BN7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C | sing | 1.48Å | 1.45Å | |
| N1 | C13 | sing | 1.34Å | 1.33Å | |
| C1 | C | sing | 1.55Å | 1.53Å | |
| C1 | S | sing | 1.84Å | 1.76Å | |
| O2 | C13 | doub | 1.22Å | 1.23Å | |
| C | C12 | sing | 1.53Å | 1.55Å | |
| C13 | N | sing | 1.34Å | 1.33Å | |
| S | C2 | sing | 1.84Å | 1.77Å | |
| N | C12 | sing | 1.47Å | 1.46Å | |
| C12 | C2 | sing | 1.54Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C4 | C5 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | C7 | sing | 1.51Å | 1.52Å | |
| C7 | O1 | sing | 1.34Å | 1.45Å | |
| C7 | O | doub | 1.21Å | 1.22Å | |
| O1 | C8 | sing | 1.45Å | 1.44Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C9 | C11 | sing | 1.53Å | 1.53Å | |
| C8 | H1 | sing | 1.09Å | 1.10Å | |
| C8 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C10 | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C11 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C6 | H10 | sing | 1.09Å | 1.10Å | |
| C6 | H11 | sing | 1.09Å | 1.10Å | |
| C5 | H12 | sing | 1.09Å | 1.10Å | |
| C5 | H13 | sing | 1.09Å | 1.10Å | |
| C4 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.09Å | 1.10Å | |
| C3 | H16 | sing | 1.09Å | 1.10Å | |
| C3 | H17 | sing | 1.09Å | 1.10Å | |
| C2 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| N | H20 | sing | 0.97Å | 1.00Å | |
| C1 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C | H23 | sing | 1.09Å | 1.10Å | |
| N1 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N1 | C13 | 112.1° | 109.1° |
| N1 | C | C1 | 107.4° | 108.9° |
| N1 | C | C12 | 102.7° | 103.7° |
| N1 | C | H23 | 112.8° | 110.8° |
| C | N1 | H24 | 123.9° | 125.5° |
| N1 | C13 | O2 | 124.1° | 123.1° |
| N1 | C13 | N | 110.5° | 113.9° |
| C13 | N1 | H24 | 124.0° | 125.4° |
| C | C1 | S | 105.6° | 102.8° |
| C1 | C | C12 | 110.5° | 112.3° |
| C | C1 | H21 | 110.4° | 110.8° |
| C | C1 | H22 | 110.5° | 110.8° |
| C1 | C | H23 | 111.6° | 110.2° |
| C1 | S | C2 | 94.8° | 94.8° |
| S | C1 | H21 | 110.5° | 111.2° |
| S | C1 | H22 | 110.4° | 110.1° |
| O2 | C13 | N | 125.4° | 123.0° |
| C | C12 | N | 102.5° | 104.3° |
| C | C12 | C2 | 109.0° | 112.4° |
| C | C12 | H19 | 110.5° | 110.2° |
| C12 | C | H23 | 111.4° | 110.8° |
| C13 | N | C12 | 111.9° | 109.0° |
| C13 | N | H20 | 124.1° | 125.5° |
| S | C2 | C12 | 104.0° | 102.9° |
| S | C2 | C3 | 112.6° | 110.7° |
| S | C2 | H18 | 106.2° | 110.8° |
| N | C12 | C2 | 111.8° | 109.2° |
| N | C12 | H19 | 111.9° | 110.2° |
| C12 | N | H20 | 124.0° | 125.5° |
| C12 | C2 | C3 | 115.8° | 110.7° |
| C12 | C2 | H18 | 108.9° | 110.8° |
| C2 | C12 | H19 | 110.8° | 110.3° |
| C2 | C3 | C4 | 110.0° | 109.5° |
| C2 | C3 | H16 | 109.3° | 109.5° |
| C2 | C3 | H17 | 109.4° | 109.5° |
| C3 | C2 | H18 | 108.8° | 110.6° |
| C3 | C4 | C5 | 112.2° | 109.4° |
| C3 | C4 | H14 | 108.8° | 109.5° |
| C3 | C4 | H15 | 108.8° | 109.5° |
| C4 | C3 | H16 | 109.3° | 109.5° |
| C4 | C3 | H17 | 109.3° | 109.5° |
| C4 | C5 | C6 | 112.4° | 109.5° |
| C4 | C5 | H12 | 108.7° | 109.5° |
| C4 | C5 | H13 | 108.7° | 109.5° |
| C5 | C4 | H14 | 108.8° | 109.5° |
| C5 | C4 | H15 | 108.8° | 109.5° |
| C5 | C6 | C7 | 110.1° | 109.5° |
| C5 | C6 | H10 | 109.3° | 109.5° |
| C5 | C6 | H11 | 109.3° | 109.5° |
| C6 | C5 | H12 | 108.7° | 109.4° |
| C6 | C5 | H13 | 108.7° | 109.4° |
| C6 | C7 | O1 | 122.2° | 120.0° |
| C6 | C7 | O | 120.2° | 120.0° |
| C7 | C6 | H10 | 109.3° | 109.5° |
| C7 | C6 | H11 | 109.3° | 109.5° |
| O1 | C7 | O | 117.6° | 120.0° |
| C7 | O1 | C8 | 119.0° | 117.0° |
| O1 | C8 | C9 | 113.8° | 109.5° |
| O1 | C8 | H1 | 108.4° | 109.5° |
| O1 | C8 | H2 | 108.4° | 109.5° |
| C10 | C9 | C8 | 113.3° | 109.5° |
| C10 | C9 | C11 | 109.2° | 109.5° |
| C10 | C9 | H3 | 108.3° | 109.5° |
| C9 | C10 | H4 | 109.5° | 109.5° |
| C9 | C10 | H5 | 109.5° | 109.5° |
| C9 | C10 | H6 | 109.5° | 109.5° |
| C8 | C9 | C11 | 109.3° | 109.5° |
| C9 | C8 | H1 | 108.4° | 109.5° |
| C9 | C8 | H2 | 108.4° | 109.5° |
| C8 | C9 | H3 | 108.3° | 109.5° |
| C11 | C9 | H3 | 108.4° | 109.5° |
| C9 | C11 | H7 | 109.5° | 109.5° |
| C9 | C11 | H8 | 109.5° | 109.5° |
| C9 | C11 | H9 | 109.5° | 109.4° |
| H1 | C8 | H2 | 109.5° | 109.4° |
| H4 | C10 | H5 | 109.5° | 109.5° |
| H4 | C10 | H6 | 109.5° | 109.5° |
| H5 | C10 | H6 | 109.4° | 109.5° |
| H7 | C11 | H8 | 109.4° | 109.5° |
| H7 | C11 | H9 | 109.4° | 109.5° |
| H8 | C11 | H9 | 109.5° | 109.5° |
| H10 | C6 | H11 | 109.5° | 109.4° |
| H12 | C5 | H13 | 109.5° | 109.5° |
| H14 | C4 | H15 | 109.5° | 109.5° |
| H16 | C3 | H17 | 109.5° | 109.4° |
| H21 | C1 | H22 | 109.4° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N1 | C13 | H24 | 180.0° | 179.8° |
| N1 | C | C1 | C12 | 111.3° | 114.2° |
| N1 | C | C1 | H23 | 124.2° | 121.7° |
| N1 | C | C1 | S | 93.8° | 90.2° |
| C | N1 | C13 | O2 | 175.2° | 179.8° |
| N1 | C | C12 | H23 | 121.0° | 118.9° |
| C | N1 | C13 | N | 4.2° | 0.2° |
| N1 | C | C12 | N | 5.2° | 0.3° |
| N1 | C | C12 | C2 | 123.8° | 118.0° |
| N1 | C | C12 | H19 | 114.2° | 118.6° |
| N1 | C | C1 | H21 | 146.8° | 28.7° |
| N1 | C | C1 | H22 | 25.6° | 152.1° |
| C13 | N1 | C | C1 | 110.6° | 120.0° |
| N1 | C13 | O2 | N | 179.3° | 180.0° |
| C13 | N1 | C | C12 | 5.9° | 0.3° |
| N1 | C13 | N | C12 | 0.4° | 0.0° |
| N1 | C13 | N | H20 | 179.7° | 180.0° |
| C13 | N1 | C | H23 | 125.9° | 118.6° |
| C | C1 | S | H21 | 119.4° | 118.6° |
| C | C1 | S | H22 | 119.4° | 118.1° |
| C1 | C | C12 | H23 | 124.7° | 123.8° |
| C | C1 | S | C2 | 32.8° | 34.2° |
| C1 | C | C12 | N | 109.1° | 117.6° |
| C1 | C | C12 | C2 | 9.5° | 0.6° |
| C1 | C | C12 | H19 | 131.5° | 124.1° |
| C | C1 | H21 | H22 | 121.8° | 123.4° |
| C1 | C | N1 | H24 | 69.4° | 59.8° |
| S | C1 | C | C12 | 17.5° | 24.0° |
| C1 | S | C2 | C12 | 38.2° | 34.6° |
| C1 | S | C2 | C3 | 164.3° | 153.0° |
| C1 | S | C2 | H18 | 76.7° | 83.8° |
| S | C1 | H21 | H22 | 121.8° | 122.9° |
| S | C1 | C | H23 | 142.0° | 148.1° |
| O2 | C13 | N | C12 | 179.0° | 180.0° |
| O2 | C13 | N | H20 | 0.9° | 0.0° |
| O2 | C13 | N1 | H24 | 4.9° | 0.4° |
| C | C12 | N | C13 | 3.2° | 0.2° |
| C | C12 | C2 | S | 31.8° | 24.9° |
| C | C12 | N | C2 | 116.7° | 120.4° |
| C | C12 | N | H19 | 118.4° | 118.3° |
| C | C12 | C2 | H19 | 121.9° | 123.4° |
| C | C12 | C2 | C3 | 155.9° | 143.3° |
| C | C12 | C2 | H18 | 81.1° | 93.6° |
| C | C12 | N | H20 | 176.7° | 179.8° |
| C12 | C | C1 | H21 | 101.9° | 142.9° |
| C12 | C | C1 | H22 | 136.9° | 93.6° |
| C12 | C | N1 | H24 | 174.0° | 179.5° |
| C13 | N | C12 | H20 | 180.0° | 180.0° |
| C13 | N | C12 | C2 | 119.9° | 120.2° |
| C13 | N | C12 | H19 | 115.2° | 118.5° |
| N | C13 | N1 | H24 | 175.7° | 179.6° |
| S | C2 | C12 | N | 80.8° | 90.4° |
| S | C2 | C12 | C3 | 124.1° | 118.4° |
| S | C2 | C12 | H18 | 112.9° | 118.5° |
| S | C2 | C3 | H18 | 117.5° | 123.3° |
| S | C2 | C3 | C4 | 74.7° | 68.9° |
| S | C2 | C3 | H16 | 45.3° | 171.0° |
| S | C2 | C3 | H17 | 165.2° | 51.0° |
| S | C2 | C12 | H19 | 153.7° | 148.3° |
| C2 | S | C1 | H21 | 86.6° | 152.8° |
| C2 | S | C1 | H22 | 152.2° | 83.8° |
| N | C12 | C2 | H19 | 125.5° | 121.3° |
| N | C12 | C2 | C3 | 43.2° | 28.0° |
| N | C12 | C2 | H18 | 166.2° | 151.2° |
| N | C12 | C | H23 | 126.2° | 118.6° |
| C12 | C2 | C3 | H18 | 123.0° | 123.2° |
| C12 | C2 | C3 | C4 | 165.8° | 177.6° |
| C12 | C2 | C3 | H16 | 74.1° | 57.5° |
| C12 | C2 | C3 | H17 | 45.7° | 62.5° |
| C2 | C12 | N | H20 | 60.1° | 59.8° |
| C2 | C12 | C | H23 | 115.2° | 123.2° |
| C2 | C3 | C4 | H16 | 120.1° | 120.0° |
| C2 | C3 | C4 | H17 | 120.1° | 120.0° |
| C2 | C3 | C4 | C5 | 176.7° | 180.0° |
| C2 | C3 | C4 | H14 | 56.2° | 60.0° |
| C2 | C3 | C4 | H15 | 62.9° | 60.0° |
| C2 | C3 | H16 | H17 | 119.8° | 120.0° |
| C3 | C2 | C12 | H19 | 82.2° | 93.3° |
| C3 | C4 | C5 | H14 | 120.4° | 120.0° |
| C3 | C4 | C5 | H15 | 120.4° | 120.0° |
| C3 | C4 | C5 | C6 | 178.6° | 180.0° |
| C3 | C4 | C5 | H12 | 61.0° | 60.0° |
| C3 | C4 | C5 | H13 | 58.1° | 60.1° |
| C3 | C4 | H14 | H15 | 118.7° | 120.0° |
| C4 | C3 | H16 | H17 | 119.7° | 120.0° |
| C4 | C3 | C2 | H18 | 42.8° | 54.3° |
| C4 | C5 | C6 | H12 | 120.5° | 120.0° |
| C4 | C5 | C6 | H13 | 120.4° | 120.0° |
| C4 | C5 | C6 | C7 | 78.2° | 180.0° |
| C4 | C5 | C6 | H10 | 41.9° | 60.0° |
| C4 | C5 | C6 | H11 | 161.7° | 60.0° |
| C4 | C5 | H12 | H13 | 118.6° | 120.1° |
| C5 | C4 | H14 | H15 | 118.7° | 120.0° |
| C5 | C4 | C3 | H16 | 63.3° | 60.0° |
| C5 | C4 | C3 | H17 | 56.6° | 60.0° |
| C5 | C6 | C7 | H10 | 120.1° | 120.0° |
| C5 | C6 | C7 | H11 | 120.1° | 120.0° |
| C5 | C6 | C7 | O1 | 141.9° | 180.0° |
| C5 | C6 | C7 | O | 37.3° | 0.3° |
| C5 | C6 | H10 | H11 | 119.7° | 120.0° |
| C6 | C5 | H12 | H13 | 118.7° | 120.0° |
| C6 | C5 | C4 | H14 | 58.1° | 60.0° |
| C6 | C5 | C4 | H15 | 61.0° | 60.0° |
| C6 | C7 | O1 | O | 179.3° | 179.7° |
| C6 | C7 | O1 | C8 | 168.3° | 179.7° |
| C7 | C6 | H10 | H11 | 119.7° | 120.0° |
| C7 | C6 | C5 | H12 | 161.4° | 60.0° |
| C7 | C6 | C5 | H13 | 42.3° | 60.0° |
| C7 | O1 | C8 | C9 | 111.6° | 180.0° |
| C7 | O1 | C8 | H1 | 127.7° | 60.0° |
| C7 | O1 | C8 | H2 | 9.0° | 60.0° |
| O1 | C7 | C6 | H10 | 21.8° | 60.0° |
| O1 | C7 | C6 | H11 | 98.0° | 60.0° |
| O | C7 | O1 | C8 | 12.4° | 0.0° |
| O | C7 | C6 | H10 | 157.4° | 120.3° |
| O | C7 | C6 | H11 | 82.7° | 119.7° |
| O1 | C8 | C9 | C10 | 89.0° | 65.0° |
| O1 | C8 | C9 | H1 | 120.6° | 120.0° |
| O1 | C8 | C9 | H2 | 120.6° | 120.0° |
| O1 | C8 | C9 | C11 | 149.0° | 175.0° |
| O1 | C8 | H1 | H2 | 118.0° | 120.0° |
| O1 | C8 | C9 | H3 | 31.1° | 55.0° |
| C10 | C9 | C8 | C11 | 121.9° | 120.0° |
| C10 | C9 | C8 | H3 | 120.2° | 120.0° |
| C10 | C9 | C11 | H3 | 117.7° | 120.0° |
| C10 | C9 | C8 | H1 | 150.3° | 55.0° |
| C10 | C9 | C8 | H2 | 31.6° | 175.0° |
| C9 | C10 | H4 | H5 | 120.0° | 120.0° |
| C9 | C10 | H4 | H6 | 120.0° | 120.0° |
| C9 | C10 | H5 | H6 | 120.0° | 120.0° |
| C10 | C9 | C11 | H7 | 180.0° | 60.0° |
| C10 | C9 | C11 | H8 | 60.0° | 180.0° |
| C10 | C9 | C11 | H9 | 60.0° | 60.0° |
| C8 | C9 | C11 | H3 | 117.9° | 120.0° |
| C9 | C8 | H1 | H2 | 118.0° | 120.0° |
| C8 | C9 | C10 | H4 | 180.0° | 180.0° |
| C8 | C9 | C10 | H5 | 60.0° | 60.0° |
| C8 | C9 | C10 | H6 | 60.0° | 60.0° |
| C8 | C9 | C11 | H7 | 55.6° | 60.0° |
| C8 | C9 | C11 | H8 | 64.4° | 60.0° |
| C8 | C9 | C11 | H9 | 175.6° | 180.0° |
| C11 | C9 | C8 | H1 | 28.4° | 65.0° |
| C11 | C9 | C8 | H2 | 90.3° | 55.0° |
| C11 | C9 | C10 | H4 | 58.0° | 60.0° |
| C11 | C9 | C10 | H5 | 62.0° | 180.0° |
| C11 | C9 | C10 | H6 | 178.0° | 60.0° |
| C9 | C11 | H7 | H8 | 120.0° | 120.0° |
| C9 | C11 | H7 | H9 | 120.0° | 120.0° |
| C9 | C11 | H8 | H9 | 120.0° | 120.0° |
| H1 | C8 | C9 | H3 | 89.5° | 175.0° |
| H2 | C8 | C9 | H3 | 151.8° | 65.0° |
| H3 | C9 | C10 | H4 | 59.8° | 60.0° |
| H3 | C9 | C10 | H5 | 179.8° | 60.0° |
| H3 | C9 | C10 | H6 | 60.2° | 180.0° |
| H3 | C9 | C11 | H7 | 62.3° | 180.0° |
| H3 | C9 | C11 | H8 | 177.8° | 60.0° |
| H3 | C9 | C11 | H9 | 57.7° | 60.0° |
| H4 | C10 | H5 | H6 | 120.0° | 120.0° |
| H7 | C11 | H8 | H9 | 119.9° | 120.0° |
| H10 | C6 | C5 | H12 | 78.5° | 180.0° |
| H10 | C6 | C5 | H13 | 162.4° | 60.0° |
| H11 | C6 | C5 | H12 | 41.3° | 60.0° |
| H11 | C6 | C5 | H13 | 77.8° | 180.0° |
| H12 | C5 | C4 | H14 | 178.6° | 180.0° |
| H12 | C5 | C4 | H15 | 59.4° | 60.0° |
| H13 | C5 | C4 | H14 | 62.3° | 60.0° |
| H13 | C5 | C4 | H15 | 178.5° | 180.0° |
| H14 | C4 | C3 | H16 | 176.3° | 180.0° |
| H14 | C4 | C3 | H17 | 63.9° | 60.0° |
| H15 | C4 | C3 | H16 | 57.1° | 60.0° |
| H15 | C4 | C3 | H17 | 177.0° | 180.0° |
| H16 | C3 | C2 | H18 | 162.9° | 65.7° |
| H17 | C3 | C2 | H18 | 77.3° | 174.3° |
| H18 | C2 | C12 | H19 | 40.7° | 29.9° |
| H19 | C12 | N | H20 | 64.8° | 61.5° |
| H19 | C12 | C | H23 | 6.9° | 0.3° |
| H21 | C1 | C | H23 | 22.6° | 93.0° |
| H22 | C1 | C | H23 | 98.6° | 30.4° |
| H23 | C | N1 | H24 | 54.0° | 61.6° |
