0IZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O5 | B | sing | 1.37Å | 1.47Å | |
| O4 | B | sing | 1.37Å | 1.49Å | |
| B | O3 | sing | 1.37Å | 1.48Å | |
| B | C12 | sing | 1.60Å | 1.57Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| O1 | C8 | doub | 1.21Å | 1.22Å | |
| C8 | O2 | sing | 1.34Å | 1.31Å | |
| C8 | C7 | sing | 1.51Å | 1.56Å | |
| N2 | C6 | sing | 1.49Å | 1.51Å | |
| N2 | C7 | sing | 1.48Å | 1.50Å | |
| C9 | C7 | sing | 1.54Å | 1.55Å | |
| C9 | C5 | sing | 1.55Å | 1.54Å | |
| C6 | C5 | sing | 1.55Å | 1.53Å | |
| C5 | N1 | sing | 1.46Å | 1.46Å | |
| O | C4 | doub | 1.21Å | 1.23Å | |
| N1 | C4 | sing | 1.35Å | 1.34Å | |
| C4 | C3 | sing | 1.51Å | 1.61Å | |
| C3 | N | sing | 1.47Å | 1.47Å | |
| C3 | C1 | sing | 1.53Å | 1.58Å | |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| O2 | H8 | sing | 0.97Å | 0.95Å | |
| N2 | H9 | sing | 1.01Å | 1.00Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| O4 | H17 | sing | 0.97Å | 0.95Å | |
| O3 | H18 | sing | 0.97Å | 0.95Å | |
| C3 | H19 | sing | 1.09Å | 1.10Å | |
| N | H20 | sing | 1.01Å | 1.00Å | |
| N | H21 | sing | 1.01Å | 1.00Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| C2 | H25 | sing | 1.09Å | 1.10Å | |
| C2 | H26 | sing | 1.09Å | 1.10Å | |
| C | H27 | sing | 1.09Å | 1.10Å | |
| C | H28 | sing | 1.09Å | 1.10Å | |
| C | H29 | sing | 1.09Å | 1.10Å | |
| O5 | H10 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O5 | B | O4 | 104.1° | 109.5° |
| O5 | B | O3 | 105.8° | 109.5° |
| O5 | B | C12 | 109.3° | 109.5° |
| B | O5 | H10 | 109.5° | 114.0° |
| O4 | B | O3 | 107.0° | 109.5° |
| O4 | B | C12 | 115.0° | 109.5° |
| B | O4 | H17 | 109.5° | 114.0° |
| O3 | B | C12 | 114.8° | 109.4° |
| B | O3 | H18 | 109.5° | 114.0° |
| B | C12 | C11 | 112.9° | 109.5° |
| B | C12 | H14 | 108.6° | 109.5° |
| B | C12 | H15 | 108.6° | 109.4° |
| C12 | C11 | C10 | 112.8° | 109.5° |
| C12 | C11 | H12 | 108.6° | 109.4° |
| C12 | C11 | H13 | 108.6° | 109.4° |
| C11 | C12 | H14 | 108.6° | 109.5° |
| C11 | C12 | H15 | 108.6° | 109.5° |
| C11 | C10 | C9 | 117.8° | 109.5° |
| C11 | C10 | H6 | 107.4° | 109.5° |
| C11 | C10 | H7 | 107.4° | 109.5° |
| C10 | C11 | H12 | 108.6° | 109.5° |
| C10 | C11 | H13 | 108.6° | 109.5° |
| C10 | C9 | C7 | 114.7° | 110.3° |
| C10 | C9 | C5 | 114.8° | 110.5° |
| C9 | C10 | H6 | 107.3° | 109.5° |
| C9 | C10 | H7 | 107.3° | 109.4° |
| C10 | C9 | H11 | 109.3° | 110.3° |
| O1 | C8 | O2 | 123.9° | 120.0° |
| O1 | C8 | C7 | 124.2° | 120.0° |
| O2 | C8 | C7 | 111.7° | 120.0° |
| C8 | O2 | H8 | 109.5° | 117.0° |
| C8 | C7 | N2 | 110.5° | 109.9° |
| C8 | C7 | C9 | 117.0° | 110.0° |
| C8 | C7 | H5 | 109.3° | 109.9° |
| C6 | N2 | C7 | 108.3° | 105.8° |
| N2 | C6 | C5 | 103.7° | 103.2° |
| N2 | C6 | H3 | 110.9° | 110.7° |
| N2 | C6 | H4 | 110.9° | 110.8° |
| C6 | N2 | H9 | 109.8° | 111.0° |
| N2 | C7 | C9 | 100.2° | 107.1° |
| N2 | C7 | H5 | 110.1° | 109.9° |
| C7 | N2 | H9 | 109.8° | 111.0° |
| C7 | C9 | C5 | 99.3° | 105.0° |
| C9 | C7 | H5 | 109.4° | 110.0° |
| C7 | C9 | H11 | 109.1° | 110.3° |
| C9 | C5 | C6 | 105.4° | 103.1° |
| C9 | C5 | N1 | 112.4° | 110.7° |
| C9 | C5 | H2 | 108.4° | 110.7° |
| C5 | C9 | H11 | 109.2° | 110.3° |
| C6 | C5 | N1 | 112.2° | 110.7° |
| C6 | C5 | H2 | 108.7° | 110.7° |
| C5 | C6 | H3 | 110.9° | 110.7° |
| C5 | C6 | H4 | 110.9° | 110.7° |
| C5 | N1 | C4 | 123.4° | 120.0° |
| C5 | N1 | H1 | 118.3° | 120.0° |
| N1 | C5 | H2 | 109.5° | 110.6° |
| O | C4 | N1 | 123.4° | 120.0° |
| O | C4 | C3 | 119.9° | 120.0° |
| N1 | C4 | C3 | 116.6° | 120.0° |
| C4 | N1 | H1 | 118.3° | 120.0° |
| C4 | C3 | N | 112.5° | 109.5° |
| C4 | C3 | C1 | 112.9° | 109.5° |
| C4 | C3 | H19 | 105.8° | 109.5° |
| N | C3 | C1 | 111.7° | 109.5° |
| N | C3 | H19 | 107.3° | 109.5° |
| C3 | N | H20 | 109.5° | 111.0° |
| C3 | N | H21 | 109.5° | 111.0° |
| C3 | C1 | C | 110.9° | 109.5° |
| C3 | C1 | C2 | 111.3° | 109.5° |
| C1 | C3 | H19 | 106.1° | 109.5° |
| C3 | C1 | H23 | 107.9° | 109.5° |
| C | C1 | C2 | 109.7° | 109.5° |
| C | C1 | H23 | 108.5° | 109.5° |
| C1 | C | H27 | 109.5° | 109.5° |
| C1 | C | H28 | 109.5° | 109.5° |
| C1 | C | H29 | 109.4° | 109.5° |
| C2 | C1 | H23 | 108.5° | 109.5° |
| C1 | C2 | H24 | 109.5° | 109.5° |
| C1 | C2 | H25 | 109.5° | 109.4° |
| C1 | C2 | H26 | 109.5° | 109.5° |
| H3 | C6 | H4 | 109.5° | 110.6° |
| H6 | C10 | H7 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H14 | C12 | H15 | 109.5° | 109.4° |
| H20 | N | H21 | 109.5° | 111.0° |
| H24 | C2 | H25 | 109.5° | 109.5° |
| H24 | C2 | H26 | 109.5° | 109.5° |
| H25 | C2 | H26 | 109.5° | 109.4° |
| H27 | C | H28 | 109.5° | 109.5° |
| H27 | C | H29 | 109.5° | 109.4° |
| H28 | C | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O5 | B | O4 | O3 | 111.7° | 120.0° |
| O5 | B | O4 | C12 | 119.5° | 120.1° |
| O5 | B | O3 | C12 | 120.6° | 120.0° |
| O5 | B | C12 | C11 | 177.6° | 180.0° |
| O5 | B | C12 | H14 | 57.1° | 59.9° |
| O5 | B | C12 | H15 | 62.0° | 60.0° |
| O5 | B | O4 | H17 | 180.0° | 60.0° |
| O5 | B | O3 | H18 | 180.0° | 59.9° |
| O4 | B | O3 | C12 | 128.9° | 120.0° |
| O4 | B | C12 | C11 | 65.9° | 60.0° |
| O4 | B | C12 | H14 | 173.6° | 180.0° |
| O4 | B | C12 | H15 | 54.6° | 60.0° |
| O4 | B | O3 | H18 | 69.5° | 180.0° |
| O4 | B | O5 | H10 | 180.0° | 60.0° |
| O3 | B | C12 | C11 | 58.9° | 60.0° |
| O3 | B | C12 | H14 | 61.6° | 60.0° |
| O3 | B | C12 | H15 | 179.4° | 180.0° |
| O3 | B | O4 | H17 | 68.3° | 180.0° |
| O3 | B | O5 | H10 | 67.4° | 60.0° |
| B | C12 | C11 | H14 | 120.5° | 120.1° |
| B | C12 | C11 | H15 | 120.5° | 120.0° |
| B | C12 | C11 | C10 | 157.3° | 180.0° |
| B | C12 | C11 | H12 | 36.7° | 59.9° |
| B | C12 | C11 | H13 | 82.3° | 60.0° |
| B | C12 | H14 | H15 | 118.5° | 120.0° |
| C12 | B | O4 | H17 | 60.5° | 60.0° |
| C12 | B | O3 | H18 | 59.4° | 60.1° |
| C12 | B | O5 | H10 | 56.7° | 180.0° |
| C12 | C11 | C10 | H12 | 120.5° | 120.0° |
| C12 | C11 | C10 | H13 | 120.5° | 120.0° |
| C12 | C11 | C10 | C9 | 166.4° | 174.4° |
| C12 | C11 | C10 | H6 | 45.2° | 65.5° |
| C12 | C11 | C10 | H7 | 72.4° | 54.5° |
| C12 | C11 | H12 | H13 | 118.5° | 119.9° |
| C11 | C12 | H14 | H15 | 118.4° | 120.0° |
| C11 | C10 | C9 | H6 | 121.2° | 120.0° |
| C11 | C10 | C9 | H7 | 121.2° | 120.0° |
| C11 | C10 | C9 | C7 | 175.0° | 175.2° |
| C11 | C10 | C9 | C5 | 71.0° | 69.1° |
| C11 | C10 | H6 | H7 | 116.2° | 120.1° |
| C11 | C10 | C9 | H11 | 52.1° | 53.1° |
| C10 | C11 | H12 | H13 | 118.4° | 120.1° |
| C10 | C11 | C12 | H14 | 82.2° | 60.0° |
| C10 | C11 | C12 | H15 | 36.8° | 60.0° |
| C10 | C9 | C7 | C8 | 43.2° | 1.7° |
| C10 | C9 | C7 | N2 | 76.2° | 117.7° |
| C10 | C9 | C7 | C5 | 122.9° | 119.1° |
| C10 | C9 | C7 | H11 | 123.0° | 122.1° |
| C10 | C9 | C5 | H11 | 123.1° | 122.2° |
| C10 | C9 | C5 | C6 | 82.0° | 140.7° |
| C10 | C9 | C5 | N1 | 155.5° | 100.9° |
| C10 | C9 | C5 | H2 | 34.3° | 22.3° |
| C10 | C9 | C7 | H5 | 168.2° | 122.9° |
| C9 | C10 | H6 | H7 | 116.2° | 119.9° |
| C9 | C10 | C11 | H12 | 73.1° | 54.4° |
| C9 | C10 | C11 | H13 | 45.9° | 65.6° |
| O1 | C8 | O2 | C7 | 175.9° | 180.0° |
| O1 | C8 | C7 | N2 | 7.9° | 25.5° |
| O1 | C8 | C7 | C9 | 121.6° | 92.2° |
| O1 | C8 | C7 | H5 | 113.3° | 146.6° |
| O1 | C8 | O2 | H8 | 0.0° | 0.0° |
| O2 | C8 | C7 | N2 | 176.2° | 154.5° |
| O2 | C8 | C7 | C9 | 62.5° | 87.8° |
| O2 | C8 | C7 | H5 | 62.5° | 33.4° |
| C8 | C7 | N2 | C6 | 161.6° | 144.9° |
| C8 | C7 | N2 | C9 | 124.1° | 119.4° |
| C8 | C7 | N2 | H5 | 120.8° | 121.1° |
| C8 | C7 | C9 | H5 | 124.9° | 121.2° |
| C8 | C7 | C9 | C5 | 166.1° | 120.8° |
| C7 | C8 | O2 | H8 | 175.9° | 180.0° |
| C8 | C7 | N2 | H9 | 41.7° | 24.4° |
| C8 | C7 | C9 | H11 | 79.8° | 120.4° |
| C6 | N2 | C7 | H9 | 119.8° | 120.5° |
| C6 | N2 | C7 | C9 | 37.5° | 25.5° |
| N2 | C6 | C5 | C9 | 18.6° | 37.3° |
| N2 | C6 | C5 | H3 | 119.1° | 118.5° |
| N2 | C6 | C5 | H4 | 119.1° | 118.6° |
| N2 | C6 | C5 | N1 | 104.1° | 155.8° |
| N2 | C6 | C5 | H2 | 134.7° | 81.1° |
| N2 | C6 | H3 | H4 | 122.7° | 123.2° |
| C6 | N2 | C7 | H5 | 77.7° | 94.0° |
| N2 | C7 | C9 | H5 | 115.7° | 119.4° |
| N2 | C7 | C9 | C5 | 46.7° | 1.4° |
| C7 | N2 | C6 | C5 | 12.1° | 39.2° |
| C7 | N2 | C6 | H3 | 106.9° | 157.6° |
| C7 | N2 | C6 | H4 | 131.2° | 79.3° |
| N2 | C7 | C9 | H11 | 160.9° | 120.2° |
| C7 | C9 | C5 | H11 | 114.1° | 118.8° |
| C7 | C9 | C5 | C6 | 40.8° | 21.8° |
| C7 | C9 | C5 | N1 | 81.7° | 140.2° |
| C7 | C9 | C5 | H2 | 157.1° | 96.7° |
| C7 | C9 | C10 | H6 | 53.7° | 64.7° |
| C7 | C9 | C10 | H7 | 63.8° | 55.2° |
| C9 | C7 | N2 | H9 | 82.3° | 95.0° |
| C9 | C5 | C6 | N1 | 122.7° | 118.4° |
| C9 | C5 | C6 | H2 | 116.1° | 118.4° |
| C9 | C5 | N1 | H2 | 120.6° | 123.2° |
| C9 | C5 | N1 | C4 | 83.0° | 157.4° |
| C9 | C5 | N1 | H1 | 97.0° | 22.8° |
| C9 | C5 | C6 | H3 | 137.7° | 155.8° |
| C9 | C5 | C6 | H4 | 100.5° | 81.3° |
| C5 | C9 | C7 | H5 | 69.0° | 118.0° |
| C5 | C9 | C10 | H6 | 167.8° | 50.9° |
| C5 | C9 | C10 | H7 | 50.2° | 170.9° |
| C6 | C5 | N1 | H2 | 120.8° | 123.2° |
| C6 | C5 | N1 | C4 | 158.4° | 88.9° |
| C6 | C5 | N1 | H1 | 21.6° | 90.9° |
| C5 | C6 | H3 | H4 | 122.7° | 123.0° |
| C5 | C6 | N2 | H9 | 107.7° | 81.3° |
| C6 | C5 | C9 | H11 | 154.9° | 97.1° |
| C5 | N1 | C4 | O | 27.9° | 0.2° |
| C5 | N1 | C4 | H1 | 180.0° | 179.8° |
| C5 | N1 | C4 | C3 | 148.2° | 179.8° |
| N1 | C5 | C6 | H3 | 15.0° | 85.8° |
| N1 | C5 | C6 | H4 | 136.9° | 37.2° |
| N1 | C5 | C9 | H11 | 32.4° | 21.4° |
| O | C4 | N1 | C3 | 176.1° | 180.0° |
| O | C4 | C3 | N | 135.6° | 20.0° |
| O | C4 | C3 | C1 | 96.8° | 100.0° |
| O | C4 | N1 | H1 | 152.0° | 180.0° |
| O | C4 | C3 | H19 | 18.7° | 140.0° |
| N1 | C4 | C3 | N | 40.6° | 160.0° |
| N1 | C4 | C3 | C1 | 86.9° | 80.0° |
| C4 | N1 | C5 | H2 | 37.6° | 34.3° |
| N1 | C4 | C3 | H19 | 157.5° | 40.0° |
| C4 | C3 | N | C1 | 128.2° | 120.0° |
| C4 | C3 | N | H19 | 115.9° | 120.0° |
| C4 | C3 | C1 | H19 | 115.4° | 120.0° |
| C4 | C3 | C1 | C | 62.6° | 180.0° |
| C4 | C3 | C1 | C2 | 175.0° | 60.0° |
| C3 | C4 | N1 | H1 | 31.9° | 0.0° |
| C4 | C3 | N | H20 | 180.0° | 63.9° |
| C4 | C3 | N | H21 | 60.0° | 60.0° |
| C4 | C3 | C1 | H23 | 56.1° | 60.0° |
| N | C3 | C1 | H19 | 116.7° | 120.0° |
| N | C3 | C1 | C | 169.5° | 60.0° |
| N | C3 | C1 | C2 | 47.1° | 180.0° |
| C3 | N | H20 | H21 | 120.0° | 123.9° |
| N | C3 | C1 | H23 | 71.8° | 60.0° |
| C3 | C1 | C | C2 | 123.3° | 120.0° |
| C3 | C1 | C | H23 | 118.3° | 120.0° |
| C3 | C1 | C2 | H23 | 118.6° | 120.0° |
| C1 | C3 | N | H20 | 51.8° | 176.1° |
| C1 | C3 | N | H21 | 171.8° | 60.0° |
| C3 | C1 | C2 | H24 | 180.0° | 180.0° |
| C3 | C1 | C2 | H25 | 60.0° | 60.0° |
| C3 | C1 | C2 | H26 | 60.0° | 60.0° |
| C3 | C1 | C | H27 | 180.0° | 59.9° |
| C3 | C1 | C | H28 | 60.0° | 180.0° |
| C3 | C1 | C | H29 | 60.0° | 60.0° |
| C | C1 | C2 | H23 | 118.4° | 120.0° |
| C | C1 | C3 | H19 | 52.8° | 60.0° |
| C | C1 | C2 | H24 | 56.9° | 60.0° |
| C | C1 | C2 | H25 | 63.1° | 180.0° |
| C | C1 | C2 | H26 | 176.9° | 60.0° |
| C1 | C | H27 | H28 | 120.0° | 120.0° |
| C1 | C | H27 | H29 | 120.0° | 120.0° |
| C1 | C | H28 | H29 | 120.0° | 120.0° |
| C2 | C1 | C3 | H19 | 69.6° | 60.0° |
| C1 | C2 | H24 | H25 | 120.0° | 120.0° |
| C1 | C2 | H24 | H26 | 120.0° | 120.0° |
| C1 | C2 | H25 | H26 | 120.0° | 120.0° |
| C2 | C1 | C | H27 | 56.7° | 180.0° |
| C2 | C1 | C | H28 | 176.7° | 60.0° |
| C2 | C1 | C | H29 | 63.3° | 60.0° |
| H1 | N1 | C5 | H2 | 142.4° | 146.0° |
| H2 | C5 | C6 | H3 | 106.2° | 37.3° |
| H2 | C5 | C6 | H4 | 15.6° | 160.3° |
| H2 | C5 | C9 | H11 | 88.8° | 144.5° |
| H3 | C6 | N2 | H9 | 133.3° | 37.2° |
| H4 | C6 | N2 | H9 | 11.4° | 160.2° |
| H5 | C7 | N2 | H9 | 162.5° | 145.5° |
| H5 | C7 | C9 | H11 | 45.2° | 0.8° |
| H6 | C10 | C9 | H11 | 69.1° | 173.2° |
| H6 | C10 | C11 | H12 | 165.7° | 174.5° |
| H6 | C10 | C11 | H13 | 75.3° | 54.4° |
| H7 | C10 | C9 | H11 | 173.3° | 66.9° |
| H7 | C10 | C11 | H12 | 48.1° | 65.5° |
| H7 | C10 | C11 | H13 | 167.1° | 174.4° |
| H12 | C11 | C12 | H14 | 157.3° | 180.0° |
| H12 | C11 | C12 | H15 | 83.7° | 60.0° |
| H13 | C11 | C12 | H14 | 38.3° | 60.0° |
| H13 | C11 | C12 | H15 | 157.2° | 180.0° |
| H19 | C3 | N | H20 | 64.1° | 56.1° |
| H19 | C3 | N | H21 | 55.9° | 180.0° |
| H19 | C3 | C1 | H23 | 171.5° | 180.0° |
| H23 | C1 | C2 | H24 | 61.4° | 60.0° |
| H23 | C1 | C2 | H25 | 178.6° | 60.0° |
| H23 | C1 | C2 | H26 | 58.6° | 180.0° |
| H23 | C1 | C | H27 | 61.7° | 60.0° |
| H23 | C1 | C | H28 | 58.4° | 60.0° |
| H23 | C1 | C | H29 | 178.3° | 180.0° |
| H24 | C2 | H25 | H26 | 120.0° | 120.0° |
| H27 | C | H28 | H29 | 120.0° | 120.0° |
