
| H8 | CD2 | H9 | H10 | 120.0° | 120.0° |
| H14 | NAI | CAJ | H15 | 156.0° | 147.6° |
| H15 | CAJ | CAK | H16 | 8.6° | 0.0° |
| H15 | CAJ | CAQ | H22 | 116.3° | 146.4° |
| H16 | CAK | OAL | H17 | 58.3° | 57.3° |
| H16 | CAK | CAM | H18 | 128.5° | 146.3° |
| H18 | CAM | CAN | H19 | 78.6° | 67.2° |
| H18 | CAM | CAN | H20 | 161.5° | 172.8° |
| H19 | CAN | OAO | H21 | 60.0° | 60.0° |
| H20 | CAN | OAO | H21 | 60.0° | 60.0° |
