B8N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OP1 | P | doub | 1.48Å | 1.50Å | |
| P | O5' | sing | 1.61Å | 1.59Å | |
| P | OP2 | sing | 1.61Å | 1.50Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.50Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| O4' | C1' | sing | 1.44Å | 1.41Å | |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C1' | C2' | sing | 1.54Å | 1.53Å | |
| C1' | C5 | sing | 1.51Å | 1.48Å | |
| O2' | C2' | sing | 1.43Å | 1.42Å | |
| C6 | C5 | doub | 1.35Å | 1.38Å | |
| C6 | N1 | sing | 1.37Å | 1.33Å | |
| CN1 | N1 | sing | 1.47Å | 1.46Å | |
| C5 | C4 | sing | 1.42Å | 1.48Å | |
| N1 | C2 | sing | 1.35Å | 1.40Å | |
| C4 | O4 | doub | 1.22Å | 1.24Å | |
| C4 | N3 | sing | 1.35Å | 1.40Å | |
| C2 | N3 | sing | 1.35Å | 1.39Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| N3 | C31 | sing | 1.47Å | 1.46Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| O35 | C34 | doub | 1.21Å | 1.22Å | |
| O36 | C34 | sing | 1.34Å | 1.33Å | |
| C34 | C33 | sing | 1.51Å | 1.49Å | |
| C33 | N34 | sing | 1.47Å | 1.49Å | |
| C5' | H1 | sing | 1.09Å | 1.10Å | |
| C5' | H2 | sing | 1.09Å | 1.10Å | |
| C4' | H3 | sing | 1.09Å | 1.10Å | |
| C3' | H4 | sing | 1.09Å | 1.10Å | |
| O3' | H5 | sing | 0.97Å | 0.95Å | |
| C2' | H6 | sing | 1.09Å | 1.10Å | |
| O2' | H7 | sing | 0.97Å | 0.95Å | |
| C1' | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H9 | sing | 1.08Å | 1.08Å | |
| CN1 | H10 | sing | 1.09Å | 1.10Å | |
| CN1 | H11 | sing | 1.09Å | 1.10Å | |
| CN1 | H12 | sing | 1.09Å | 1.10Å | |
| N34 | H13 | sing | 1.01Å | 1.00Å | |
| N34 | H14 | sing | 1.01Å | 1.00Å | |
| OP2 | H17 | sing | 0.97Å | 0.95Å | |
| C31 | H18 | sing | 1.09Å | 1.10Å | |
| C31 | H19 | sing | 1.09Å | 1.10Å | |
| C32 | H20 | sing | 1.09Å | 1.10Å | |
| C32 | H21 | sing | 1.09Å | 1.10Å | |
| C33 | H22 | sing | 1.09Å | 1.10Å | |
| O36 | H23 | sing | 0.97Å | 0.95Å | |
| P | OP3 | sing | 1.61Å | 1.60Å | |
| OP3 | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OP1 | P | O5' | 108.0° | 109.4° |
| OP1 | P | OP2 | 120.1° | 109.5° |
| OP1 | P | OP3 | 107.3° | 109.5° |
| O5' | P | OP2 | 107.8° | 109.5° |
| P | O5' | C5' | 120.6° | 123.0° |
| O5' | P | OP3 | 103.7° | 109.4° |
| P | OP2 | H17 | 109.5° | 114.0° |
| OP2 | P | OP3 | 108.8° | 109.5° |
| O5' | C5' | C4' | 111.2° | 109.5° |
| O5' | C5' | H1 | 109.0° | 109.5° |
| O5' | C5' | H2 | 109.1° | 109.5° |
| C5' | C4' | O4' | 109.1° | 110.6° |
| C5' | C4' | C3' | 115.5° | 110.6° |
| C4' | C5' | H1 | 109.0° | 109.5° |
| C4' | C5' | H2 | 109.0° | 109.5° |
| C5' | C4' | H3 | 109.1° | 110.6° |
| O4' | C4' | C3' | 104.1° | 103.5° |
| C4' | O4' | C1' | 110.0° | 107.0° |
| O4' | C4' | H3 | 110.0° | 110.6° |
| C4' | C3' | O3' | 112.2° | 110.9° |
| C4' | C3' | C2' | 102.8° | 102.1° |
| C3' | C4' | H3 | 109.0° | 110.8° |
| C4' | C3' | H4 | 108.9° | 110.9° |
| O4' | C1' | C2' | 107.9° | 107.3° |
| O4' | C1' | C5 | 109.2° | 109.9° |
| O4' | C1' | H8 | 109.9° | 109.8° |
| O3' | C3' | C2' | 113.4° | 110.9° |
| O3' | C3' | H4 | 110.4° | 110.9° |
| C3' | O3' | H5 | 109.5° | 114.0° |
| C3' | C2' | C1' | 102.0° | 104.2° |
| C3' | C2' | O2' | 110.4° | 110.5° |
| C2' | C3' | H4 | 108.9° | 110.9° |
| C3' | C2' | H6 | 111.4° | 110.5° |
| C2' | C1' | C5 | 112.9° | 109.9° |
| C1' | C2' | O2' | 108.1° | 110.6° |
| C1' | C2' | H6 | 111.3° | 110.5° |
| C2' | C1' | H8 | 108.2° | 109.9° |
| C1' | C5 | C6 | 120.4° | 120.5° |
| C1' | C5 | C4 | 120.5° | 120.5° |
| C5 | C1' | H8 | 108.8° | 110.0° |
| O2' | C2' | H6 | 113.1° | 110.4° |
| C2' | O2' | H7 | 109.5° | 114.0° |
| C5 | C6 | N1 | 121.1° | 119.7° |
| C6 | C5 | C4 | 119.0° | 119.1° |
| C5 | C6 | H9 | 119.5° | 120.1° |
| C6 | N1 | CN1 | 119.9° | 119.7° |
| C6 | N1 | C2 | 121.4° | 120.6° |
| N1 | C6 | H9 | 119.5° | 120.2° |
| CN1 | N1 | C2 | 118.7° | 119.7° |
| N1 | CN1 | H10 | 109.5° | 109.4° |
| N1 | CN1 | H11 | 109.5° | 109.4° |
| N1 | CN1 | H12 | 109.5° | 109.5° |
| C5 | C4 | O4 | 120.8° | 120.3° |
| C5 | C4 | N3 | 118.3° | 119.4° |
| N1 | C2 | N3 | 121.1° | 120.9° |
| N1 | C2 | O2 | 119.7° | 119.5° |
| O4 | C4 | N3 | 120.8° | 120.3° |
| C4 | N3 | C2 | 119.1° | 120.3° |
| C4 | N3 | C31 | 121.4° | 119.9° |
| N3 | C2 | O2 | 119.2° | 119.6° |
| C2 | N3 | C31 | 119.5° | 119.8° |
| N3 | C31 | C32 | 112.3° | 109.4° |
| N3 | C31 | H18 | 108.8° | 109.4° |
| N3 | C31 | H19 | 108.8° | 109.5° |
| C31 | C32 | C33 | 109.8° | 109.4° |
| C32 | C31 | H18 | 108.7° | 109.5° |
| C32 | C31 | H19 | 108.8° | 109.5° |
| C31 | C32 | H20 | 109.4° | 109.4° |
| C31 | C32 | H21 | 109.4° | 109.5° |
| C32 | C33 | C34 | 108.4° | 109.4° |
| C32 | C33 | N34 | 110.2° | 109.5° |
| C33 | C32 | H20 | 109.4° | 109.5° |
| C33 | C32 | H21 | 109.4° | 109.5° |
| C32 | C33 | H22 | 108.8° | 109.5° |
| O35 | C34 | O36 | 119.3° | 120.0° |
| O35 | C34 | C33 | 120.9° | 120.0° |
| O36 | C34 | C33 | 119.8° | 120.0° |
| C34 | O36 | H23 | 109.5° | 117.0° |
| C34 | C33 | N34 | 111.1° | 109.5° |
| C34 | C33 | H22 | 109.1° | 109.4° |
| C33 | N34 | H13 | 109.5° | 111.0° |
| C33 | N34 | H14 | 109.5° | 111.0° |
| N34 | C33 | H22 | 109.2° | 109.5° |
| H1 | C5' | H2 | 109.5° | 109.4° |
| H10 | CN1 | H11 | 109.4° | 109.5° |
| H10 | CN1 | H12 | 109.5° | 109.5° |
| H11 | CN1 | H12 | 109.5° | 109.5° |
| H13 | N34 | H14 | 109.4° | 111.1° |
| H18 | C31 | H19 | 109.5° | 109.5° |
| H20 | C32 | H21 | 109.4° | 109.5° |
| P | OP3 | H15 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OP1 | P | O5' | OP2 | 131.1° | 120.0° |
| OP1 | P | O5' | OP3 | 113.7° | 119.9° |
| OP1 | P | OP2 | OP3 | 124.0° | 120.0° |
| OP1 | P | O5' | C5' | 160.6° | 55.0° |
| OP1 | P | OP2 | H17 | 0.0° | 180.0° |
| OP1 | P | OP3 | H15 | 0.0° | 60.0° |
| O5' | P | OP2 | OP3 | 111.9° | 120.0° |
| P | O5' | C5' | C4' | 154.6° | 180.0° |
| P | O5' | C5' | H1 | 34.3° | 60.0° |
| P | O5' | C5' | H2 | 85.2° | 60.0° |
| O5' | P | OP2 | H17 | 124.1° | 60.1° |
| O5' | P | OP3 | H15 | 114.2° | 180.0° |
| OP2 | P | O5' | C5' | 68.3° | 65.0° |
| OP2 | P | OP3 | H15 | 131.3° | 60.0° |
| O5' | C5' | C4' | H1 | 120.2° | 120.0° |
| O5' | C5' | C4' | H2 | 120.3° | 120.0° |
| O5' | C5' | C4' | O4' | 10.6° | 66.5° |
| O5' | C5' | C4' | C3' | 106.1° | 179.5° |
| O5' | C5' | H1 | H2 | 119.2° | 120.0° |
| O5' | C5' | C4' | H3 | 130.8° | 56.4° |
| C5' | O5' | P | OP3 | 46.9° | 175.0° |
| C5' | C4' | O4' | C3' | 123.8° | 118.5° |
| C5' | C4' | O4' | H3 | 119.6° | 122.9° |
| C5' | C4' | C3' | H3 | 123.2° | 123.0° |
| C5' | C4' | O4' | C1' | 147.8° | 158.5° |
| C5' | C4' | C3' | O3' | 82.7° | 86.3° |
| C5' | C4' | C3' | C2' | 155.2° | 155.5° |
| C4' | C5' | H1 | H2 | 119.2° | 120.0° |
| C5' | C4' | C3' | H4 | 39.8° | 37.3° |
| O4' | C4' | C3' | H3 | 117.3° | 118.6° |
| O4' | C4' | C3' | O3' | 157.8° | 155.2° |
| O4' | C4' | C3' | C2' | 35.7° | 37.0° |
| C4' | O4' | C1' | C2' | 2.4° | 26.5° |
| C4' | O4' | C1' | C5 | 125.4° | 145.9° |
| O4' | C4' | C5' | H1 | 130.9° | 53.5° |
| O4' | C4' | C5' | H2 | 109.7° | 173.5° |
| O4' | C4' | C3' | H4 | 79.7° | 81.2° |
| C4' | O4' | C1' | H8 | 115.3° | 92.9° |
| C3' | C4' | O4' | C1' | 24.0° | 40.1° |
| C4' | C3' | O3' | C2' | 115.9° | 112.7° |
| C4' | C3' | O3' | H4 | 121.7° | 123.7° |
| C4' | C3' | C2' | H4 | 115.4° | 118.2° |
| C4' | C3' | C2' | C1' | 33.4° | 20.9° |
| C4' | C3' | C2' | O2' | 81.3° | 97.9° |
| C3' | C4' | C5' | H1 | 14.1° | 60.5° |
| C3' | C4' | C5' | H2 | 133.6° | 59.5° |
| C4' | C3' | O3' | H5 | 180.0° | 180.0° |
| C4' | C3' | C2' | H6 | 152.2° | 139.6° |
| O4' | C1' | C2' | C3' | 20.0° | 2.0° |
| O4' | C1' | C2' | C5 | 120.7° | 119.5° |
| O4' | C1' | C2' | H8 | 118.8° | 119.4° |
| O4' | C1' | C5 | H8 | 119.9° | 121.0° |
| O4' | C1' | C2' | O2' | 96.3° | 120.8° |
| O4' | C1' | C5 | C6 | 18.3° | 126.1° |
| O4' | C1' | C5 | C4 | 160.2° | 53.5° |
| C1' | O4' | C4' | H3 | 92.5° | 78.6° |
| O4' | C1' | C2' | H6 | 138.9° | 116.7° |
| O3' | C3' | C2' | H4 | 123.2° | 123.6° |
| O3' | C3' | C2' | C1' | 154.7° | 139.1° |
| O3' | C3' | C2' | O2' | 40.0° | 20.2° |
| O3' | C3' | C4' | H3 | 40.5° | 36.6° |
| O3' | C3' | C2' | H6 | 86.5° | 102.2° |
| C3' | C2' | C1' | O2' | 116.3° | 118.8° |
| C3' | C2' | C1' | H6 | 118.9° | 118.7° |
| C3' | C2' | C1' | C5 | 100.8° | 121.5° |
| C3' | C2' | O2' | H6 | 125.5° | 122.5° |
| C2' | C3' | C4' | H3 | 81.6° | 81.5° |
| C2' | C3' | O3' | H5 | 64.1° | 67.3° |
| C3' | C2' | O2' | H7 | 180.0° | 61.4° |
| C3' | C2' | C1' | H8 | 138.8° | 117.4° |
| C2' | C1' | C5 | H8 | 120.1° | 121.1° |
| C1' | C2' | O2' | H6 | 123.7° | 122.6° |
| C2' | C1' | C5 | C6 | 101.6° | 116.0° |
| C2' | C1' | C5 | C4 | 79.8° | 64.3° |
| C1' | C2' | C3' | H4 | 82.1° | 97.3° |
| C1' | C2' | O2' | H7 | 69.3° | 176.3° |
| C5 | C1' | C2' | O2' | 142.9° | 119.8° |
| C1' | C5 | C6 | C4 | 178.6° | 179.7° |
| C1' | C5 | C6 | N1 | 179.7° | 180.0° |
| C1' | C5 | C4 | O4 | 1.2° | 0.0° |
| C1' | C5 | C4 | N3 | 179.4° | 179.7° |
| C5 | C1' | C2' | H6 | 18.1° | 2.8° |
| C1' | C5 | C6 | H9 | 0.3° | 0.1° |
| O2' | C2' | C3' | H4 | 163.3° | 143.9° |
| O2' | C2' | C1' | H8 | 22.5° | 1.4° |
| C5 | C6 | N1 | H9 | 180.0° | 179.9° |
| C5 | C6 | N1 | CN1 | 179.7° | 179.9° |
| C5 | C6 | N1 | C2 | 0.7° | 0.0° |
| C6 | C5 | C4 | O4 | 179.8° | 179.7° |
| C6 | C5 | C4 | N3 | 0.9° | 0.6° |
| C6 | C5 | C1' | H8 | 138.2° | 5.1° |
| C6 | N1 | CN1 | C2 | 179.6° | 180.0° |
| N1 | C6 | C5 | C4 | 1.1° | 0.4° |
| C6 | N1 | C2 | N3 | 0.1° | 0.0° |
| C6 | N1 | C2 | O2 | 179.9° | 180.0° |
| C6 | N1 | CN1 | H10 | 180.0° | 90.0° |
| C6 | N1 | CN1 | H11 | 60.0° | 150.0° |
| C6 | N1 | CN1 | H12 | 60.0° | 30.0° |
| CN1 | N1 | C2 | N3 | 179.7° | 180.0° |
| CN1 | N1 | C2 | O2 | 0.3° | 0.1° |
| CN1 | N1 | C6 | H9 | 0.3° | 0.0° |
| N1 | CN1 | H10 | H11 | 120.0° | 119.9° |
| N1 | CN1 | H10 | H12 | 120.0° | 120.0° |
| N1 | CN1 | H11 | H12 | 120.0° | 120.0° |
| C5 | C4 | O4 | N3 | 179.3° | 179.7° |
| C5 | C4 | N3 | C2 | 0.3° | 0.6° |
| C5 | C4 | N3 | C31 | 178.8° | 179.6° |
| C4 | C5 | C1' | H8 | 40.3° | 174.6° |
| C4 | C5 | C6 | H9 | 178.9° | 179.8° |
| N1 | C2 | N3 | C4 | 0.1° | 0.2° |
| N1 | C2 | N3 | O2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C31 | 179.1° | 180.0° |
| C2 | N1 | C6 | H9 | 179.3° | 179.9° |
| C2 | N1 | CN1 | H10 | 0.4° | 90.0° |
| C2 | N1 | CN1 | H11 | 119.6° | 29.9° |
| C2 | N1 | CN1 | H12 | 120.4° | 150.0° |
| O4 | C4 | N3 | C2 | 179.6° | 179.7° |
| O4 | C4 | N3 | C31 | 0.6° | 0.0° |
| C4 | N3 | C2 | C31 | 179.0° | 179.8° |
| C4 | N3 | C2 | O2 | 179.8° | 179.7° |
| C4 | N3 | C31 | C32 | 81.8° | 89.7° |
| C4 | N3 | C31 | H18 | 157.8° | 30.3° |
| C4 | N3 | C31 | H19 | 38.6° | 150.3° |
| C2 | N3 | C31 | C32 | 99.2° | 90.1° |
| C2 | N3 | C31 | H18 | 21.2° | 150.0° |
| C2 | N3 | C31 | H19 | 140.4° | 29.9° |
| O2 | C2 | N3 | C31 | 0.8° | 0.1° |
| N3 | C31 | C32 | H18 | 120.4° | 119.9° |
| N3 | C31 | C32 | H19 | 120.4° | 120.0° |
| N3 | C31 | C32 | C33 | 148.5° | 180.0° |
| N3 | C31 | H18 | H19 | 118.7° | 120.0° |
| N3 | C31 | C32 | H20 | 28.4° | 60.1° |
| N3 | C31 | C32 | H21 | 91.5° | 60.0° |
| C31 | C32 | C33 | H20 | 120.1° | 119.9° |
| C31 | C32 | C33 | H21 | 120.1° | 120.0° |
| C31 | C32 | C33 | C34 | 90.5° | 175.0° |
| C31 | C32 | C33 | N34 | 31.3° | 65.0° |
| C32 | C31 | H18 | H19 | 118.7° | 120.1° |
| C31 | C32 | H20 | H21 | 119.8° | 120.0° |
| C31 | C32 | C33 | H22 | 151.0° | 55.1° |
| C32 | C33 | C34 | O35 | 100.6° | 100.0° |
| C32 | C33 | C34 | O36 | 78.9° | 80.0° |
| C32 | C33 | C34 | N34 | 121.2° | 120.0° |
| C32 | C33 | C34 | H22 | 118.3° | 120.0° |
| C32 | C33 | N34 | H22 | 119.5° | 120.1° |
| C32 | C33 | N34 | H13 | 180.0° | 64.0° |
| C32 | C33 | N34 | H14 | 60.0° | 60.0° |
| C33 | C32 | C31 | H18 | 91.1° | 60.1° |
| C33 | C32 | C31 | H19 | 28.0° | 60.0° |
| C33 | C32 | H20 | H21 | 119.9° | 120.1° |
| O35 | C34 | O36 | C33 | 179.5° | 180.0° |
| O35 | C34 | C33 | N34 | 138.2° | 20.0° |
| O35 | C34 | C33 | H22 | 17.7° | 140.0° |
| O35 | C34 | O36 | H23 | 0.0° | 0.0° |
| O36 | C34 | C33 | N34 | 42.3° | 160.0° |
| O36 | C34 | C33 | H22 | 162.7° | 40.0° |
| C34 | C33 | N34 | H22 | 120.4° | 120.0° |
| C34 | C33 | N34 | H13 | 59.9° | 176.0° |
| C34 | C33 | N34 | H14 | 179.9° | 60.0° |
| C34 | C33 | C32 | H20 | 29.6° | 65.1° |
| C34 | C33 | C32 | H21 | 149.5° | 55.0° |
| C33 | C34 | O36 | H23 | 179.5° | 179.9° |
| C33 | N34 | H13 | H14 | 120.0° | 123.9° |
| N34 | C33 | C32 | H20 | 151.4° | 54.9° |
| N34 | C33 | C32 | H21 | 88.8° | 175.0° |
| H1 | C5' | C4' | H3 | 109.0° | 176.4° |
| H2 | C5' | C4' | H3 | 10.5° | 63.6° |
| H3 | C4' | C3' | H4 | 163.0° | 160.3° |
| H4 | C3' | O3' | H5 | 58.3° | 56.3° |
| H4 | C3' | C2' | H6 | 36.8° | 21.4° |
| H6 | C2' | O2' | H7 | 54.5° | 61.1° |
| H6 | C2' | C1' | H8 | 102.4° | 123.9° |
| H10 | CN1 | H11 | H12 | 120.0° | 120.0° |
| H13 | N34 | C33 | H22 | 60.5° | 56.1° |
| H14 | N34 | C33 | H22 | 59.5° | 179.9° |
| H17 | OP2 | P | OP3 | 124.0° | 59.9° |
| H18 | C31 | C32 | H20 | 148.8° | 180.0° |
| H18 | C31 | C32 | H21 | 29.0° | 59.9° |
| H19 | C31 | C32 | H20 | 92.0° | 59.9° |
| H19 | C31 | C32 | H21 | 148.1° | 180.0° |
| H20 | C32 | C33 | H22 | 88.9° | 175.0° |
| H21 | C32 | C33 | H22 | 30.9° | 64.9° |
