94O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C29 | C30 | doub | 1.38Å | 1.41Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C30 | C25 | sing | 1.39Å | 1.39Å | Aromatic |
| C28 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.40Å | 1.48Å | Aromatic |
| C25 | C24 | sing | 1.48Å | 1.50Å | |
| C27 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| O31 | C24 | doub | 1.22Å | 1.28Å | |
| C26 | C22 | sing | 1.49Å | 1.49Å | |
| C24 | C21 | sing | 1.48Å | 1.49Å | |
| C22 | C21 | sing | 1.46Å | 1.49Å | |
| C22 | N23 | doub | 1.32Å | 1.36Å | |
| C21 | C20 | doub | 1.38Å | 1.38Å | |
| N23 | C4 | sing | 1.34Å | 1.37Å | |
| C20 | C5 | sing | 1.41Å | 1.39Å | |
| C4 | C5 | sing | 1.47Å | 1.50Å | |
| C4 | N3 | doub | 1.33Å | 1.34Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | |
| OP1 | P | doub | 1.48Å | 1.50Å | |
| P | OP2 | sing | 1.61Å | 1.51Å | |
| P | O5' | sing | 1.61Å | 1.60Å | |
| N3 | C2 | sing | 1.33Å | 1.35Å | |
| C6 | N1 | sing | 1.34Å | 1.35Å | |
| C2 | N1 | sing | 1.34Å | 1.43Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| N1 | C1' | sing | 1.47Å | 1.47Å | |
| C5' | O5' | sing | 1.43Å | 1.39Å | |
| C5' | C4' | sing | 1.53Å | 1.51Å | |
| O4' | C1' | sing | 1.44Å | 1.44Å | |
| O4' | C4' | sing | 1.45Å | 1.44Å | |
| C1' | C2' | sing | 1.54Å | 1.49Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C3' | C2' | sing | 1.54Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.46Å | |
| OP2 | H1 | sing | 0.97Å | 0.95Å | |
| C5' | H3 | sing | 1.09Å | 1.10Å | |
| C5' | H4 | sing | 1.09Å | 1.10Å | |
| C4' | H5 | sing | 1.09Å | 1.10Å | |
| C1' | H6 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.08Å | 1.08Å | |
| C28 | H10 | sing | 1.08Å | 1.08Å | |
| C29 | H11 | sing | 1.08Å | 1.08Å | |
| C30 | H12 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C6 | H14 | sing | 1.08Å | 1.08Å | |
| C2' | H17 | sing | 1.09Å | 1.10Å | |
| C2' | H18 | sing | 1.09Å | 1.10Å | |
| C3' | H19 | sing | 1.09Å | 1.10Å | |
| O3' | H20 | sing | 0.97Å | 0.95Å | |
| P | OP3 | sing | 1.61Å | 1.57Å | |
| OP3 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C29 | C28 | 121.7° | 120.3° |
| C29 | C30 | C25 | 118.2° | 120.0° |
| C30 | C29 | H11 | 119.1° | 119.9° |
| C29 | C30 | H12 | 120.9° | 120.0° |
| C29 | C28 | C27 | 121.2° | 120.3° |
| C29 | C28 | H10 | 119.4° | 119.8° |
| C28 | C29 | H11 | 119.1° | 119.8° |
| C30 | C25 | C26 | 120.3° | 119.7° |
| C30 | C25 | C24 | 136.4° | 131.5° |
| C25 | C30 | H12 | 120.9° | 120.0° |
| C28 | C27 | C26 | 118.9° | 120.1° |
| C28 | C27 | H9 | 120.5° | 120.0° |
| C27 | C28 | H10 | 119.4° | 119.8° |
| C26 | C25 | C24 | 103.3° | 108.8° |
| C25 | C26 | C27 | 119.6° | 119.6° |
| C25 | C26 | C22 | 110.2° | 109.0° |
| C25 | C24 | O31 | 124.1° | 126.2° |
| C25 | C24 | C21 | 113.4° | 107.4° |
| C27 | C26 | C22 | 130.2° | 131.5° |
| C26 | C27 | H9 | 120.5° | 119.9° |
| O31 | C24 | C21 | 122.5° | 126.3° |
| C26 | C22 | C21 | 109.4° | 107.6° |
| C26 | C22 | N23 | 129.5° | 131.5° |
| C24 | C21 | C22 | 103.7° | 107.2° |
| C24 | C21 | C20 | 134.5° | 132.6° |
| C21 | C22 | N23 | 121.1° | 120.9° |
| C22 | C21 | C20 | 121.8° | 120.1° |
| C22 | N23 | C4 | 118.2° | 121.7° |
| C21 | C20 | C5 | 117.2° | 117.7° |
| C21 | C20 | H13 | 121.4° | 121.2° |
| N23 | C4 | C5 | 121.7° | 120.2° |
| N23 | C4 | N3 | 120.3° | 121.6° |
| C20 | C5 | C4 | 120.0° | 119.3° |
| C20 | C5 | C6 | 120.9° | 122.2° |
| C5 | C20 | H13 | 121.4° | 121.1° |
| C5 | C4 | N3 | 118.0° | 118.2° |
| C4 | C5 | C6 | 119.0° | 118.5° |
| C4 | N3 | C2 | 121.4° | 120.4° |
| C5 | C6 | N1 | 120.2° | 118.4° |
| C5 | C6 | H14 | 119.9° | 120.8° |
| OP1 | P | OP2 | 116.1° | 109.5° |
| OP1 | P | O5' | 113.1° | 109.5° |
| OP1 | P | OP3 | 109.6° | 109.4° |
| OP2 | P | O5' | 106.1° | 109.5° |
| P | OP2 | H1 | 109.5° | 114.0° |
| OP2 | P | OP3 | 108.4° | 109.5° |
| P | O5' | C5' | 115.2° | 123.0° |
| O5' | P | OP3 | 102.7° | 109.4° |
| N3 | C2 | N1 | 122.0° | 123.0° |
| N3 | C2 | O2 | 116.0° | 118.5° |
| C6 | N1 | C2 | 119.3° | 121.4° |
| C6 | N1 | C1' | 121.2° | 119.3° |
| N1 | C6 | H14 | 119.9° | 120.8° |
| N1 | C2 | O2 | 122.0° | 118.5° |
| C2 | N1 | C1' | 119.3° | 119.3° |
| N1 | C1' | O4' | 110.6° | 110.3° |
| N1 | C1' | C2' | 116.9° | 110.4° |
| N1 | C1' | H6 | 108.1° | 110.4° |
| O5' | C5' | C4' | 114.3° | 109.5° |
| O5' | C5' | H3 | 108.3° | 109.5° |
| O5' | C5' | H4 | 108.2° | 109.4° |
| C5' | C4' | O4' | 105.3° | 110.3° |
| C5' | C4' | C3' | 111.8° | 110.4° |
| C4' | C5' | H3 | 108.2° | 109.5° |
| C4' | C5' | H4 | 108.3° | 109.5° |
| C5' | C4' | H5 | 110.8° | 110.3° |
| C1' | O4' | C4' | 111.7° | 105.2° |
| O4' | C1' | C2' | 104.6° | 104.8° |
| O4' | C1' | H6 | 108.6° | 110.4° |
| O4' | C4' | C3' | 106.4° | 104.8° |
| O4' | C4' | H5 | 111.9° | 110.4° |
| C1' | C2' | C3' | 106.3° | 104.1° |
| C2' | C1' | H6 | 107.9° | 110.4° |
| C1' | C2' | H17 | 110.2° | 110.5° |
| C1' | C2' | H18 | 110.2° | 110.5° |
| C4' | C3' | C2' | 102.1° | 104.1° |
| C4' | C3' | O3' | 116.8° | 110.5° |
| C3' | C4' | H5 | 110.5° | 110.4° |
| C4' | C3' | H19 | 106.2° | 110.5° |
| C2' | C3' | O3' | 117.4° | 110.6° |
| C3' | C2' | H17 | 110.3° | 110.5° |
| C3' | C2' | H18 | 110.3° | 110.6° |
| C2' | C3' | H19 | 106.4° | 110.5° |
| O3' | C3' | H19 | 107.1° | 110.5° |
| C3' | O3' | H20 | 109.5° | 114.0° |
| H3 | C5' | H4 | 109.5° | 109.5° |
| H17 | C2' | H18 | 109.5° | 110.4° |
| P | OP3 | H2 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C29 | C28 | H11 | 180.0° | 180.0° |
| C29 | C30 | C25 | H12 | 180.0° | 179.9° |
| C30 | C29 | C28 | C27 | 0.7° | 0.1° |
| C29 | C30 | C25 | C26 | 0.4° | 0.0° |
| C29 | C30 | C25 | C24 | 179.6° | 180.0° |
| C30 | C29 | C28 | H10 | 179.3° | 179.9° |
| C28 | C29 | C30 | C25 | 0.4° | 0.1° |
| C29 | C28 | C27 | H10 | 180.0° | 180.0° |
| C29 | C28 | C27 | C26 | 1.8° | 0.0° |
| C29 | C28 | C27 | H9 | 178.2° | 179.9° |
| C28 | C29 | C30 | H12 | 179.6° | 180.0° |
| C30 | C25 | C26 | C24 | 179.4° | 180.0° |
| C30 | C25 | C26 | C27 | 0.6° | 0.0° |
| C30 | C25 | C24 | O31 | 0.8° | 0.1° |
| C30 | C25 | C26 | C22 | 179.7° | 180.0° |
| C30 | C25 | C24 | C21 | 179.5° | 180.0° |
| C25 | C30 | C29 | H11 | 179.6° | 179.9° |
| C28 | C27 | C26 | C25 | 1.7° | 0.0° |
| C28 | C27 | C26 | H9 | 180.0° | 179.9° |
| C28 | C27 | C26 | C22 | 179.4° | 180.0° |
| C27 | C28 | C29 | H11 | 179.3° | 179.9° |
| C25 | C26 | C27 | C22 | 178.9° | 179.9° |
| C26 | C25 | C24 | O31 | 179.9° | 180.0° |
| C26 | C25 | C24 | C21 | 0.2° | 0.0° |
| C25 | C26 | C22 | C21 | 0.4° | 0.0° |
| C25 | C26 | C22 | N23 | 179.8° | 180.0° |
| C25 | C26 | C27 | H9 | 178.3° | 180.0° |
| C26 | C25 | C30 | H12 | 179.5° | 179.9° |
| C24 | C25 | C26 | C27 | 178.8° | 180.0° |
| C25 | C24 | O31 | C21 | 179.7° | 179.9° |
| C24 | C25 | C26 | C22 | 0.3° | 0.0° |
| C25 | C24 | C21 | C22 | 0.0° | 0.0° |
| C25 | C24 | C21 | C20 | 179.6° | 180.0° |
| C24 | C25 | C30 | H12 | 0.4° | 0.1° |
| C27 | C26 | C22 | C21 | 178.7° | 180.0° |
| C27 | C26 | C22 | N23 | 0.8° | 0.0° |
| C26 | C27 | C28 | H10 | 178.2° | 180.0° |
| O31 | C24 | C21 | C22 | 179.7° | 180.0° |
| O31 | C24 | C21 | C20 | 0.1° | 0.1° |
| C26 | C22 | C21 | C24 | 0.2° | 0.0° |
| C26 | C22 | C21 | N23 | 179.5° | 180.0° |
| C26 | C22 | C21 | C20 | 179.9° | 180.0° |
| C26 | C22 | N23 | C4 | 179.9° | 180.0° |
| C22 | C26 | C27 | H9 | 0.6° | 0.1° |
| C24 | C21 | C22 | C20 | 179.7° | 180.0° |
| C24 | C21 | C22 | N23 | 179.7° | 180.0° |
| C24 | C21 | C20 | C5 | 179.8° | 180.0° |
| C24 | C21 | C20 | H13 | 0.2° | 0.1° |
| C21 | C22 | N23 | C4 | 0.5° | 0.0° |
| C22 | C21 | C20 | C5 | 0.2° | 0.0° |
| C22 | C21 | C20 | H13 | 179.8° | 180.0° |
| N23 | C22 | C21 | C20 | 0.6° | 0.0° |
| C22 | N23 | C4 | C5 | 0.1° | 0.1° |
| C22 | N23 | C4 | N3 | 179.5° | 179.7° |
| C21 | C20 | C5 | H13 | 180.0° | 180.0° |
| C21 | C20 | C5 | C4 | 0.2° | 0.0° |
| C21 | C20 | C5 | C6 | 179.5° | 180.0° |
| N23 | C4 | C5 | C20 | 0.2° | 0.1° |
| N23 | C4 | C5 | N3 | 179.6° | 179.8° |
| N23 | C4 | C5 | C6 | 179.5° | 180.0° |
| N23 | C4 | N3 | C2 | 179.1° | 179.8° |
| C20 | C5 | C4 | C6 | 179.7° | 180.0° |
| C20 | C5 | C4 | N3 | 179.9° | 179.8° |
| C20 | C5 | C6 | N1 | 179.4° | 179.5° |
| C20 | C5 | C6 | H14 | 0.7° | 0.0° |
| C5 | C4 | N3 | C2 | 0.5° | 0.0° |
| C4 | C5 | C6 | N1 | 0.3° | 0.5° |
| C4 | C5 | C20 | H13 | 179.8° | 179.9° |
| C4 | C5 | C6 | H14 | 179.7° | 180.0° |
| N3 | C4 | C5 | C6 | 0.2° | 0.2° |
| C4 | N3 | C2 | N1 | 0.4° | 0.0° |
| C4 | N3 | C2 | O2 | 179.9° | 180.0° |
| C5 | C6 | N1 | H14 | 180.0° | 179.5° |
| C5 | C6 | N1 | C2 | 0.4° | 0.5° |
| C5 | C6 | N1 | C1' | 175.9° | 179.8° |
| C6 | C5 | C20 | H13 | 0.5° | 0.0° |
| OP1 | P | OP2 | O5' | 126.5° | 120.0° |
| OP1 | P | OP2 | OP3 | 123.8° | 120.0° |
| OP1 | P | O5' | OP3 | 118.0° | 119.9° |
| OP1 | P | O5' | C5' | 45.2° | 55.0° |
| OP1 | P | OP2 | H1 | 0.0° | 60.0° |
| OP1 | P | OP3 | H2 | 0.0° | 180.0° |
| OP2 | P | O5' | OP3 | 113.7° | 120.0° |
| OP2 | P | O5' | C5' | 173.5° | 175.0° |
| OP2 | P | OP3 | H2 | 127.6° | 60.0° |
| P | O5' | C5' | C4' | 170.1° | 180.0° |
| O5' | P | OP2 | H1 | 126.5° | 180.0° |
| P | O5' | C5' | H3 | 49.4° | 59.9° |
| P | O5' | C5' | H4 | 69.2° | 60.0° |
| O5' | P | OP3 | H2 | 120.4° | 60.1° |
| N3 | C2 | N1 | C6 | 0.1° | 0.3° |
| N3 | C2 | N1 | O2 | 179.7° | 180.0° |
| N3 | C2 | N1 | C1' | 175.6° | 180.0° |
| C6 | N1 | C2 | C1' | 175.5° | 179.7° |
| C6 | N1 | C2 | O2 | 179.6° | 179.7° |
| C6 | N1 | C1' | O4' | 39.4° | 126.7° |
| C6 | N1 | C1' | C2' | 80.1° | 117.9° |
| C6 | N1 | C1' | H6 | 158.1° | 4.4° |
| C2 | N1 | C1' | O4' | 136.1° | 53.6° |
| C2 | N1 | C1' | C2' | 104.4° | 61.8° |
| C2 | N1 | C1' | H6 | 17.4° | 175.9° |
| C2 | N1 | C6 | H14 | 179.5° | 180.0° |
| O2 | C2 | N1 | C1' | 4.1° | 0.0° |
| N1 | C1' | O4' | C2' | 126.7° | 118.9° |
| N1 | C1' | O4' | H6 | 118.4° | 122.3° |
| N1 | C1' | O4' | C4' | 111.8° | 159.4° |
| N1 | C1' | C2' | H6 | 121.9° | 122.4° |
| N1 | C1' | C2' | C3' | 94.9° | 142.8° |
| C1' | N1 | C6 | H14 | 4.1° | 0.3° |
| N1 | C1' | C2' | H17 | 145.6° | 98.5° |
| N1 | C1' | C2' | H18 | 24.6° | 24.0° |
| O5' | C5' | C4' | H3 | 120.7° | 120.1° |
| O5' | C5' | C4' | H4 | 120.7° | 119.9° |
| O5' | C5' | C4' | O4' | 127.4° | 69.7° |
| O5' | C5' | C4' | C3' | 117.5° | 175.0° |
| O5' | C5' | H3 | H4 | 117.8° | 119.9° |
| O5' | C5' | C4' | H5 | 6.3° | 52.7° |
| C5' | O5' | P | OP3 | 72.8° | 64.9° |
| C5' | C4' | O4' | C1' | 122.6° | 159.3° |
| C5' | C4' | O4' | C3' | 118.9° | 118.9° |
| C5' | C4' | O4' | H5 | 120.4° | 122.3° |
| C5' | C4' | C3' | H5 | 123.9° | 122.3° |
| C5' | C4' | C3' | C2' | 134.7° | 142.8° |
| C5' | C4' | C3' | O3' | 95.8° | 98.5° |
| C4' | C5' | H3 | H4 | 117.8° | 120.0° |
| C5' | C4' | C3' | H19 | 23.5° | 24.1° |
| O4' | C1' | C2' | H6 | 115.4° | 118.8° |
| C1' | O4' | C4' | C3' | 3.7° | 40.5° |
| O4' | C1' | C2' | C3' | 27.8° | 24.0° |
| C1' | O4' | C4' | H5 | 117.0° | 78.4° |
| O4' | C1' | C2' | H17 | 91.7° | 142.6° |
| O4' | C1' | C2' | H18 | 147.3° | 94.8° |
| C4' | O4' | C1' | C2' | 14.9° | 40.5° |
| O4' | C4' | C3' | H5 | 121.6° | 118.9° |
| O4' | C4' | C3' | C2' | 20.2° | 23.9° |
| O4' | C4' | C3' | O3' | 149.7° | 142.7° |
| O4' | C4' | C5' | H3 | 6.7° | 50.4° |
| O4' | C4' | C5' | H4 | 111.9° | 170.4° |
| C4' | O4' | C1' | H6 | 129.8° | 78.3° |
| O4' | C4' | C3' | H19 | 91.0° | 94.7° |
| C1' | C2' | C3' | C4' | 29.4° | 0.0° |
| C1' | C2' | C3' | H17 | 119.5° | 118.7° |
| C1' | C2' | C3' | H18 | 119.5° | 118.7° |
| C1' | C2' | C3' | O3' | 158.4° | 118.7° |
| C1' | C2' | H17 | H18 | 121.4° | 122.6° |
| C1' | C2' | C3' | H19 | 81.7° | 118.6° |
| C4' | C3' | C2' | O3' | 129.1° | 118.7° |
| C4' | C3' | C2' | H19 | 111.1° | 118.6° |
| C4' | C3' | O3' | H19 | 118.8° | 122.6° |
| C3' | C4' | C5' | H3 | 121.9° | 65.0° |
| C3' | C4' | C5' | H4 | 3.2° | 55.0° |
| C4' | C3' | C2' | H17 | 90.1° | 118.7° |
| C4' | C3' | C2' | H18 | 148.9° | 118.7° |
| C4' | C3' | O3' | H20 | 180.0° | 180.0° |
| C2' | C3' | O3' | H19 | 119.4° | 122.7° |
| C2' | C3' | C4' | H5 | 101.4° | 95.0° |
| C3' | C2' | C1' | H6 | 143.2° | 94.8° |
| C3' | C2' | H17 | H18 | 121.5° | 122.7° |
| C2' | C3' | O3' | H20 | 58.2° | 65.3° |
| O3' | C3' | C4' | H5 | 28.1° | 23.8° |
| O3' | C3' | C2' | H17 | 39.0° | 0.0° |
| O3' | C3' | C2' | H18 | 82.1° | 122.6° |
| H1 | OP2 | P | OP3 | 123.8° | 60.0° |
| H3 | C5' | C4' | H5 | 114.4° | 172.7° |
| H4 | C5' | C4' | H5 | 127.0° | 67.3° |
| H5 | C4' | C3' | H19 | 147.4° | 146.4° |
| H6 | C1' | C2' | H17 | 23.7° | 23.8° |
| H6 | C1' | C2' | H18 | 97.3° | 146.4° |
| H9 | C27 | C28 | H10 | 1.8° | 0.1° |
| H10 | C28 | C29 | H11 | 0.7° | 0.1° |
| H11 | C29 | C30 | H12 | 0.4° | 0.0° |
| H17 | C2' | C3' | H19 | 158.8° | 122.7° |
| H18 | C2' | C3' | H19 | 37.8° | 0.1° |
| H19 | C3' | O3' | H20 | 61.2° | 57.4° |
