RE5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C21 | N22 | doub | 1.32Å | 1.38Å | Aromatic |
| C21 | N20 | sing | 1.32Å | 1.34Å | Aromatic |
| O01 | P02 | doub | 1.48Å | 1.50Å | |
| O06 | C05 | doub | 1.21Å | 1.26Å | |
| N22 | C23 | sing | 1.33Å | 1.37Å | Aromatic |
| N20 | C19 | doub | 1.33Å | 1.37Å | Aromatic |
| O07 | C05 | sing | 1.34Å | 1.26Å | |
| C05 | C04 | sing | 1.51Å | 1.56Å | |
| C15 | O14 | sing | 1.43Å | 1.40Å | |
| C15 | C17 | sing | 1.53Å | 1.57Å | |
| O28 | P02 | sing | 1.61Å | 1.50Å | |
| P02 | N03 | sing | 1.68Å | 1.69Å | |
| P02 | C13 | sing | 1.82Å | 1.94Å | |
| C23 | N24 | sing | 1.38Å | 1.37Å | |
| C23 | C25 | doub | 1.41Å | 1.42Å | Aromatic |
| C19 | C25 | sing | 1.41Å | 1.43Å | Aromatic |
| C19 | N18 | sing | 1.37Å | 1.39Å | Aromatic |
| O14 | C13 | sing | 1.43Å | 1.40Å | |
| C25 | N26 | sing | 1.36Å | 1.41Å | Aromatic |
| C17 | N18 | sing | 1.47Å | 1.48Å | |
| N03 | C04 | sing | 1.47Å | 1.49Å | |
| N18 | C27 | sing | 1.36Å | 1.42Å | Aromatic |
| C04 | C08 | sing | 1.53Å | 1.56Å | |
| N26 | C27 | doub | 1.30Å | 1.36Å | Aromatic |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | sing | 1.51Å | 1.54Å | |
| O11 | C10 | doub | 1.21Å | 1.26Å | |
| C10 | O12 | sing | 1.34Å | 1.26Å | |
| C04 | H1 | sing | 1.09Å | 1.10Å | |
| C08 | H2 | sing | 1.09Å | 1.10Å | |
| C08 | H3 | sing | 1.09Å | 1.10Å | |
| C09 | H4 | sing | 1.09Å | 1.10Å | |
| C09 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C17 | H12 | sing | 1.09Å | 1.10Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C27 | H15 | sing | 1.08Å | 1.08Å | |
| N03 | H16 | sing | 1.01Å | 1.00Å | |
| N24 | H17 | sing | 0.97Å | 1.00Å | |
| N24 | H18 | sing | 0.97Å | 1.00Å | |
| O07 | H19 | sing | 0.97Å | 0.95Å | |
| O12 | H20 | sing | 0.97Å | 0.95Å | |
| O28 | H21 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | O14 | 110.5° | 109.5° |
| C16 | C15 | C17 | 109.4° | 109.5° |
| C16 | C15 | H8 | 110.2° | 109.4° |
| C15 | C16 | H9 | 109.5° | 109.5° |
| C15 | C16 | H10 | 109.5° | 109.5° |
| C15 | C16 | H11 | 109.4° | 109.4° |
| N22 | C21 | N20 | 129.5° | 122.5° |
| C21 | N22 | C23 | 116.3° | 121.2° |
| N22 | C21 | H14 | 115.3° | 118.8° |
| C21 | N20 | C19 | 112.4° | 120.6° |
| N20 | C21 | H14 | 115.3° | 118.7° |
| O01 | P02 | O28 | 119.5° | 109.5° |
| O01 | P02 | N03 | 111.4° | 109.5° |
| O01 | P02 | C13 | 99.5° | 109.5° |
| O06 | C05 | O07 | 122.8° | 120.0° |
| O06 | C05 | C04 | 118.7° | 120.0° |
| N22 | C23 | N24 | 117.8° | 120.8° |
| N22 | C23 | C25 | 120.3° | 118.5° |
| N20 | C19 | C25 | 124.7° | 119.1° |
| N20 | C19 | N18 | 129.1° | 134.9° |
| O07 | C05 | C04 | 118.5° | 120.0° |
| C05 | O07 | H19 | 109.5° | 117.0° |
| C05 | C04 | N03 | 112.9° | 109.5° |
| C05 | C04 | C08 | 106.2° | 109.5° |
| C05 | C04 | H1 | 107.6° | 109.4° |
| O14 | C15 | C17 | 104.7° | 109.5° |
| C15 | O14 | C13 | 116.3° | 114.0° |
| O14 | C15 | H8 | 112.2° | 109.4° |
| C15 | C17 | N18 | 113.5° | 109.4° |
| C17 | C15 | H8 | 109.7° | 109.5° |
| C15 | C17 | H12 | 108.5° | 109.5° |
| C15 | C17 | H13 | 108.5° | 109.5° |
| O28 | P02 | N03 | 115.6° | 109.5° |
| O28 | P02 | C13 | 103.9° | 109.5° |
| P02 | O28 | H21 | 109.5° | 114.0° |
| N03 | P02 | C13 | 103.9° | 109.4° |
| P02 | N03 | C04 | 124.6° | 111.0° |
| P02 | N03 | H16 | 105.6° | 111.0° |
| P02 | C13 | O14 | 108.1° | 109.4° |
| P02 | C13 | H6 | 109.8° | 109.5° |
| P02 | C13 | H7 | 109.8° | 109.4° |
| N24 | C23 | C25 | 121.9° | 120.8° |
| C23 | N24 | H17 | 109.5° | 120.0° |
| C23 | N24 | H18 | 109.5° | 120.0° |
| C23 | C25 | C19 | 116.8° | 118.2° |
| C23 | C25 | N26 | 132.5° | 134.7° |
| C25 | C19 | N18 | 106.2° | 106.0° |
| C19 | C25 | N26 | 110.7° | 107.2° |
| C19 | N18 | C17 | 126.0° | 126.3° |
| C19 | N18 | C27 | 106.1° | 107.5° |
| O14 | C13 | H6 | 109.8° | 109.5° |
| O14 | C13 | H7 | 109.8° | 109.5° |
| C25 | N26 | C27 | 104.1° | 109.4° |
| C17 | N18 | C27 | 127.9° | 126.3° |
| N18 | C17 | H12 | 108.5° | 109.4° |
| N18 | C17 | H13 | 108.5° | 109.4° |
| N03 | C04 | C08 | 113.6° | 109.5° |
| N03 | C04 | H1 | 108.5° | 109.5° |
| C04 | N03 | H16 | 105.6° | 111.0° |
| N18 | C27 | N26 | 112.9° | 110.0° |
| N18 | C27 | H15 | 123.6° | 125.0° |
| C04 | C08 | C09 | 113.5° | 109.5° |
| C08 | C04 | H1 | 107.7° | 109.5° |
| C04 | C08 | H2 | 108.5° | 109.4° |
| C04 | C08 | H3 | 108.4° | 109.5° |
| N26 | C27 | H15 | 123.5° | 125.0° |
| C08 | C09 | C10 | 113.2° | 109.5° |
| C09 | C08 | H2 | 108.4° | 109.5° |
| C09 | C08 | H3 | 108.5° | 109.4° |
| C08 | C09 | H4 | 108.5° | 109.5° |
| C08 | C09 | H5 | 108.5° | 109.4° |
| C09 | C10 | O11 | 119.7° | 120.0° |
| C09 | C10 | O12 | 119.1° | 120.0° |
| C10 | C09 | H4 | 108.5° | 109.5° |
| C10 | C09 | H5 | 108.5° | 109.5° |
| O11 | C10 | O12 | 121.2° | 120.0° |
| C10 | O12 | H20 | 109.5° | 117.0° |
| H2 | C08 | H3 | 109.5° | 109.5° |
| H4 | C09 | H5 | 109.5° | 109.5° |
| H6 | C13 | H7 | 109.4° | 109.5° |
| H9 | C16 | H10 | 109.4° | 109.5° |
| H9 | C16 | H11 | 109.5° | 109.5° |
| H10 | C16 | H11 | 109.5° | 109.5° |
| H12 | C17 | H13 | 109.5° | 109.5° |
| H17 | N24 | H18 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | O14 | C17 | 117.6° | 120.0° |
| C16 | C15 | O14 | H8 | 123.4° | 119.9° |
| C16 | C15 | C17 | H8 | 121.0° | 120.0° |
| C16 | C15 | O14 | C13 | 117.0° | 84.3° |
| C16 | C15 | C17 | N18 | 63.4° | 175.0° |
| C15 | C16 | H9 | H10 | 120.0° | 120.0° |
| C15 | C16 | H9 | H11 | 120.0° | 120.0° |
| C15 | C16 | H10 | H11 | 120.0° | 119.9° |
| C16 | C15 | C17 | H12 | 57.2° | 65.1° |
| C16 | C15 | C17 | H13 | 176.0° | 55.0° |
| N22 | C21 | N20 | H14 | 180.0° | 179.8° |
| N22 | C21 | N20 | C19 | 0.0° | 0.0° |
| C21 | N22 | C23 | N24 | 180.0° | 180.0° |
| C21 | N22 | C23 | C25 | 0.0° | 0.4° |
| N20 | C21 | N22 | C23 | 0.0° | 0.2° |
| C21 | N20 | C19 | C25 | 0.1° | 0.0° |
| C21 | N20 | C19 | N18 | 180.0° | 179.7° |
| O01 | P02 | O28 | N03 | 137.3° | 120.0° |
| O01 | P02 | O28 | C13 | 109.5° | 120.0° |
| O01 | P02 | N03 | C13 | 106.2° | 120.0° |
| O01 | P02 | C13 | O14 | 31.5° | 65.5° |
| O01 | P02 | N03 | C04 | 46.7° | 60.0° |
| O01 | P02 | C13 | H6 | 88.3° | 54.4° |
| O01 | P02 | C13 | H7 | 151.3° | 174.5° |
| O01 | P02 | N03 | H16 | 168.7° | 63.9° |
| O01 | P02 | O28 | H21 | 0.0° | 180.0° |
| O06 | C05 | O07 | C04 | 179.9° | 179.9° |
| O06 | C05 | C04 | N03 | 62.2° | 0.1° |
| O06 | C05 | C04 | C08 | 62.9° | 120.0° |
| O06 | C05 | C04 | H1 | 178.0° | 120.1° |
| O06 | C05 | O07 | H19 | 0.0° | 0.1° |
| N22 | C23 | N24 | C25 | 180.0° | 179.6° |
| N22 | C23 | C25 | C19 | 0.1° | 0.5° |
| N22 | C23 | C25 | N26 | 180.0° | 179.6° |
| C23 | N22 | C21 | H14 | 180.0° | 180.0° |
| N22 | C23 | N24 | H17 | 0.0° | 179.5° |
| N22 | C23 | N24 | H18 | 120.0° | 0.4° |
| N20 | C19 | C25 | C23 | 0.1° | 0.3° |
| N20 | C19 | C25 | N18 | 179.9° | 179.7° |
| N20 | C19 | C25 | N26 | 180.0° | 179.8° |
| N20 | C19 | N18 | C17 | 0.1° | 0.2° |
| N20 | C19 | N18 | C27 | 179.9° | 179.7° |
| C19 | N20 | C21 | H14 | 180.0° | 179.8° |
| O07 | C05 | C04 | N03 | 117.8° | 180.0° |
| O07 | C05 | C04 | C08 | 117.1° | 59.9° |
| O07 | C05 | C04 | H1 | 2.0° | 60.0° |
| C05 | C04 | N03 | P02 | 47.0° | 95.0° |
| C05 | C04 | N03 | C08 | 121.0° | 120.0° |
| C05 | C04 | N03 | H1 | 119.3° | 120.0° |
| C05 | C04 | C08 | H1 | 115.1° | 119.9° |
| C05 | C04 | C08 | C09 | 115.3° | 174.9° |
| C05 | C04 | C08 | H2 | 124.1° | 65.1° |
| C05 | C04 | C08 | H3 | 5.3° | 55.0° |
| C05 | C04 | N03 | H16 | 169.1° | 141.1° |
| C04 | C05 | O07 | H19 | 180.0° | 180.0° |
| O14 | C15 | C17 | H8 | 120.6° | 120.0° |
| C15 | O14 | C13 | P02 | 117.3° | 76.4° |
| O14 | C15 | C17 | N18 | 55.0° | 65.0° |
| C15 | O14 | C13 | H6 | 2.5° | 43.6° |
| C15 | O14 | C13 | H7 | 122.9° | 163.7° |
| O14 | C15 | C16 | H9 | 180.0° | 55.1° |
| O14 | C15 | C16 | H10 | 60.0° | 175.1° |
| O14 | C15 | C16 | H11 | 60.0° | 65.0° |
| O14 | C15 | C17 | H12 | 175.6° | 55.0° |
| O14 | C15 | C17 | H13 | 65.6° | 175.0° |
| C15 | C17 | N18 | C19 | 102.2° | 85.0° |
| C17 | C15 | O14 | C13 | 125.4° | 155.7° |
| C15 | C17 | N18 | H12 | 120.6° | 120.0° |
| C15 | C17 | N18 | H13 | 120.6° | 120.0° |
| C15 | C17 | N18 | C27 | 77.8° | 95.1° |
| C17 | C15 | C16 | H9 | 65.3° | 175.1° |
| C17 | C15 | C16 | H10 | 54.7° | 64.9° |
| C17 | C15 | C16 | H11 | 174.7° | 55.1° |
| C15 | C17 | H12 | H13 | 118.2° | 120.1° |
| O28 | P02 | N03 | C13 | 113.1° | 120.0° |
| O28 | P02 | C13 | O14 | 155.2° | 54.5° |
| O28 | P02 | N03 | C04 | 172.7° | 60.0° |
| O28 | P02 | C13 | H6 | 35.4° | 174.5° |
| O28 | P02 | C13 | H7 | 85.0° | 65.5° |
| O28 | P02 | N03 | H16 | 50.6° | 176.1° |
| N03 | P02 | C13 | O14 | 83.5° | 174.5° |
| P02 | N03 | C04 | H16 | 122.0° | 123.9° |
| P02 | N03 | C04 | C08 | 168.1° | 145.0° |
| P02 | N03 | C04 | H1 | 72.2° | 25.0° |
| N03 | P02 | C13 | H6 | 156.7° | 65.5° |
| N03 | P02 | C13 | H7 | 36.3° | 54.5° |
| N03 | P02 | O28 | H21 | 137.3° | 60.0° |
| P02 | C13 | O14 | H6 | 119.8° | 120.0° |
| P02 | C13 | O14 | H7 | 119.8° | 119.9° |
| C13 | P02 | N03 | C04 | 59.5° | 179.9° |
| P02 | C13 | H6 | H7 | 120.6° | 120.0° |
| C13 | P02 | N03 | H16 | 62.5° | 56.0° |
| C13 | P02 | O28 | H21 | 109.5° | 60.0° |
| N24 | C23 | C25 | C19 | 180.0° | 179.9° |
| N24 | C23 | C25 | N26 | 0.1° | 0.0° |
| C23 | N24 | H17 | H18 | 120.0° | 179.9° |
| C23 | C25 | C19 | N26 | 179.9° | 180.0° |
| C23 | C25 | C19 | N18 | 180.0° | 180.0° |
| C23 | C25 | N26 | C27 | 180.0° | 180.0° |
| C25 | C23 | N24 | H17 | 179.9° | 0.1° |
| C25 | C23 | N24 | H18 | 60.0° | 179.9° |
| C25 | C19 | N18 | C17 | 180.0° | 179.9° |
| C25 | C19 | N18 | C27 | 0.0° | 0.0° |
| C19 | C25 | N26 | C27 | 0.0° | 0.1° |
| N18 | C19 | C25 | N26 | 0.0° | 0.0° |
| C19 | N18 | C17 | C27 | 180.0° | 179.9° |
| C19 | N18 | C27 | N26 | 0.0° | 0.1° |
| C19 | N18 | C17 | H12 | 18.4° | 35.0° |
| C19 | N18 | C17 | H13 | 137.2° | 155.0° |
| C19 | N18 | C27 | H15 | 180.0° | 180.0° |
| O14 | C13 | H6 | H7 | 120.7° | 120.0° |
| C13 | O14 | C15 | H8 | 6.4° | 35.7° |
| C25 | N26 | C27 | N18 | 0.0° | 0.1° |
| C25 | N26 | C27 | H15 | 180.0° | 180.0° |
| C17 | N18 | C27 | N26 | 180.0° | 180.0° |
| N18 | C17 | C15 | H8 | 175.6° | 55.0° |
| N18 | C17 | H12 | H13 | 118.2° | 119.9° |
| C17 | N18 | C27 | H15 | 0.0° | 0.1° |
| N03 | C04 | C08 | H1 | 120.2° | 120.1° |
| N03 | C04 | C08 | C09 | 120.0° | 65.0° |
| N03 | C04 | C08 | H2 | 0.6° | 55.0° |
| N03 | C04 | C08 | H3 | 119.4° | 175.0° |
| N18 | C27 | N26 | H15 | 180.0° | 179.9° |
| C27 | N18 | C17 | H12 | 161.6° | 144.9° |
| C27 | N18 | C17 | H13 | 42.8° | 24.9° |
| C04 | C08 | C09 | H2 | 120.6° | 120.0° |
| C04 | C08 | C09 | H3 | 120.6° | 120.0° |
| C04 | C08 | C09 | C10 | 161.4° | 180.0° |
| C04 | C08 | H2 | H3 | 118.1° | 120.0° |
| C04 | C08 | C09 | H4 | 40.8° | 60.0° |
| C04 | C08 | C09 | H5 | 78.1° | 60.0° |
| C08 | C04 | N03 | H16 | 69.9° | 21.1° |
| C08 | C09 | C10 | H4 | 120.5° | 120.0° |
| C08 | C09 | C10 | H5 | 120.6° | 120.0° |
| C08 | C09 | C10 | O11 | 106.3° | 0.0° |
| C08 | C09 | C10 | O12 | 73.5° | 180.0° |
| C09 | C08 | C04 | H1 | 0.3° | 55.0° |
| C09 | C08 | H2 | H3 | 118.2° | 120.0° |
| C08 | C09 | H4 | H5 | 118.3° | 119.9° |
| C09 | C10 | O11 | O12 | 179.7° | 180.0° |
| C10 | C09 | C08 | H2 | 78.0° | 60.0° |
| C10 | C09 | C08 | H3 | 40.8° | 60.0° |
| C10 | C09 | H4 | H5 | 118.3° | 120.0° |
| C09 | C10 | O12 | H20 | 179.7° | 180.0° |
| O11 | C10 | C09 | H4 | 14.2° | 120.0° |
| O11 | C10 | C09 | H5 | 133.1° | 119.9° |
| O11 | C10 | O12 | H20 | 0.0° | 0.0° |
| O12 | C10 | C09 | H4 | 166.0° | 60.0° |
| O12 | C10 | C09 | H5 | 47.1° | 60.0° |
| H1 | C04 | C08 | H2 | 120.9° | 175.0° |
| H1 | C04 | C08 | H3 | 120.3° | 64.9° |
| H1 | C04 | N03 | H16 | 49.8° | 98.9° |
| H2 | C08 | C09 | H4 | 161.4° | 180.0° |
| H2 | C08 | C09 | H5 | 42.5° | 60.0° |
| H3 | C08 | C09 | H4 | 79.8° | 60.0° |
| H3 | C08 | C09 | H5 | 161.3° | NaN° |
| H8 | C15 | C16 | H9 | 55.4° | 64.9° |
| H8 | C15 | C16 | H10 | 175.4° | 55.1° |
| H8 | C15 | C16 | H11 | 64.6° | 175.1° |
| H8 | C15 | C17 | H12 | 63.8° | 175.0° |
| H8 | C15 | C17 | H13 | 55.0° | 64.9° |
| H9 | C16 | H10 | H11 | 120.0° | 120.0° |
