RE1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N2 | C4 | sing | 1.48Å | 1.54Å | |
| N2 | H1 | sing | 1.03Å | 1.02Å | |
| N2 | H2 | sing | 1.03Å | 1.02Å | |
| N2 | H3 | sing | 1.03Å | 1.02Å | |
| C4 | C5 | sing | 1.51Å | 1.54Å | |
| C4 | H4 | sing | 1.09Å | 1.11Å | |
| C4 | H5 | sing | 1.09Å | 1.12Å | |
| C5 | N3 | sing | 1.38Å | 1.35Å | |
| C5 | O3 | doub | 1.23Å | 1.20Å | |
| N3 | C6 | sing | 1.45Å | 1.46Å | |
| N3 | H6 | sing | 1.02Å | 1.02Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C13 | sing | 1.54Å | 1.53Å | |
| C6 | H7 | sing | 1.10Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | H8 | sing | 1.10Å | 1.11Å | |
| C7 | H9 | sing | 1.10Å | 1.12Å | |
| C8 | C9 | sing | 1.53Å | 1.58Å | |
| C8 | H10 | sing | 1.10Å | 1.11Å | |
| C8 | H11 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.53Å | 1.52Å | |
| C9 | H12 | sing | 1.10Å | 1.12Å | |
| C9 | H13 | sing | 1.10Å | 1.11Å | |
| C10 | C11 | sing | 1.52Å | 1.52Å | |
| C10 | H14 | sing | 1.10Å | 1.12Å | |
| C10 | H15 | sing | 1.10Å | 1.12Å | |
| C11 | N4 | sing | 1.38Å | 1.33Å | |
| C11 | O6 | doub | 1.23Å | 1.20Å | |
| N4 | C12 | sing | 1.45Å | 1.48Å | |
| N4 | H16 | sing | 1.02Å | 1.02Å | |
| C12 | P1 | sing | 1.83Å | 1.82Å | |
| C12 | C14 | sing | 1.52Å | 1.55Å | |
| C12 | H17 | sing | 1.10Å | 1.11Å | |
| P1 | O7 | doub | 1.51Å | 1.48Å | |
| P1 | O8 | sing | 1.51Å | 1.49Å | |
| C13 | O4 | doub | 1.26Å | 1.26Å | |
| C13 | O5 | sing | 1.26Å | 1.24Å | |
| C14 | H18 | sing | 1.09Å | 1.12Å | |
| C14 | H19 | sing | 1.09Å | 1.11Å | |
| C14 | H20 | sing | 1.09Å | 1.12Å | |
| P1 | O9 | sing | 1.63Å | 42.91Å | |
| O9 | H9O | sing | 0.98Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C4 | N2 | H1 | 106.3° | 111.0° |
| C4 | N2 | H2 | 113.3° | 111.0° |
| C4 | N2 | H3 | 113.3° | 111.0° |
| N2 | C4 | C5 | 106.4° | 111.4° |
| N2 | C4 | H4 | 113.4° | 107.0° |
| N2 | C4 | H5 | 113.4° | 107.1° |
| H1 | N2 | H2 | 113.4° | 107.9° |
| H1 | N2 | H3 | 113.5° | 107.9° |
| H2 | N2 | H3 | 97.1° | 107.9° |
| C5 | C4 | H4 | 113.3° | 110.5° |
| C5 | C4 | H5 | 113.3° | 110.4° |
| C4 | C5 | N3 | 113.6° | 111.5° |
| C4 | C5 | O3 | 122.7° | 123.3° |
| H4 | C4 | H5 | 97.1° | 110.4° |
| N3 | C5 | O3 | 123.7° | 125.2° |
| C5 | N3 | C6 | 125.1° | 122.1° |
| C5 | N3 | H6 | 113.1° | 119.9° |
| C6 | N3 | H6 | 121.8° | 118.0° |
| N3 | C6 | C7 | 112.8° | 110.1° |
| N3 | C6 | C13 | 108.2° | 113.4° |
| N3 | C6 | H7 | 107.8° | 105.2° |
| C7 | C6 | C13 | 108.3° | 114.6° |
| C7 | C6 | H7 | 107.6° | 107.5° |
| C6 | C7 | C8 | 114.7° | 114.0° |
| C6 | C7 | H8 | 110.3° | 108.9° |
| C6 | C7 | H9 | 110.3° | 109.4° |
| C13 | C6 | H7 | 112.3° | 105.4° |
| C6 | C13 | O4 | 121.8° | 115.4° |
| C6 | C13 | O5 | 111.8° | 115.8° |
| C8 | C7 | H8 | 110.3° | 108.8° |
| C8 | C7 | H9 | 110.3° | 109.0° |
| C7 | C8 | C9 | 105.0° | 111.1° |
| C7 | C8 | H10 | 113.9° | 110.2° |
| C7 | C8 | H11 | 113.9° | 109.5° |
| H8 | C7 | H9 | 99.9° | 106.4° |
| C9 | C8 | H10 | 113.9° | 109.3° |
| C9 | C8 | H11 | 113.9° | 109.5° |
| C8 | C9 | C10 | 117.0° | 112.7° |
| C8 | C9 | H12 | 109.5° | 109.1° |
| C8 | C9 | H13 | 109.5° | 109.4° |
| H10 | C8 | H11 | 96.6° | 107.3° |
| C10 | C9 | H12 | 109.5° | 108.4° |
| C10 | C9 | H13 | 109.4° | 109.9° |
| C9 | C10 | C11 | 111.7° | 111.5° |
| C9 | C10 | H14 | 111.4° | 109.6° |
| C9 | C10 | H15 | 111.4° | 110.7° |
| H12 | C9 | H13 | 100.6° | 107.1° |
| C11 | C10 | H14 | 111.4° | 107.2° |
| C11 | C10 | H15 | 111.4° | 110.9° |
| C10 | C11 | N4 | 115.5° | 112.9° |
| C10 | C11 | O6 | 120.3° | 121.7° |
| H14 | C10 | H15 | 99.0° | 106.8° |
| N4 | C11 | O6 | 124.1° | 125.4° |
| C11 | N4 | C12 | 121.3° | 122.8° |
| C11 | N4 | H16 | 113.8° | 118.7° |
| C12 | N4 | H16 | 124.9° | 118.5° |
| N4 | C12 | P1 | 105.7° | 105.3° |
| N4 | C12 | C14 | 111.3° | 110.7° |
| N4 | C12 | H17 | 111.4° | 108.7° |
| P1 | C12 | C14 | 111.4° | 113.8° |
| P1 | C12 | H17 | 111.3° | 108.5° |
| C12 | P1 | O7 | 110.7° | 108.7° |
| C12 | P1 | O8 | 110.3° | 107.7° |
| C12 | P1 | O9 | 93.5° | 99.5° |
| C14 | C12 | H17 | 105.8° | 109.6° |
| C12 | C14 | H18 | 111.3° | 111.2° |
| C12 | C14 | H19 | 111.6° | 111.1° |
| C12 | C14 | H20 | 111.6° | 110.7° |
| O7 | P1 | O8 | 119.2° | 122.2° |
| O7 | P1 | O9 | 155.4° | 106.8° |
| O8 | P1 | O9 | 51.7° | 109.6° |
| O4 | C13 | O5 | 126.3° | 128.8° |
| H18 | C14 | H19 | 111.5° | 107.7° |
| H18 | C14 | H20 | 111.5° | 108.3° |
| H19 | C14 | H20 | 98.8° | 107.7° |
| P1 | O9 | H9O | 90.0° | 118.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C4 | N2 | H1 | H2 | 125.2° | 121.9° |
| C4 | N2 | H1 | H3 | 125.2° | 121.8° |
| C4 | N2 | H2 | H3 | 119.2° | 121.8° |
| N2 | C4 | C5 | H4 | 125.3° | 118.8° |
| N2 | C4 | C5 | H5 | 125.3° | 118.8° |
| N2 | C4 | H4 | H5 | 119.4° | 116.2° |
| N2 | C4 | C5 | N3 | 169.2° | 180.0° |
| N2 | C4 | C5 | O3 | 10.4° | 0.0° |
| H1 | N2 | H2 | H3 | 119.4° | 116.3° |
| H1 | N2 | C4 | C5 | 180.0° | 65.8° |
| H1 | N2 | C4 | H4 | 54.8° | 173.4° |
| H1 | N2 | C4 | H5 | 54.8° | 55.0° |
| H2 | N2 | C4 | C5 | 54.7° | 54.3° |
| H2 | N2 | C4 | H4 | 70.5° | 66.6° |
| H2 | N2 | C4 | H5 | 180.0° | 175.1° |
| H3 | N2 | C4 | C5 | 54.7° | 174.3° |
| H3 | N2 | C4 | H4 | 179.9° | 53.4° |
| H3 | N2 | C4 | H5 | 70.5° | 64.9° |
| C5 | C4 | H4 | H5 | 119.2° | 122.4° |
| C4 | C5 | N3 | O3 | 179.7° | 180.0° |
| C4 | C5 | N3 | C6 | 177.3° | 179.9° |
| C4 | C5 | N3 | H6 | 2.7° | 1.5° |
| H4 | C4 | C5 | N3 | 65.5° | 61.2° |
| H4 | C4 | C5 | O3 | 114.8° | 118.8° |
| H5 | C4 | C5 | N3 | 44.0° | 61.1° |
| H5 | C4 | C5 | O3 | 135.7° | 118.8° |
| C5 | N3 | C6 | H6 | 180.0° | 178.6° |
| C5 | N3 | C6 | C7 | 116.1° | 85.6° |
| C5 | N3 | C6 | C13 | 124.2° | 144.6° |
| C5 | N3 | C6 | H7 | 2.6° | 29.9° |
| O3 | C5 | N3 | C6 | 3.0° | 0.1° |
| O3 | C5 | N3 | H6 | 177.0° | 178.5° |
| N3 | C6 | C7 | C13 | 119.7° | 129.2° |
| N3 | C6 | C7 | H7 | 118.8° | 114.1° |
| N3 | C6 | C13 | H7 | 118.8° | 114.6° |
| N3 | C6 | C7 | C8 | 55.9° | 67.5° |
| N3 | C6 | C7 | H8 | 69.4° | 170.8° |
| N3 | C6 | C7 | H9 | 178.9° | 54.8° |
| N3 | C6 | C13 | O4 | 30.7° | 155.4° |
| N3 | C6 | C13 | O5 | 153.2° | 23.2° |
| H6 | N3 | C6 | C7 | 63.9° | 93.0° |
| H6 | N3 | C6 | C13 | 55.8° | 36.8° |
| H6 | N3 | C6 | H7 | 177.5° | 151.5° |
| C7 | C6 | C13 | H7 | 118.7° | 117.9° |
| C6 | C7 | C8 | H8 | 125.3° | 121.8° |
| C6 | C7 | C8 | H9 | 125.3° | 122.5° |
| C6 | C7 | H8 | H9 | 116.1° | 117.9° |
| C6 | C7 | C8 | C9 | 172.9° | 178.2° |
| C6 | C7 | C8 | H10 | 47.7° | 57.0° |
| C6 | C7 | C8 | H11 | 61.8° | 60.8° |
| C7 | C6 | C13 | O4 | 91.8° | 27.9° |
| C7 | C6 | C13 | O5 | 84.3° | 150.7° |
| C13 | C6 | C7 | C8 | 175.5° | 61.7° |
| C13 | C6 | C7 | H8 | 50.2° | 60.0° |
| C13 | C6 | C7 | H9 | 59.2° | 176.0° |
| C6 | C13 | O4 | O5 | 175.6° | 178.4° |
| H7 | C6 | C7 | C8 | 62.9° | 178.5° |
| H7 | C6 | C7 | H8 | 171.8° | 56.7° |
| H7 | C6 | C7 | H9 | 62.4° | 59.2° |
| H7 | C6 | C13 | O4 | 149.5° | 90.0° |
| H7 | C6 | C13 | O5 | 34.3° | 91.4° |
| C8 | C7 | H8 | H9 | 116.1° | 117.3° |
| C7 | C8 | C9 | H10 | 125.2° | 121.7° |
| C7 | C8 | C9 | H11 | 125.3° | 121.0° |
| C7 | C8 | H10 | H11 | 119.9° | 119.1° |
| C7 | C8 | C9 | C10 | 65.4° | 178.2° |
| C7 | C8 | C9 | H12 | 59.9° | 61.3° |
| C7 | C8 | C9 | H13 | 169.4° | 55.6° |
| H8 | C7 | C8 | C9 | 61.8° | 60.0° |
| H8 | C7 | C8 | H10 | 173.0° | 178.8° |
| H8 | C7 | C8 | H11 | 63.5° | 61.0° |
| H9 | C7 | C8 | C9 | 47.7° | 55.6° |
| H9 | C7 | C8 | H10 | 77.5° | 65.6° |
| H9 | C7 | C8 | H11 | 172.9° | 176.6° |
| C9 | C8 | H10 | H11 | 119.8° | 118.6° |
| C8 | C9 | C10 | H12 | 125.3° | 120.9° |
| C8 | C9 | C10 | H13 | 125.3° | 122.4° |
| C8 | C9 | H12 | H13 | 115.3° | 118.3° |
| C8 | C9 | C10 | C11 | 167.3° | 179.1° |
| C8 | C9 | C10 | H14 | 42.0° | 62.4° |
| C8 | C9 | C10 | H15 | 67.5° | 55.1° |
| H10 | C8 | C9 | C10 | 169.4° | 60.0° |
| H10 | C8 | C9 | H12 | 65.4° | 60.4° |
| H10 | C8 | C9 | H13 | 44.1° | 177.3° |
| H11 | C8 | C9 | C10 | 59.9° | 57.2° |
| H11 | C8 | C9 | H12 | 174.8° | 177.7° |
| H11 | C8 | C9 | H13 | 65.4° | 65.5° |
| C10 | C9 | H12 | H13 | 115.2° | 118.6° |
| C9 | C10 | C11 | H14 | 125.3° | 119.9° |
| C9 | C10 | C11 | H15 | 125.2° | 123.9° |
| C9 | C10 | H14 | H15 | 117.3° | 119.9° |
| C9 | C10 | C11 | N4 | 91.6° | 180.0° |
| C9 | C10 | C11 | O6 | 86.6° | 1.4° |
| H12 | C9 | C10 | C11 | 67.4° | 60.0° |
| H12 | C9 | C10 | H14 | 167.3° | 58.5° |
| H12 | C9 | C10 | H15 | 57.8° | 176.0° |
| H13 | C9 | C10 | C11 | 42.0° | 56.7° |
| H13 | C9 | C10 | H14 | 83.3° | 175.2° |
| H13 | C9 | C10 | H15 | 167.2° | 67.3° |
| C11 | C10 | H14 | H15 | 117.3° | 118.9° |
| C10 | C11 | N4 | O6 | 178.0° | 178.5° |
| C10 | C11 | N4 | C12 | 179.7° | 178.5° |
| C10 | C11 | N4 | H16 | 0.2° | 1.4° |
| H14 | C10 | C11 | N4 | 143.1° | 60.1° |
| H14 | C10 | C11 | O6 | 38.8° | 121.3° |
| H15 | C10 | C11 | N4 | 33.7° | 56.1° |
| H15 | C10 | C11 | O6 | 148.2° | 122.5° |
| C11 | N4 | C12 | H16 | 180.0° | 179.9° |
| C11 | N4 | C12 | P1 | 108.4° | 148.2° |
| C11 | N4 | C12 | C14 | 130.6° | 88.3° |
| C11 | N4 | C12 | H17 | 12.8° | 32.1° |
| O6 | C11 | N4 | C12 | 2.2° | 0.0° |
| O6 | C11 | N4 | H16 | 177.8° | 180.0° |
| N4 | C12 | P1 | C14 | 121.0° | 121.4° |
| N4 | C12 | P1 | H17 | 121.2° | 116.2° |
| N4 | C12 | C14 | H17 | 121.2° | 119.8° |
| N4 | C12 | P1 | O7 | 70.9° | 72.9° |
| N4 | C12 | P1 | O8 | 63.2° | 61.4° |
| N4 | C12 | C14 | H18 | 180.0° | 60.9° |
| N4 | C12 | C14 | H19 | 54.8° | 59.0° |
| N4 | C12 | C14 | H20 | 54.7° | 178.6° |
| N4 | C12 | P1 | O9 | 113.4° | 175.6° |
| H16 | N4 | C12 | P1 | 71.6° | 31.9° |
| H16 | N4 | C12 | C14 | 49.4° | 91.6° |
| H16 | N4 | C12 | H17 | 167.3° | 148.0° |
| P1 | C12 | C14 | H17 | 121.1° | 121.8° |
| C12 | P1 | O7 | O8 | 129.5° | 126.4° |
| C12 | P1 | O7 | O9 | 169.7° | 106.5° |
| C12 | P1 | O8 | O9 | 77.9° | 107.3° |
| P1 | C12 | C14 | H18 | 62.3° | 179.3° |
| P1 | C12 | C14 | H19 | 62.9° | 59.4° |
| P1 | C12 | C14 | H20 | 172.4° | 60.2° |
| C12 | P1 | O9 | H9O | 90.0° | 114.5° |
| C14 | C12 | P1 | O7 | 168.1° | 165.6° |
| C14 | C12 | P1 | O8 | 57.8° | 60.0° |
| C12 | C14 | H18 | H19 | 125.3° | 121.9° |
| C12 | C14 | H18 | H20 | 125.3° | 121.9° |
| C12 | C14 | H19 | H20 | 117.5° | 121.4° |
| C14 | C12 | P1 | O9 | 7.6° | 54.2° |
| H17 | C12 | P1 | O7 | 50.3° | 43.3° |
| H17 | C12 | P1 | O8 | 175.6° | 177.6° |
| H17 | C12 | C14 | H18 | 58.8° | 58.9° |
| H17 | C12 | C14 | H19 | 175.9° | 178.9° |
| H17 | C12 | C14 | H20 | 66.5° | 61.6° |
| H17 | C12 | P1 | O9 | 125.4° | 68.1° |
| O7 | P1 | O8 | O9 | 152.4° | 125.9° |
| O7 | P1 | O9 | H9O | 90.0° | 132.6° |
| O8 | P1 | O9 | H9O | 90.0° | 1.7° |
| H18 | C14 | H19 | H20 | 117.4° | 116.7° |
