T39
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD' | OC' | sing | 1.43Å | 1.45Å | |
| OC' | CB' | sing | 1.43Å | 1.45Å | |
| CB' | CA' | sing | 1.53Å | 1.45Å | |
| CA' | O2' | sing | 1.43Å | 1.44Å | |
| O2' | C2' | sing | 1.43Å | 1.41Å | |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C2' | C1' | sing | 1.55Å | 1.53Å | |
| C3' | C4' | sing | 1.54Å | 1.53Å | |
| O2 | C2 | doub | 1.22Å | 1.22Å | |
| C4' | O4' | sing | 1.44Å | 1.45Å | |
| C4' | C5' | sing | 1.53Å | 1.50Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C1' | N1 | sing | 1.47Å | 1.48Å | |
| C2 | N1 | sing | 1.35Å | 1.38Å | |
| C2 | N3 | sing | 1.35Å | 1.36Å | |
| N1 | C6 | sing | 1.37Å | 1.38Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| N3 | C4 | sing | 1.35Å | 1.38Å | |
| O5' | P | sing | 1.61Å | 1.60Å | |
| C6 | C5 | doub | 1.35Å | 1.34Å | |
| C4 | C5 | sing | 1.42Å | 1.44Å | |
| C4 | O4 | doub | 1.22Å | 1.23Å | |
| C5 | C7 | sing | 1.51Å | 1.50Å | |
| OP1 | P | doub | 1.48Å | 1.47Å | |
| P | OP2 | sing | 1.61Å | 1.48Å | |
| P | OP3 | sing | 1.61Å | 1.60Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| CA' | HCA2 | sing | 1.09Å | 1.10Å | |
| CA' | HCA1 | sing | 1.09Å | 1.10Å | |
| CD' | HCD1 | sing | 1.09Å | 1.10Å | |
| CD' | HCD2 | sing | 1.09Å | 1.10Å | |
| CD' | HCD3 | sing | 1.09Å | 1.10Å | |
| CB' | HCB1 | sing | 1.09Å | 1.10Å | |
| CB' | HCB2 | sing | 1.09Å | 1.10Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD' | OC' | CB' | 116.0° | 114.0° |
| OC' | CD' | HCD1 | 109.5° | 109.5° |
| OC' | CD' | HCD2 | 109.5° | 109.5° |
| OC' | CD' | HCD3 | 109.5° | 109.5° |
| OC' | CB' | CA' | 112.4° | 109.5° |
| OC' | CB' | HCB1 | 108.7° | 109.4° |
| OC' | CB' | HCB2 | 108.7° | 109.5° |
| CB' | CA' | O2' | 111.1° | 109.5° |
| CB' | CA' | HCA2 | 109.1° | 109.4° |
| CB' | CA' | HCA1 | 109.1° | 109.5° |
| CA' | CB' | HCB1 | 108.8° | 109.5° |
| CA' | CB' | HCB2 | 108.7° | 109.5° |
| CA' | O2' | C2' | 113.4° | 114.0° |
| O2' | CA' | HCA2 | 109.1° | 109.5° |
| O2' | CA' | HCA1 | 109.1° | 109.5° |
| O2' | C2' | C3' | 110.7° | 110.9° |
| O2' | C2' | C1' | 111.0° | 110.9° |
| O2' | C2' | H7 | 112.5° | 110.8° |
| O3' | C3' | C2' | 111.3° | 110.6° |
| O3' | C3' | C4' | 114.1° | 110.4° |
| O3' | C3' | H3' | 110.8° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C3' | C2' | C1' | 100.3° | 102.1° |
| C2' | C3' | C4' | 101.5° | 104.2° |
| C2' | C3' | H3' | 109.4° | 110.5° |
| C3' | C2' | H7 | 111.0° | 110.9° |
| C2' | C1' | O4' | 107.4° | 103.5° |
| C2' | C1' | N1 | 111.9° | 110.6° |
| C1' | C2' | H7 | 110.7° | 110.9° |
| C2' | C1' | H1' | 108.5° | 110.7° |
| C3' | C4' | O4' | 103.4° | 107.3° |
| C3' | C4' | C5' | 117.0° | 109.8° |
| C3' | C4' | H4' | 108.5° | 110.0° |
| C4' | C3' | H3' | 109.3° | 110.5° |
| O2 | C2 | N1 | 124.1° | 119.5° |
| O2 | C2 | N3 | 121.1° | 119.6° |
| O4' | C4' | C5' | 109.3° | 109.9° |
| C4' | O4' | C1' | 108.8° | 106.9° |
| O4' | C4' | H4' | 109.5° | 109.9° |
| C4' | C5' | O5' | 111.0° | 109.4° |
| C4' | C5' | H5' | 109.1° | 109.5° |
| C4' | C5' | H5'' | 109.1° | 109.5° |
| C5' | C4' | H4' | 108.9° | 109.9° |
| O4' | C1' | N1 | 109.8° | 110.6° |
| O4' | C1' | H1' | 110.0° | 110.6° |
| C1' | N1 | C2 | 117.0° | 119.7° |
| C1' | N1 | C6 | 121.8° | 119.7° |
| N1 | C1' | H1' | 109.1° | 110.7° |
| N1 | C2 | N3 | 114.8° | 120.9° |
| C2 | N1 | C6 | 121.2° | 120.6° |
| C2 | N3 | C4 | 127.2° | 120.3° |
| C2 | N3 | H3 | 116.4° | 119.9° |
| N1 | C6 | C5 | 123.0° | 119.7° |
| N1 | C6 | H6 | 118.5° | 120.2° |
| C5' | O5' | P | 121.4° | 123.0° |
| O5' | C5' | H5' | 109.1° | 109.5° |
| O5' | C5' | H5'' | 109.1° | 109.5° |
| N3 | C4 | C5 | 115.6° | 119.4° |
| N3 | C4 | O4 | 119.0° | 120.3° |
| C4 | N3 | H3 | 116.4° | 119.8° |
| O5' | P | OP1 | 110.3° | 109.4° |
| O5' | P | OP2 | 109.4° | 109.4° |
| O5' | P | OP3 | 104.4° | 109.5° |
| C6 | C5 | C4 | 118.2° | 119.1° |
| C6 | C5 | C7 | 122.6° | 120.5° |
| C5 | C6 | H6 | 118.5° | 120.2° |
| C5 | C4 | O4 | 125.5° | 120.3° |
| C4 | C5 | C7 | 119.1° | 120.5° |
| C5 | C7 | H71 | 109.5° | 109.5° |
| C5 | C7 | H72 | 109.5° | 109.5° |
| C5 | C7 | H73 | 109.5° | 109.5° |
| OP1 | P | OP2 | 119.1° | 109.5° |
| OP1 | P | OP3 | 104.2° | 109.5° |
| OP2 | P | OP3 | 108.2° | 109.5° |
| P | OP2 | HOP2 | 109.5° | 114.0° |
| P | OP3 | HOP3 | 109.5° | 114.0° |
| H5' | C5' | H5'' | 109.5° | 109.5° |
| H71 | C7 | H72 | 109.4° | 109.4° |
| H71 | C7 | H73 | 109.5° | 109.4° |
| H72 | C7 | H73 | 109.5° | 109.4° |
| HCA2 | CA' | HCA1 | 109.5° | 109.5° |
| HCD1 | CD' | HCD2 | 109.5° | 109.4° |
| HCD1 | CD' | HCD3 | 109.4° | 109.4° |
| HCD2 | CD' | HCD3 | 109.5° | 109.5° |
| HCB1 | CB' | HCB2 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD' | OC' | CB' | CA' | 73.6° | 180.0° |
| OC' | CD' | HCD1 | HCD2 | 120.0° | 120.0° |
| OC' | CD' | HCD1 | HCD3 | 120.0° | 120.0° |
| OC' | CD' | HCD2 | HCD3 | 120.0° | 120.1° |
| CD' | OC' | CB' | HCB1 | 46.8° | 60.0° |
| CD' | OC' | CB' | HCB2 | 165.9° | 59.9° |
| OC' | CB' | CA' | HCB1 | 120.4° | 120.0° |
| OC' | CB' | CA' | HCB2 | 120.4° | 120.0° |
| OC' | CB' | CA' | O2' | 33.7° | 65.0° |
| OC' | CB' | CA' | HCA2 | 86.6° | 55.0° |
| OC' | CB' | CA' | HCA1 | 153.9° | 175.0° |
| CB' | OC' | CD' | HCD1 | 180.0° | 60.0° |
| CB' | OC' | CD' | HCD2 | 60.0° | 59.9° |
| CB' | OC' | CD' | HCD3 | 60.0° | 180.0° |
| OC' | CB' | HCB1 | HCB2 | 118.7° | 119.9° |
| CB' | CA' | O2' | HCA2 | 120.2° | 119.9° |
| CB' | CA' | O2' | HCA1 | 120.3° | 120.0° |
| CB' | CA' | O2' | C2' | 128.7° | 180.0° |
| CB' | CA' | HCA2 | HCA1 | 119.3° | 120.0° |
| CA' | CB' | HCB1 | HCB2 | 118.7° | 120.0° |
| CA' | O2' | C2' | C3' | 179.4° | 91.4° |
| CA' | O2' | C2' | C1' | 70.1° | 155.8° |
| CA' | O2' | C2' | H7 | 54.6° | 32.3° |
| O2' | CA' | HCA2 | HCA1 | 119.3° | 120.0° |
| O2' | CA' | CB' | HCB1 | 154.1° | 175.0° |
| O2' | CA' | CB' | HCB2 | 86.8° | 55.0° |
| O2' | C2' | C3' | O3' | 45.2° | 20.4° |
| O2' | C2' | C3' | C1' | 117.3° | 118.2° |
| O2' | C2' | C3' | H7 | 125.7° | 123.6° |
| O2' | C2' | C1' | H7 | 125.8° | 123.5° |
| O2' | C2' | C3' | C4' | 76.6° | 139.0° |
| O2' | C2' | C1' | O4' | 88.8° | 155.3° |
| O2' | C2' | C1' | N1 | 150.6° | 86.3° |
| O2' | C2' | C3' | H3' | 168.0° | 102.2° |
| O2' | C2' | C1' | H1' | 30.1° | 36.8° |
| C2' | O2' | CA' | HCA2 | 111.1° | 60.1° |
| C2' | O2' | CA' | HCA1 | 8.4° | 60.0° |
| O3' | C3' | C2' | C4' | 121.8° | 118.7° |
| O3' | C3' | C2' | H3' | 122.8° | 122.6° |
| O3' | C3' | C2' | C1' | 162.5° | 97.8° |
| O3' | C3' | C4' | H3' | 124.7° | 122.5° |
| O3' | C3' | C4' | O4' | 159.9° | 120.9° |
| O3' | C3' | C4' | C5' | 79.9° | 119.8° |
| O3' | C3' | C4' | H4' | 43.6° | 1.3° |
| O3' | C3' | C2' | H7 | 80.5° | 143.9° |
| C3' | C2' | C1' | H7 | 117.2° | 118.2° |
| C2' | C3' | C4' | H3' | 115.6° | 118.8° |
| C2' | C3' | C4' | O4' | 40.1° | 2.1° |
| C2' | C3' | C4' | C5' | 160.3° | 121.5° |
| C3' | C2' | C1' | O4' | 28.2° | 37.0° |
| C3' | C2' | C1' | N1 | 92.4° | 155.5° |
| C2' | C3' | C4' | H4' | 76.1° | 117.4° |
| C2' | C3' | O3' | HO3' | 180.0° | 176.3° |
| C3' | C2' | C1' | H1' | 147.1° | 81.5° |
| C1' | C2' | C3' | C4' | 40.7° | 20.8° |
| C2' | C1' | O4' | C4' | 3.5° | 40.1° |
| C2' | C1' | O4' | N1 | 122.0° | 118.5° |
| C2' | C1' | O4' | H1' | 117.9° | 118.5° |
| C2' | C1' | N1 | H1' | 120.2° | 123.0° |
| C2' | C1' | N1 | C2 | 87.3° | 64.7° |
| C2' | C1' | N1 | C6 | 93.3° | 115.0° |
| C1' | C2' | C3' | H3' | 74.7° | 139.6° |
| C3' | C4' | O4' | C5' | 125.3° | 119.3° |
| C3' | C4' | O4' | H4' | 115.5° | 119.6° |
| C3' | C4' | C5' | H4' | 123.4° | 121.2° |
| C3' | C4' | O4' | C1' | 22.8° | 26.6° |
| C3' | C4' | C5' | O5' | 52.3° | 175.7° |
| C3' | C4' | C5' | H5' | 172.5° | 64.3° |
| C3' | C4' | C5' | H5'' | 68.0° | 55.8° |
| C4' | C3' | O3' | HO3' | 65.8° | 61.5° |
| C4' | C3' | C2' | H7 | 157.7° | 97.4° |
| O2 | C2 | N1 | C1' | 1.5° | 0.0° |
| O2 | C2 | N1 | N3 | 179.5° | 180.0° |
| O2 | C2 | N1 | C6 | 179.1° | 179.7° |
| O2 | C2 | N3 | C4 | 179.0° | 180.0° |
| O2 | C2 | N3 | H3 | 0.9° | 0.0° |
| O4' | C4' | C5' | H4' | 119.6° | 121.0° |
| C4' | O4' | C1' | N1 | 118.5° | 158.6° |
| O4' | C4' | C5' | O5' | 64.8° | 66.5° |
| O4' | C4' | C5' | H5' | 55.4° | 53.5° |
| O4' | C4' | C5' | H5'' | 175.0° | 173.5° |
| O4' | C4' | C3' | H3' | 75.5° | 116.6° |
| C4' | O4' | C1' | H1' | 121.4° | 78.4° |
| C5' | C4' | O4' | C1' | 148.1° | 145.9° |
| C4' | C5' | O5' | H5' | 120.2° | 120.0° |
| C4' | C5' | O5' | H5'' | 120.2° | 120.0° |
| C4' | C5' | O5' | P | 168.8° | 180.0° |
| C4' | C5' | H5' | H5'' | 119.3° | 120.0° |
| C5' | C4' | C3' | H3' | 44.8° | 2.7° |
| O4' | C1' | N1 | H1' | 120.7° | 122.9° |
| O4' | C1' | N1 | C2 | 153.5° | 49.4° |
| O4' | C1' | N1 | C6 | 25.9° | 130.9° |
| C1' | O4' | C4' | H4' | 92.7° | 93.1° |
| O4' | C1' | C2' | H7 | 145.5° | 81.2° |
| C1' | N1 | C2 | C6 | 179.4° | 179.7° |
| C1' | N1 | C2 | N3 | 179.0° | 180.0° |
| C1' | N1 | C6 | C5 | 179.6° | 179.8° |
| N1 | C1' | C2' | H7 | 24.8° | 37.2° |
| C1' | N1 | C6 | H6 | 0.4° | 0.1° |
| N1 | C2 | N3 | C4 | 0.4° | 0.0° |
| C2 | N1 | C6 | C5 | 0.3° | 0.5° |
| C2 | N1 | C1' | H1' | 32.8° | 172.3° |
| N1 | C2 | N3 | H3 | 179.6° | 180.0° |
| C2 | N1 | C6 | H6 | 179.8° | 179.8° |
| N3 | C2 | N1 | C6 | 0.4° | 0.3° |
| C2 | N3 | C4 | H3 | 180.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.0° |
| C2 | N3 | C4 | O4 | 179.8° | 180.0° |
| N1 | C6 | C5 | H6 | 180.0° | 179.6° |
| N1 | C6 | C5 | C4 | 0.8° | 0.5° |
| N1 | C6 | C5 | C7 | 179.5° | 179.7° |
| C6 | N1 | C1' | H1' | 146.5° | 8.0° |
| C5' | O5' | P | OP1 | 46.4° | 55.0° |
| C5' | O5' | P | OP2 | 179.3° | 65.0° |
| C5' | O5' | P | OP3 | 65.0° | 175.0° |
| O5' | C5' | H5' | H5'' | 119.3° | 120.0° |
| O5' | C5' | C4' | H4' | 175.6° | 54.6° |
| N3 | C4 | C5 | C6 | 0.7° | 0.2° |
| N3 | C4 | C5 | O4 | 179.9° | 179.9° |
| N3 | C4 | C5 | C7 | 179.6° | 180.0° |
| O5' | P | OP1 | OP2 | 127.7° | 119.9° |
| O5' | P | OP1 | OP3 | 111.6° | 120.0° |
| O5' | P | OP2 | OP3 | 113.2° | 120.0° |
| O5' | P | OP2 | HOP2 | 128.1° | 60.0° |
| P | O5' | C5' | H5' | 48.5° | 60.0° |
| P | O5' | C5' | H5'' | 71.0° | 60.0° |
| O5' | P | OP3 | HOP3 | 115.8° | 180.0° |
| C6 | C5 | C4 | C7 | 179.7° | 179.8° |
| C6 | C5 | C4 | O4 | 179.2° | 179.7° |
| C6 | C5 | C7 | H71 | 180.0° | 179.7° |
| C6 | C5 | C7 | H72 | 60.0° | 59.7° |
| C6 | C5 | C7 | H73 | 60.0° | 60.3° |
| C5 | C4 | N3 | H3 | 179.9° | 180.0° |
| C4 | C5 | C7 | H71 | 0.3° | 0.1° |
| C4 | C5 | C7 | H72 | 119.6° | 120.1° |
| C4 | C5 | C7 | H73 | 120.3° | 120.0° |
| C4 | C5 | C6 | H6 | 179.2° | 179.8° |
| O4 | C4 | C5 | C7 | 0.5° | 0.1° |
| O4 | C4 | N3 | H3 | 0.3° | 0.1° |
| C5 | C7 | H71 | H72 | 120.0° | 120.0° |
| C5 | C7 | H71 | H73 | 120.0° | 120.0° |
| C5 | C7 | H72 | H73 | 120.0° | 120.0° |
| C7 | C5 | C6 | H6 | 0.4° | 0.1° |
| OP1 | P | OP2 | OP3 | 118.7° | 120.1° |
| OP1 | P | OP2 | HOP2 | 0.0° | 180.0° |
| OP1 | P | OP3 | HOP3 | 0.0° | 60.0° |
| OP2 | P | OP3 | HOP3 | 127.7° | 60.0° |
| OP3 | P | OP2 | HOP2 | 118.7° | 60.0° |
| H5' | C5' | C4' | H4' | 64.1° | 174.6° |
| H5'' | C5' | C4' | H4' | 55.4° | 65.4° |
| H4' | C4' | C3' | H3' | 168.3° | 123.8° |
| H3' | C3' | O3' | HO3' | 58.0° | 61.1° |
| H3' | C3' | C2' | H7 | 42.3° | 21.4° |
| H7 | C2' | C1' | H1' | 95.7° | 160.3° |
| H71 | C7 | H72 | H73 | 120.0° | 119.9° |
| HCA2 | CA' | CB' | HCB1 | 33.8° | 65.0° |
| HCA2 | CA' | CB' | HCB2 | 153.0° | 175.0° |
| HCA1 | CA' | CB' | HCB1 | 85.7° | 55.0° |
| HCA1 | CA' | CB' | HCB2 | 33.5° | 65.0° |
| HCD1 | CD' | HCD2 | HCD3 | 119.9° | 119.9° |
