3VN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N10 | C09 | sing | 1.47Å | 1.43Å | |
| C09 | C08 | sing | 1.53Å | 1.49Å | |
| C08 | C07 | sing | 1.53Å | 1.49Å | |
| C07 | C06 | sing | 1.53Å | 1.49Å | |
| O04 | C03 | doub | 1.21Å | 1.26Å | |
| C06 | C02 | sing | 1.53Å | 1.49Å | |
| O05 | C03 | sing | 1.34Å | 1.26Å | |
| C03 | C02 | sing | 1.51Å | 1.50Å | |
| N01 | C02 | sing | 1.47Å | 1.44Å | |
| C02 | C11 | sing | 1.53Å | 1.50Å | |
| C11 | C12 | sing | 1.53Å | 1.50Å | |
| C12 | C13 | sing | 1.53Å | 1.49Å | |
| C13 | N14 | sing | 1.47Å | 1.43Å | |
| C13 | C15 | sing | 1.53Å | 1.49Å | |
| C13 | C20 | sing | 1.51Å | 1.49Å | |
| C15 | C16 | sing | 1.53Å | 1.49Å | |
| C20 | O21 | doub | 1.21Å | 1.26Å | |
| C20 | O22 | sing | 1.34Å | 1.26Å | |
| C16 | C17 | sing | 1.53Å | 1.49Å | |
| C17 | C18 | sing | 1.53Å | 1.49Å | |
| C18 | N19 | sing | 1.47Å | 1.44Å | |
| N01 | H1 | sing | 1.01Å | 1.00Å | |
| N01 | H2 | sing | 1.01Å | 1.00Å | |
| O05 | H4 | sing | 0.97Å | 0.95Å | |
| C06 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| N10 | H11 | sing | 1.01Å | 1.00Å | |
| N10 | H12 | sing | 1.01Å | 1.00Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| N14 | H16 | sing | 1.01Å | 1.00Å | |
| N14 | H17 | sing | 1.01Å | 1.00Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| N19 | H25 | sing | 1.01Å | 1.00Å | |
| N19 | H26 | sing | 1.01Å | 1.00Å | |
| O22 | H28 | sing | 0.97Å | 0.95Å | |
| C06 | H3 | sing | 1.09Å | 1.10Å | |
| C07 | H29 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H30 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H31 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N10 | C09 | C08 | 116.8° | 109.5° |
| N10 | C09 | H9 | 107.6° | 109.5° |
| N10 | C09 | H10 | 107.6° | 109.5° |
| C09 | N10 | H11 | 109.5° | 111.0° |
| C09 | N10 | H12 | 109.5° | 111.0° |
| C09 | C08 | C07 | 116.9° | 109.5° |
| C09 | C08 | H7 | 107.6° | 109.5° |
| C09 | C08 | H8 | 107.6° | 109.5° |
| C08 | C09 | H9 | 107.6° | 109.5° |
| C08 | C09 | H10 | 107.6° | 109.5° |
| C08 | C07 | C06 | 117.9° | 109.4° |
| C08 | C07 | H6 | 107.3° | 109.5° |
| C07 | C08 | H7 | 107.6° | 109.5° |
| C07 | C08 | H8 | 107.6° | 109.5° |
| C08 | C07 | H29 | 107.3° | 109.5° |
| C07 | C06 | C02 | 118.1° | 109.4° |
| C07 | C06 | H5 | 107.3° | 109.5° |
| C06 | C07 | H6 | 107.3° | 109.5° |
| C07 | C06 | H3 | 107.3° | 109.5° |
| C06 | C07 | H29 | 107.3° | 109.4° |
| O04 | C03 | O05 | 118.9° | 120.0° |
| O04 | C03 | C02 | 119.5° | 120.0° |
| C06 | C02 | C03 | 109.7° | 109.4° |
| C06 | C02 | N01 | 108.8° | 109.5° |
| C06 | C02 | C11 | 109.5° | 109.5° |
| C02 | C06 | H5 | 107.3° | 109.5° |
| C02 | C06 | H3 | 107.3° | 109.4° |
| O05 | C03 | C02 | 121.5° | 120.0° |
| C03 | O05 | H4 | 109.5° | 116.9° |
| C03 | C02 | N01 | 108.8° | 109.5° |
| C03 | C02 | C11 | 111.0° | 109.5° |
| N01 | C02 | C11 | 109.0° | 109.4° |
| C02 | N01 | H1 | 109.5° | 111.0° |
| C02 | N01 | H2 | 109.5° | 110.9° |
| C02 | C11 | C12 | 119.5° | 109.5° |
| C02 | C11 | H14 | 106.9° | 109.5° |
| C02 | C11 | H13 | 106.9° | 109.4° |
| C11 | C12 | C13 | 120.5° | 109.4° |
| C12 | C11 | H14 | 106.9° | 109.5° |
| C11 | C12 | H15 | 106.7° | 109.5° |
| C12 | C11 | H13 | 106.9° | 109.4° |
| C11 | C12 | H30 | 106.7° | 109.4° |
| C12 | C13 | N14 | 109.0° | 109.5° |
| C12 | C13 | C15 | 108.3° | 109.4° |
| C12 | C13 | C20 | 111.6° | 109.5° |
| C13 | C12 | H15 | 106.6° | 109.5° |
| C13 | C12 | H30 | 106.6° | 109.5° |
| N14 | C13 | C15 | 109.8° | 109.5° |
| N14 | C13 | C20 | 108.5° | 109.5° |
| C13 | N14 | H16 | 109.5° | 111.0° |
| C13 | N14 | H17 | 109.5° | 111.0° |
| C15 | C13 | C20 | 109.5° | 109.5° |
| C13 | C15 | C16 | 117.7° | 109.4° |
| C13 | C15 | H19 | 107.4° | 109.5° |
| C13 | C15 | H20 | 107.4° | 109.5° |
| C13 | C20 | O21 | 120.6° | 120.0° |
| C13 | C20 | O22 | 119.7° | 120.0° |
| C15 | C16 | C17 | 117.7° | 109.5° |
| C16 | C15 | H19 | 107.4° | 109.4° |
| C16 | C15 | H20 | 107.4° | 109.5° |
| C15 | C16 | H21 | 107.4° | 109.5° |
| C15 | C16 | H18 | 107.4° | 109.5° |
| O21 | C20 | O22 | 119.7° | 120.0° |
| C20 | O22 | H28 | 109.5° | 117.0° |
| C16 | C17 | C18 | 116.4° | 109.5° |
| C17 | C16 | H21 | 107.4° | 109.4° |
| C16 | C17 | H22 | 107.7° | 109.4° |
| C17 | C16 | H18 | 107.4° | 109.5° |
| C16 | C17 | H31 | 107.7° | 109.5° |
| C17 | C18 | N19 | 116.4° | 109.4° |
| C18 | C17 | H22 | 107.7° | 109.5° |
| C17 | C18 | H23 | 107.7° | 109.4° |
| C17 | C18 | H24 | 107.7° | 109.5° |
| C18 | C17 | H31 | 107.7° | 109.5° |
| N19 | C18 | H23 | 107.7° | 109.5° |
| N19 | C18 | H24 | 107.7° | 109.6° |
| C18 | N19 | H25 | 109.5° | 111.0° |
| C18 | N19 | H26 | 109.5° | 111.0° |
| H1 | N01 | H2 | 109.5° | 111.0° |
| H5 | C06 | H3 | 109.4° | 109.5° |
| H6 | C07 | H29 | 109.4° | 109.5° |
| H7 | C08 | H8 | 109.5° | 109.4° |
| H9 | C09 | H10 | 109.5° | 109.4° |
| H11 | N10 | H12 | 109.5° | 111.0° |
| H14 | C11 | H13 | 109.4° | 109.5° |
| H15 | C12 | H30 | 109.4° | 109.5° |
| H16 | N14 | H17 | 109.4° | 111.0° |
| H19 | C15 | H20 | 109.5° | 109.5° |
| H21 | C16 | H18 | 109.5° | 109.5° |
| H22 | C17 | H31 | 109.5° | 109.4° |
| H23 | C18 | H24 | 109.4° | 109.5° |
| H25 | N19 | H26 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N10 | C09 | C08 | H9 | 121.1° | 120.0° |
| N10 | C09 | C08 | H10 | 121.0° | 120.0° |
| N10 | C09 | C08 | C07 | 74.1° | 180.0° |
| N10 | C09 | C08 | H7 | 46.9° | 60.0° |
| N10 | C09 | C08 | H8 | 164.8° | 60.0° |
| N10 | C09 | H9 | H10 | 116.7° | 120.0° |
| C09 | N10 | H11 | H12 | 120.0° | 124.0° |
| C09 | C08 | C07 | H7 | 121.0° | 120.0° |
| C09 | C08 | C07 | H8 | 121.1° | 120.0° |
| C09 | C08 | C07 | C06 | 147.8° | 180.0° |
| C09 | C08 | C07 | H6 | 26.6° | 60.0° |
| C09 | C08 | H7 | H8 | 116.7° | 120.0° |
| C08 | C09 | H9 | H10 | 116.7° | 120.0° |
| C08 | C09 | N10 | H11 | 180.0° | 56.0° |
| C08 | C09 | N10 | H12 | 60.0° | 180.0° |
| C09 | C08 | C07 | H29 | 91.0° | 60.0° |
| C08 | C07 | C06 | H6 | 121.2° | 120.0° |
| C08 | C07 | C06 | H29 | 121.2° | 120.0° |
| C08 | C07 | C06 | C02 | 163.6° | 180.0° |
| C08 | C07 | C06 | H5 | 42.4° | 60.0° |
| C08 | C07 | H6 | H29 | 116.2° | 120.0° |
| C07 | C08 | H7 | H8 | 116.6° | 120.0° |
| C07 | C08 | C09 | H9 | 164.8° | 60.0° |
| C07 | C08 | C09 | H10 | 46.9° | 60.0° |
| C08 | C07 | C06 | H3 | 75.1° | 60.1° |
| C07 | C06 | C02 | H5 | 121.2° | 120.0° |
| C07 | C06 | C02 | H3 | 121.3° | 120.0° |
| C07 | C06 | C02 | C03 | 32.4° | 60.0° |
| C07 | C06 | C02 | N01 | 86.5° | 60.0° |
| C07 | C06 | C02 | C11 | 154.5° | 180.0° |
| C07 | C06 | H5 | H3 | 116.1° | 120.0° |
| C06 | C07 | H6 | H29 | 116.1° | 120.0° |
| C06 | C07 | C08 | H7 | 91.2° | 60.0° |
| C06 | C07 | C08 | H8 | 26.7° | 60.0° |
| O04 | C03 | C02 | C06 | 120.6° | 95.1° |
| O04 | C03 | O05 | C02 | 179.5° | 179.9° |
| O04 | C03 | C02 | N01 | 1.7° | 144.9° |
| O04 | C03 | C02 | C11 | 118.3° | 24.9° |
| O04 | C03 | O05 | H4 | 0.0° | 0.1° |
| C06 | C02 | C03 | O05 | 58.9° | 85.1° |
| C06 | C02 | C03 | N01 | 118.9° | 120.0° |
| C06 | C02 | C03 | C11 | 121.1° | 120.0° |
| C06 | C02 | N01 | C11 | 119.3° | 120.0° |
| C06 | C02 | C11 | C12 | 59.2° | 175.0° |
| C06 | C02 | N01 | H1 | 180.0° | 63.9° |
| C06 | C02 | N01 | H2 | 60.0° | 60.0° |
| C02 | C06 | H5 | H3 | 116.1° | 120.0° |
| C02 | C06 | C07 | H6 | 75.1° | 60.0° |
| C06 | C02 | C11 | H14 | 179.4° | 55.0° |
| C02 | C06 | C07 | H29 | 42.4° | 60.0° |
| C06 | C02 | C11 | H13 | 62.2° | 65.0° |
| O05 | C03 | C02 | N01 | 177.9° | 35.0° |
| O05 | C03 | C02 | C11 | 62.2° | 155.0° |
| C03 | C02 | N01 | C11 | 121.2° | 120.0° |
| C03 | C02 | C11 | C12 | 62.1° | 65.0° |
| C03 | C02 | N01 | H1 | 60.5° | 56.1° |
| C03 | C02 | N01 | H2 | 59.5° | 180.0° |
| C02 | C03 | O05 | H4 | 179.6° | 179.9° |
| C03 | C02 | C06 | H5 | 153.7° | 60.0° |
| C03 | C02 | C11 | H14 | 59.3° | 175.0° |
| C03 | C02 | C06 | H3 | 88.9° | 180.0° |
| C03 | C02 | C11 | H13 | 176.5° | 54.9° |
| N01 | C02 | C11 | C12 | 178.0° | 55.0° |
| C02 | N01 | H1 | H2 | 120.0° | 123.9° |
| N01 | C02 | C06 | H5 | 34.7° | 180.0° |
| N01 | C02 | C11 | H14 | 60.5° | 65.0° |
| N01 | C02 | C06 | H3 | 152.2° | 60.0° |
| N01 | C02 | C11 | H13 | 56.6° | 174.9° |
| C02 | C11 | C12 | H14 | 121.4° | 120.0° |
| C02 | C11 | C12 | H13 | 121.4° | 119.9° |
| C02 | C11 | C12 | C13 | 179.9° | 180.0° |
| C11 | C02 | N01 | H1 | 60.7° | 176.1° |
| C11 | C02 | N01 | H2 | 179.3° | 60.0° |
| C11 | C02 | C06 | H5 | 84.3° | 60.0° |
| C02 | C11 | H14 | H13 | 115.5° | 120.0° |
| C02 | C11 | C12 | H15 | 58.5° | 60.0° |
| C11 | C02 | C06 | H3 | 33.2° | 60.0° |
| C02 | C11 | C12 | H30 | 58.4° | 60.0° |
| C11 | C12 | C13 | H15 | 121.6° | 120.0° |
| C11 | C12 | C13 | H30 | 121.6° | 120.0° |
| C11 | C12 | C13 | N14 | 160.5° | 55.0° |
| C11 | C12 | C13 | C15 | 80.0° | 175.0° |
| C11 | C12 | C13 | C20 | 40.6° | 65.0° |
| C12 | C11 | H14 | H13 | 115.4° | 120.0° |
| C11 | C12 | H15 | H30 | 115.1° | 120.0° |
| C12 | C13 | N14 | C15 | 118.5° | 119.9° |
| C12 | C13 | N14 | C20 | 121.8° | 120.0° |
| C12 | C13 | C15 | C20 | 122.0° | 120.0° |
| C12 | C13 | C15 | C16 | 167.6° | 180.0° |
| C12 | C13 | C20 | O21 | 74.7° | 25.0° |
| C12 | C13 | C20 | O22 | 105.8° | 155.0° |
| C13 | C12 | C11 | H14 | 58.5° | 60.0° |
| C13 | C12 | H15 | H30 | 115.0° | 120.0° |
| C12 | C13 | N14 | H16 | 180.0° | 60.0° |
| C12 | C13 | N14 | H17 | 60.0° | 64.0° |
| C12 | C13 | C15 | H19 | 46.4° | 60.1° |
| C12 | C13 | C15 | H20 | 71.2° | 60.0° |
| C13 | C12 | C11 | H13 | 58.6° | 60.0° |
| N14 | C13 | C15 | C20 | 119.1° | 120.1° |
| N14 | C13 | C15 | C16 | 73.5° | 60.1° |
| N14 | C13 | C20 | O21 | 165.2° | 145.0° |
| N14 | C13 | C20 | O22 | 14.4° | 35.1° |
| N14 | C13 | C12 | H15 | 77.9° | 175.0° |
| C13 | N14 | H16 | H17 | 120.0° | 124.0° |
| N14 | C13 | C15 | H19 | 165.4° | 180.0° |
| N14 | C13 | C15 | H20 | 47.7° | 59.9° |
| N14 | C13 | C12 | H30 | 38.9° | 65.0° |
| C13 | C15 | C16 | H19 | 121.2° | 120.0° |
| C13 | C15 | C16 | H20 | 121.2° | 120.0° |
| C15 | C13 | C20 | O21 | 45.3° | 95.0° |
| C15 | C13 | C20 | O22 | 134.2° | 85.0° |
| C13 | C15 | C16 | C17 | 151.0° | 180.0° |
| C15 | C13 | C12 | H15 | 41.5° | 65.0° |
| C15 | C13 | N14 | H16 | 61.4° | 59.9° |
| C15 | C13 | N14 | H17 | 58.5° | 176.1° |
| C13 | C15 | H19 | H20 | 116.2° | 120.0° |
| C13 | C15 | C16 | H21 | 87.9° | 60.1° |
| C15 | C13 | C12 | H30 | 158.4° | 55.0° |
| C13 | C15 | C16 | H18 | 29.8° | 60.0° |
| C20 | C13 | C15 | C16 | 45.6° | 60.0° |
| C13 | C20 | O21 | O22 | 179.5° | 180.0° |
| C20 | C13 | C12 | H15 | 162.2° | 55.0° |
| C20 | C13 | N14 | H16 | 58.2° | 180.0° |
| C20 | C13 | N14 | H17 | 178.2° | 56.0° |
| C20 | C13 | C15 | H19 | 75.6° | 59.9° |
| C20 | C13 | C15 | H20 | 166.8° | 180.0° |
| C13 | C20 | O22 | H28 | 179.5° | 180.0° |
| C20 | C13 | C12 | H30 | 81.0° | 175.0° |
| C15 | C16 | C17 | H21 | 121.2° | 120.0° |
| C15 | C16 | C17 | H18 | 121.2° | 120.1° |
| C15 | C16 | C17 | C18 | 177.4° | 180.0° |
| C16 | C15 | H19 | H20 | 116.3° | 120.0° |
| C15 | C16 | H21 | H18 | 116.3° | 120.1° |
| C15 | C16 | C17 | H22 | 61.6° | 60.0° |
| C15 | C16 | C17 | H31 | 56.4° | 59.9° |
| O21 | C20 | O22 | H28 | 0.0° | 0.1° |
| C16 | C17 | C18 | H22 | 121.0° | 120.0° |
| C16 | C17 | C18 | H31 | 121.0° | 120.0° |
| C16 | C17 | C18 | N19 | 60.2° | 180.0° |
| C17 | C16 | C15 | H19 | 29.8° | 60.0° |
| C17 | C16 | C15 | H20 | 87.9° | 60.0° |
| C17 | C16 | H21 | H18 | 116.3° | 120.0° |
| C16 | C17 | H22 | H31 | 116.9° | 120.0° |
| C16 | C17 | C18 | H23 | 178.8° | 60.0° |
| C16 | C17 | C18 | H24 | 60.8° | 59.9° |
| C17 | C18 | N19 | H23 | 121.0° | 119.9° |
| C17 | C18 | N19 | H24 | 121.0° | 120.0° |
| C18 | C17 | C16 | H21 | 56.2° | 60.0° |
| C18 | C17 | H22 | H31 | 116.8° | 120.0° |
| C17 | C18 | H23 | H24 | 116.9° | 120.0° |
| C17 | C18 | N19 | H25 | 180.0° | 180.0° |
| C17 | C18 | N19 | H26 | 60.0° | 56.1° |
| C18 | C17 | C16 | H18 | 61.4° | 59.9° |
| N19 | C18 | C17 | H22 | 60.8° | 60.0° |
| N19 | C18 | H23 | H24 | 116.9° | 120.1° |
| C18 | N19 | H25 | H26 | 120.0° | 123.9° |
| N19 | C18 | C17 | H31 | 178.8° | 60.0° |
| H5 | C06 | C07 | H6 | 163.6° | NaN° |
| H5 | C06 | C07 | H29 | 78.8° | 60.0° |
| H6 | C07 | C08 | H7 | 147.6° | 180.0° |
| H6 | C07 | C08 | H8 | 94.5° | 60.0° |
| H6 | C07 | C06 | H3 | 46.1° | 59.9° |
| H7 | C08 | C09 | H9 | 74.1° | NaN° |
| H7 | C08 | C09 | H10 | 168.0° | 60.0° |
| H7 | C08 | C07 | H29 | 30.1° | 60.0° |
| H8 | C08 | C09 | H9 | 43.7° | 60.0° |
| H8 | C08 | C09 | H10 | 74.2° | 180.0° |
| H8 | C08 | C07 | H29 | 147.9° | 179.9° |
| H9 | C09 | N10 | H11 | 58.9° | 64.0° |
| H9 | C09 | N10 | H12 | 61.1° | 60.0° |
| H10 | C09 | N10 | H11 | 59.0° | 176.1° |
| H10 | C09 | N10 | H12 | 179.0° | 59.9° |
| H14 | C11 | C12 | H15 | 179.9° | NaN° |
| H14 | C11 | C12 | H30 | 63.0° | 60.0° |
| H15 | C12 | C11 | H13 | 62.9° | 60.0° |
| H19 | C15 | C16 | H21 | 150.9° | 180.0° |
| H19 | C15 | C16 | H18 | 91.4° | 60.0° |
| H20 | C15 | C16 | H21 | 33.3° | 59.9° |
| H20 | C15 | C16 | H18 | 150.9° | 180.0° |
| H21 | C16 | C17 | H22 | 177.2° | 180.0° |
| H21 | C16 | C17 | H31 | 64.7° | 60.0° |
| H22 | C17 | C18 | H23 | 60.2° | 180.0° |
| H22 | C17 | C18 | H24 | 178.2° | 60.0° |
| H22 | C17 | C16 | H18 | 59.6° | 60.1° |
| H23 | C18 | N19 | H25 | 59.0° | 60.0° |
| H23 | C18 | N19 | H26 | 179.0° | 176.1° |
| H23 | C18 | C17 | H31 | 57.8° | 60.0° |
| H24 | C18 | N19 | H25 | 59.0° | 60.0° |
| H24 | C18 | N19 | H26 | 61.1° | 63.9° |
| H24 | C18 | C17 | H31 | 60.2° | 180.0° |
| H3 | C06 | C07 | H29 | 163.7° | 180.0° |
| H13 | C11 | C12 | H30 | 179.8° | 180.0° |
| H18 | C16 | C17 | H31 | 177.6° | 180.0° |
