I1V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O18 | C16 | doub | 1.21Å | 1.16Å | |
| N17 | C16 | sing | 1.35Å | 1.46Å | |
| C16 | C14 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| C12 | C11 | sing | 1.53Å | 1.57Å | |
| C14 | N15 | sing | 1.47Å | 1.47Å | |
| C14 | C13 | sing | 1.53Å | 1.55Å | |
| C11 | C10 | sing | 1.53Å | 1.48Å | |
| C10 | C19 | sing | 1.53Å | 1.57Å | |
| C10 | N09 | sing | 1.47Å | 1.45Å | |
| C19 | O26 | sing | 1.43Å | 1.22Å | |
| C07 | C08 | sing | 1.51Å | 1.52Å | |
| C07 | C06 | sing | 1.53Å | 1.55Å | |
| N09 | C08 | sing | 1.35Å | 1.45Å | |
| C08 | O27 | doub | 1.21Å | 1.16Å | |
| C06 | C02 | sing | 1.53Å | 1.53Å | |
| N01 | C02 | sing | 1.47Å | 1.46Å | |
| C02 | C03 | sing | 1.51Å | 1.54Å | |
| C03 | O05 | doub | 1.21Å | 1.19Å | |
| C03 | N04 | sing | 1.35Å | 1.45Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.09Å | 1.10Å | |
| C02 | H4 | sing | 1.09Å | 1.10Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C06 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C07 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| N01 | H16 | sing | 1.01Å | 1.00Å | |
| N01 | H17 | sing | 1.01Å | 1.00Å | |
| N04 | H19 | sing | 0.97Å | 1.00Å | |
| N04 | H20 | sing | 0.97Å | 1.00Å | |
| N09 | H21 | sing | 0.97Å | 1.00Å | |
| N15 | H22 | sing | 1.01Å | 1.00Å | |
| N15 | H23 | sing | 1.01Å | 1.00Å | |
| N17 | H25 | sing | 0.97Å | 1.00Å | |
| N17 | H26 | sing | 0.97Å | 1.00Å | |
| O26 | H27 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O18 | C16 | N17 | 120.8° | 120.0° |
| O18 | C16 | C14 | 120.9° | 120.0° |
| N17 | C16 | C14 | 118.3° | 120.0° |
| C16 | N17 | H25 | 120.0° | 120.0° |
| C16 | N17 | H26 | 120.0° | 120.0° |
| C16 | C14 | N15 | 112.0° | 109.4° |
| C16 | C14 | C13 | 113.4° | 109.5° |
| C16 | C14 | H13 | 107.8° | 109.4° |
| C13 | C12 | C11 | 109.9° | 109.5° |
| C12 | C13 | C14 | 120.5° | 109.5° |
| C12 | C13 | H2 | 106.7° | 109.5° |
| C12 | C13 | H3 | 106.6° | 109.4° |
| C13 | C12 | H11 | 109.4° | 109.5° |
| C13 | C12 | H12 | 109.4° | 109.5° |
| C12 | C11 | C10 | 117.6° | 109.5° |
| C12 | C11 | H9 | 107.4° | 109.4° |
| C12 | C11 | H10 | 107.4° | 109.4° |
| C11 | C12 | H11 | 109.4° | 109.4° |
| C11 | C12 | H12 | 109.4° | 109.4° |
| N15 | C14 | C13 | 107.5° | 109.5° |
| N15 | C14 | H13 | 108.5° | 109.5° |
| C14 | N15 | H22 | 109.5° | 111.0° |
| C14 | N15 | H23 | 109.5° | 111.0° |
| C14 | C13 | H2 | 106.6° | 109.5° |
| C14 | C13 | H3 | 106.7° | 109.5° |
| C13 | C14 | H13 | 107.5° | 109.5° |
| C11 | C10 | C19 | 98.2° | 109.5° |
| C11 | C10 | N09 | 131.0° | 109.4° |
| C11 | C10 | H1 | 112.1° | 109.4° |
| C10 | C11 | H9 | 107.4° | 109.5° |
| C10 | C11 | H10 | 107.4° | 109.5° |
| C19 | C10 | N09 | 83.8° | 109.5° |
| C10 | C19 | O26 | 110.2° | 109.5° |
| C19 | C10 | H1 | 110.9° | 109.5° |
| C10 | C19 | H14 | 109.3° | 109.4° |
| C10 | C19 | H15 | 109.3° | 109.5° |
| C10 | N09 | C08 | 131.8° | 120.0° |
| N09 | C10 | H1 | 112.6° | 109.5° |
| C10 | N09 | H21 | 114.1° | 120.0° |
| O26 | C19 | H14 | 109.3° | 109.5° |
| O26 | C19 | H15 | 109.2° | 109.5° |
| C19 | O26 | H27 | 109.5° | 114.0° |
| C08 | C07 | C06 | 109.1° | 109.5° |
| C07 | C08 | N09 | 129.1° | 120.0° |
| C07 | C08 | O27 | 116.6° | 120.0° |
| C08 | C07 | H7 | 109.6° | 109.5° |
| C08 | C07 | H8 | 109.6° | 109.5° |
| C07 | C06 | C02 | 114.5° | 109.5° |
| C07 | C06 | H5 | 108.2° | 109.5° |
| C07 | C06 | H6 | 108.2° | 109.5° |
| C06 | C07 | H7 | 109.6° | 109.5° |
| C06 | C07 | H8 | 109.6° | 109.5° |
| N09 | C08 | O27 | 114.2° | 120.0° |
| C08 | N09 | H21 | 114.1° | 120.0° |
| C06 | C02 | N01 | 110.0° | 109.5° |
| C06 | C02 | C03 | 109.5° | 109.4° |
| C06 | C02 | H4 | 108.6° | 109.4° |
| C02 | C06 | H5 | 108.2° | 109.5° |
| C02 | C06 | H6 | 108.2° | 109.5° |
| N01 | C02 | C03 | 110.5° | 109.5° |
| N01 | C02 | H4 | 109.6° | 109.5° |
| C02 | N01 | H16 | 109.5° | 111.0° |
| C02 | N01 | H17 | 109.5° | 111.0° |
| C02 | C03 | O05 | 121.0° | 120.0° |
| C02 | C03 | N04 | 119.7° | 120.0° |
| C03 | C02 | H4 | 108.6° | 109.5° |
| O05 | C03 | N04 | 119.3° | 120.0° |
| C03 | N04 | H19 | 120.0° | 120.0° |
| C03 | N04 | H20 | 120.0° | 120.0° |
| H2 | C13 | H3 | 109.4° | 109.5° |
| H5 | C06 | H6 | 109.5° | 109.5° |
| H7 | C07 | H8 | 109.4° | 109.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.4° | 109.5° |
| H14 | C19 | H15 | 109.5° | 109.5° |
| H16 | N01 | H17 | 109.4° | 111.0° |
| H19 | N04 | H20 | 120.0° | 120.0° |
| H22 | N15 | H23 | 109.5° | 111.0° |
| H25 | N17 | H26 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O18 | C16 | N17 | C14 | 179.5° | 179.8° |
| O18 | C16 | C14 | N15 | 75.8° | 20.1° |
| O18 | C16 | C14 | C13 | 46.1° | 99.9° |
| O18 | C16 | C14 | H13 | 164.9° | 140.1° |
| O18 | C16 | N17 | H25 | 0.0° | 180.0° |
| O18 | C16 | N17 | H26 | 180.0° | 0.1° |
| N17 | C16 | C14 | N15 | 104.8° | 160.1° |
| N17 | C16 | C14 | C13 | 133.4° | 80.0° |
| N17 | C16 | C14 | H13 | 14.5° | 40.1° |
| C16 | N17 | H25 | H26 | 180.0° | 179.9° |
| C16 | C14 | C13 | C12 | 48.1° | 175.0° |
| C16 | C14 | N15 | C13 | 125.2° | 120.0° |
| C16 | C14 | N15 | H13 | 118.8° | 120.0° |
| C16 | C14 | C13 | H13 | 119.0° | 120.0° |
| C16 | C14 | C13 | H2 | 73.5° | 65.0° |
| C16 | C14 | C13 | H3 | 169.6° | 55.0° |
| C16 | C14 | N15 | H22 | 180.0° | 60.1° |
| C16 | C14 | N15 | H23 | 60.0° | 64.0° |
| C14 | C16 | N17 | H25 | 179.4° | 0.1° |
| C14 | C16 | N17 | H26 | 0.5° | 180.0° |
| C13 | C12 | C11 | H11 | 120.0° | 120.0° |
| C13 | C12 | C11 | H12 | 120.1° | 120.0° |
| C12 | C13 | C14 | N15 | 76.2° | 65.0° |
| C12 | C13 | C14 | H2 | 121.6° | 120.0° |
| C12 | C13 | C14 | H3 | 121.6° | 120.0° |
| C13 | C12 | C11 | C10 | 108.1° | 180.0° |
| C12 | C13 | H2 | H3 | 115.0° | 120.0° |
| C13 | C12 | C11 | H9 | 13.0° | 60.0° |
| C13 | C12 | C11 | H10 | 130.7° | 60.0° |
| C13 | C12 | H11 | H12 | 119.8° | 120.0° |
| C12 | C13 | C14 | H13 | 167.1° | 55.0° |
| C11 | C12 | C13 | C14 | 178.4° | 180.0° |
| C12 | C11 | C10 | H9 | 121.2° | 120.0° |
| C12 | C11 | C10 | H10 | 121.1° | 120.0° |
| C12 | C11 | C10 | C19 | 49.4° | 175.0° |
| C12 | C11 | C10 | N09 | 138.2° | 65.0° |
| C12 | C11 | C10 | H1 | 67.2° | 55.0° |
| C11 | C12 | C13 | H2 | 56.8° | 60.0° |
| C11 | C12 | C13 | H3 | 60.0° | 60.0° |
| C12 | C11 | H9 | H10 | 116.3° | 119.9° |
| C11 | C12 | H11 | H12 | 119.9° | 120.0° |
| N15 | C14 | C13 | H13 | 116.7° | 120.0° |
| N15 | C14 | C13 | H2 | 162.2° | 55.0° |
| N15 | C14 | C13 | H3 | 45.3° | 175.0° |
| C14 | N15 | H22 | H23 | 120.0° | 124.0° |
| C14 | C13 | H2 | H3 | 115.0° | 120.0° |
| C14 | C13 | C12 | H11 | 58.3° | 60.0° |
| C14 | C13 | C12 | H12 | 61.5° | 60.0° |
| C13 | C14 | N15 | H22 | 54.8° | 59.9° |
| C13 | C14 | N15 | H23 | 65.2° | 176.0° |
| C11 | C10 | C19 | N09 | 130.6° | 120.0° |
| C11 | C10 | C19 | H1 | 117.5° | 120.0° |
| C11 | C10 | N09 | H1 | 154.5° | 119.9° |
| C11 | C10 | C19 | O26 | 49.3° | 55.0° |
| C11 | C10 | N09 | C08 | 85.9° | 155.0° |
| C10 | C11 | H9 | H10 | 116.3° | 120.0° |
| C10 | C11 | C12 | H11 | 131.8° | 60.0° |
| C10 | C11 | C12 | H12 | 12.0° | 60.0° |
| C11 | C10 | C19 | H14 | 169.4° | 175.0° |
| C11 | C10 | C19 | H15 | 70.8° | 65.0° |
| C11 | C10 | N09 | H21 | 94.1° | 25.0° |
| C19 | C10 | N09 | H1 | 110.1° | 120.1° |
| C10 | C19 | O26 | H14 | 120.1° | 120.0° |
| C10 | C19 | O26 | H15 | 120.1° | 120.0° |
| C19 | C10 | N09 | C08 | 178.7° | 85.0° |
| C19 | C10 | C11 | H9 | 71.8° | 65.0° |
| C19 | C10 | C11 | H10 | 170.5° | 55.0° |
| C10 | C19 | H14 | H15 | 119.7° | 120.0° |
| C19 | C10 | N09 | H21 | 1.3° | 95.0° |
| C10 | C19 | O26 | H27 | 180.0° | 180.0° |
| N09 | C10 | C19 | O26 | 81.3° | 65.0° |
| C10 | N09 | C08 | C07 | 2.3° | 180.0° |
| C10 | N09 | C08 | H21 | 180.0° | 180.0° |
| C10 | N09 | C08 | O27 | 178.9° | 0.0° |
| N09 | C10 | C11 | H9 | 17.1° | 55.0° |
| N09 | C10 | C11 | H10 | 100.6° | 175.0° |
| N09 | C10 | C19 | H14 | 38.8° | 55.0° |
| N09 | C10 | C19 | H15 | 158.6° | 175.0° |
| O26 | C19 | C10 | H1 | 166.8° | 175.0° |
| O26 | C19 | H14 | H15 | 119.6° | 120.0° |
| C08 | C07 | C06 | H7 | 120.0° | 120.0° |
| C08 | C07 | C06 | H8 | 120.0° | 120.0° |
| C07 | C08 | N09 | O27 | 176.7° | 180.0° |
| C08 | C07 | C06 | C02 | 46.6° | 180.0° |
| C08 | C07 | C06 | H5 | 167.4° | 60.0° |
| C08 | C07 | C06 | H6 | 74.1° | 60.0° |
| C08 | C07 | H7 | H8 | 120.2° | 120.0° |
| C07 | C08 | N09 | H21 | 177.7° | 0.0° |
| C06 | C07 | C08 | N09 | 155.4° | 180.0° |
| C06 | C07 | C08 | O27 | 21.2° | 0.0° |
| C07 | C06 | C02 | H5 | 120.7° | 120.0° |
| C07 | C06 | C02 | H6 | 120.7° | 120.0° |
| C07 | C06 | C02 | N01 | 106.6° | 65.0° |
| C07 | C06 | C02 | C03 | 131.8° | 175.0° |
| C07 | C06 | C02 | H4 | 13.4° | 55.0° |
| C07 | C06 | H5 | H6 | 117.7° | 120.0° |
| C06 | C07 | H7 | H8 | 120.1° | 120.0° |
| C08 | N09 | C10 | H1 | 68.6° | 35.1° |
| N09 | C08 | C07 | H7 | 35.4° | 60.0° |
| N09 | C08 | C07 | H8 | 84.7° | 60.0° |
| O27 | C08 | C07 | H7 | 141.2° | 120.0° |
| O27 | C08 | C07 | H8 | 98.7° | 120.0° |
| O27 | C08 | N09 | H21 | 1.1° | 180.0° |
| C06 | C02 | N01 | C03 | 121.0° | 120.0° |
| C06 | C02 | N01 | H4 | 119.4° | 120.0° |
| C06 | C02 | C03 | H4 | 118.4° | 120.0° |
| C06 | C02 | C03 | O05 | 70.5° | 100.0° |
| C06 | C02 | C03 | N04 | 110.2° | 80.0° |
| C02 | C06 | H5 | H6 | 117.7° | 120.0° |
| C02 | C06 | C07 | H7 | 73.3° | 60.0° |
| C02 | C06 | C07 | H8 | 166.6° | 60.0° |
| C06 | C02 | N01 | H16 | 180.0° | 64.0° |
| C06 | C02 | N01 | H17 | 60.0° | 60.0° |
| N01 | C02 | C03 | H4 | 120.3° | 120.0° |
| N01 | C02 | C03 | O05 | 50.8° | 20.0° |
| N01 | C02 | C03 | N04 | 128.5° | 160.0° |
| N01 | C02 | C06 | H5 | 14.2° | 175.0° |
| N01 | C02 | C06 | H6 | 132.7° | 55.0° |
| C02 | N01 | H16 | H17 | 120.0° | 124.0° |
| C02 | C03 | O05 | N04 | 179.3° | 180.0° |
| C03 | C02 | C06 | H5 | 107.5° | 55.0° |
| C03 | C02 | C06 | H6 | 11.1° | 65.0° |
| C03 | C02 | N01 | H16 | 59.0° | 176.0° |
| C03 | C02 | N01 | H17 | 179.0° | 60.0° |
| C02 | C03 | N04 | H19 | 179.3° | 0.0° |
| C02 | C03 | N04 | H20 | 0.7° | 180.0° |
| O05 | C03 | C02 | H4 | 171.1° | 140.0° |
| O05 | C03 | N04 | H19 | 0.0° | 180.0° |
| O05 | C03 | N04 | H20 | 180.0° | 0.0° |
| N04 | C03 | C02 | H4 | 8.2° | 40.0° |
| C03 | N04 | H19 | H20 | 180.0° | 180.0° |
| H1 | C10 | C11 | H9 | 171.7° | 175.0° |
| H1 | C10 | C11 | H10 | 54.0° | 65.0° |
| H1 | C10 | C19 | H14 | 73.1° | 65.0° |
| H1 | C10 | C19 | H15 | 46.7° | 55.0° |
| H1 | C10 | N09 | H21 | 111.4° | 144.9° |
| H2 | C13 | C12 | H11 | 63.2° | 60.0° |
| H2 | C13 | C12 | H12 | 176.9° | 179.9° |
| H2 | C13 | C14 | H13 | 45.5° | 175.0° |
| H3 | C13 | C12 | H11 | 179.9° | 180.0° |
| H3 | C13 | C12 | H12 | 60.1° | 60.0° |
| H3 | C13 | C14 | H13 | 71.3° | 65.0° |
| H4 | C02 | C06 | H5 | 134.2° | 65.0° |
| H4 | C02 | C06 | H6 | 107.3° | 175.0° |
| H4 | C02 | N01 | H16 | 60.6° | 56.0° |
| H4 | C02 | N01 | H17 | 59.4° | 180.0° |
| H5 | C06 | C07 | H7 | 47.4° | 180.0° |
| H5 | C06 | C07 | H8 | 72.7° | 60.0° |
| H6 | C06 | C07 | H7 | 166.0° | 60.0° |
| H6 | C06 | C07 | H8 | 45.9° | 180.0° |
| H9 | C11 | C12 | H11 | 107.0° | 60.0° |
| H9 | C11 | C12 | H12 | 133.1° | 180.0° |
| H10 | C11 | C12 | H11 | 10.7° | 180.0° |
| H10 | C11 | C12 | H12 | 109.2° | 60.0° |
| H13 | C14 | N15 | H22 | 61.2° | 180.0° |
| H13 | C14 | N15 | H23 | 178.9° | 56.0° |
| H14 | C19 | O26 | H27 | 59.9° | 60.0° |
| H15 | C19 | O26 | H27 | 59.9° | 60.0° |
