B7J
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O27 | C26 | doub | 1.22Å | 1.21Å | |
| C26 | N28 | sing | 1.33Å | 1.36Å | |
| C26 | N05 | sing | 1.34Å | 1.42Å | |
| N28 | C29 | doub | 1.33Å | 1.35Å | |
| C07 | C06 | sing | 1.55Å | 1.57Å | |
| C07 | C08 | sing | 1.54Å | 1.53Å | |
| C06 | N05 | sing | 1.46Å | 1.45Å | |
| C06 | O25 | sing | 1.44Å | 1.42Å | |
| N05 | C04 | sing | 1.35Å | 1.38Å | |
| C29 | N30 | sing | 1.37Å | 1.35Å | |
| C29 | C03 | sing | 1.47Å | 1.44Å | |
| O09 | C08 | sing | 1.43Å | 1.42Å | |
| C08 | C10 | sing | 1.55Å | 1.49Å | |
| O25 | C10 | sing | 1.44Å | 1.43Å | |
| C04 | C03 | doub | 1.39Å | 1.37Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C03 | C01 | sing | 1.47Å | 1.46Å | |
| O19 | P17 | doub | 1.48Å | 1.52Å | |
| C11 | O12 | sing | 1.43Å | 1.38Å | |
| C01 | O02 | doub | 1.21Å | 1.21Å | |
| O12 | P13 | sing | 1.61Å | 1.62Å | |
| P17 | O16 | sing | 1.61Å | 1.73Å | |
| P17 | O18 | sing | 1.61Å | 1.53Å | |
| P17 | O20 | sing | 1.61Å | 1.60Å | |
| O16 | P13 | sing | 1.61Å | 1.51Å | |
| O20 | P21 | sing | 1.61Å | 1.59Å | |
| P13 | O14 | doub | 1.48Å | 1.54Å | |
| P13 | O15 | sing | 1.61Å | 1.52Å | |
| O23 | P21 | doub | 1.48Å | 1.50Å | |
| P21 | O22 | sing | 1.61Å | 1.54Å | |
| P21 | O24 | sing | 1.61Å | 1.53Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.08Å | 1.08Å | |
| C04 | H3 | sing | 1.08Å | 1.08Å | |
| C06 | H4 | sing | 1.09Å | 1.10Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C08 | H7 | sing | 1.09Å | 1.10Å | |
| O09 | H8 | sing | 0.97Å | 0.95Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| O15 | H11 | sing | 0.97Å | 0.95Å | |
| O18 | H12 | sing | 0.97Å | 0.95Å | |
| O22 | H13 | sing | 0.97Å | 0.95Å | |
| O24 | H14 | sing | 0.97Å | 0.95Å | |
| N30 | H15 | sing | 0.97Å | 1.00Å | |
| N30 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O27 | C26 | N28 | 122.4° | 118.8° |
| O27 | C26 | N05 | 119.3° | 118.8° |
| N28 | C26 | N05 | 118.3° | 122.4° |
| C26 | N28 | C29 | 122.9° | 120.8° |
| C26 | N05 | C06 | 119.1° | 119.3° |
| C26 | N05 | C04 | 118.3° | 121.2° |
| N28 | C29 | N30 | 118.9° | 120.7° |
| N28 | C29 | C03 | 120.2° | 118.7° |
| C06 | C07 | C08 | 103.8° | 104.1° |
| C07 | C06 | N05 | 110.0° | 110.4° |
| C07 | C06 | O25 | 103.3° | 104.8° |
| C07 | C06 | H4 | 110.1° | 110.4° |
| C06 | C07 | H5 | 110.9° | 110.5° |
| C06 | C07 | H6 | 110.9° | 110.6° |
| C07 | C08 | O09 | 110.7° | 110.6° |
| C07 | C08 | C10 | 99.7° | 104.1° |
| C08 | C07 | H5 | 110.8° | 110.5° |
| C08 | C07 | H6 | 110.9° | 110.5° |
| C07 | C08 | H7 | 111.5° | 110.5° |
| N05 | C06 | O25 | 108.7° | 110.4° |
| C06 | N05 | C04 | 122.5° | 119.4° |
| N05 | C06 | H4 | 111.9° | 110.3° |
| C06 | O25 | C10 | 111.0° | 105.3° |
| O25 | C06 | H4 | 112.4° | 110.4° |
| N05 | C04 | C03 | 124.1° | 119.0° |
| N05 | C04 | H3 | 118.0° | 120.5° |
| N30 | C29 | C03 | 120.9° | 120.7° |
| C29 | N30 | H15 | 120.0° | 120.0° |
| C29 | N30 | H16 | 120.0° | 120.0° |
| C29 | C03 | C04 | 116.1° | 117.9° |
| C29 | C03 | C01 | 121.3° | 121.0° |
| O09 | C08 | C10 | 108.7° | 110.5° |
| O09 | C08 | H7 | 113.3° | 110.5° |
| C08 | O09 | H8 | 109.5° | 114.0° |
| C08 | C10 | O25 | 105.8° | 104.9° |
| C08 | C10 | C11 | 111.6° | 110.4° |
| C08 | C10 | H1 | 109.0° | 110.4° |
| C10 | C08 | H7 | 112.1° | 110.5° |
| O25 | C10 | C11 | 112.1° | 110.4° |
| O25 | C10 | H1 | 109.8° | 110.3° |
| C04 | C03 | C01 | 122.6° | 121.0° |
| C03 | C04 | H3 | 117.9° | 120.5° |
| C10 | C11 | O12 | 112.9° | 109.5° |
| C11 | C10 | H1 | 108.5° | 110.3° |
| C10 | C11 | H9 | 108.6° | 109.5° |
| C10 | C11 | H10 | 108.6° | 109.5° |
| C03 | C01 | O02 | 125.2° | 120.0° |
| C03 | C01 | H2 | 117.4° | 120.0° |
| O19 | P17 | O16 | 103.2° | 109.5° |
| O19 | P17 | O18 | 110.0° | 109.5° |
| O19 | P17 | O20 | 110.1° | 109.4° |
| C11 | O12 | P13 | 122.7° | 123.0° |
| O12 | C11 | H9 | 108.6° | 109.4° |
| O12 | C11 | H10 | 108.6° | 109.5° |
| O02 | C01 | H2 | 117.4° | 120.0° |
| O12 | P13 | O16 | 105.1° | 109.4° |
| O12 | P13 | O14 | 103.5° | 109.5° |
| O12 | P13 | O15 | 103.7° | 109.4° |
| O16 | P17 | O18 | 104.4° | 109.5° |
| O16 | P17 | O20 | 113.1° | 109.5° |
| P17 | O16 | P13 | 130.2° | 134.0° |
| O18 | P17 | O20 | 115.2° | 109.5° |
| P17 | O18 | H12 | 109.5° | 114.0° |
| P17 | O20 | P21 | 128.2° | 134.0° |
| O16 | P13 | O14 | 114.6° | 109.5° |
| O16 | P13 | O15 | 114.3° | 109.5° |
| O20 | P21 | O23 | 106.9° | 109.5° |
| O20 | P21 | O22 | 106.4° | 109.5° |
| O20 | P21 | O24 | 106.6° | 109.5° |
| O14 | P13 | O15 | 113.8° | 109.5° |
| P13 | O15 | H11 | 109.5° | 114.0° |
| O23 | P21 | O22 | 113.5° | 109.5° |
| O23 | P21 | O24 | 111.4° | 109.5° |
| O22 | P21 | O24 | 111.6° | 109.5° |
| P21 | O22 | H13 | 109.5° | 114.0° |
| P21 | O24 | H14 | 109.5° | 114.0° |
| H5 | C07 | H6 | 109.5° | 110.5° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H15 | N30 | H16 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O27 | C26 | N28 | N05 | 179.8° | 179.6° |
| O27 | C26 | N28 | C29 | 179.8° | 179.7° |
| O27 | C26 | N05 | C06 | 2.6° | 0.4° |
| O27 | C26 | N05 | C04 | 179.1° | 179.7° |
| N28 | C26 | N05 | C06 | 177.6° | 180.0° |
| N28 | C26 | N05 | C04 | 1.2° | 0.0° |
| C26 | N28 | C29 | N30 | 179.6° | 180.0° |
| C26 | N28 | C29 | C03 | 0.6° | 0.0° |
| N05 | C26 | N28 | C29 | 0.0° | 0.0° |
| C26 | N05 | C06 | C07 | 95.0° | 61.9° |
| C26 | N05 | C06 | C04 | 176.3° | 180.0° |
| C26 | N05 | C06 | O25 | 152.5° | 53.5° |
| C26 | N05 | C04 | C03 | 1.8° | 0.0° |
| C26 | N05 | C04 | H3 | 178.3° | 179.9° |
| C26 | N05 | C06 | H4 | 27.7° | 175.8° |
| N28 | C29 | N30 | C03 | 179.0° | 179.9° |
| N28 | C29 | C03 | C04 | 0.1° | 0.0° |
| N28 | C29 | C03 | C01 | 179.2° | 180.0° |
| N28 | C29 | N30 | H15 | 0.0° | 5.2° |
| N28 | C29 | N30 | H16 | 180.0° | 174.7° |
| C06 | C07 | C08 | H5 | 119.1° | 118.6° |
| C06 | C07 | C08 | H6 | 119.1° | 118.7° |
| C07 | C06 | N05 | O25 | 112.5° | 115.4° |
| C07 | C06 | N05 | H4 | 122.8° | 122.3° |
| C07 | C06 | O25 | H4 | 118.7° | 118.9° |
| C07 | C06 | N05 | C04 | 81.3° | 118.1° |
| C06 | C07 | C08 | O09 | 150.6° | 118.6° |
| C06 | C07 | C08 | C10 | 36.2° | 0.1° |
| C07 | C06 | O25 | C10 | 4.1° | 40.4° |
| C06 | C07 | H5 | H6 | 122.6° | 122.7° |
| C06 | C07 | C08 | H7 | 82.3° | 118.7° |
| C08 | C07 | C06 | N05 | 95.2° | 142.9° |
| C08 | C07 | C06 | O25 | 20.8° | 24.0° |
| C07 | C08 | O09 | C10 | 108.6° | 114.7° |
| C07 | C08 | O09 | H7 | 126.1° | 122.7° |
| C07 | C08 | C10 | H7 | 118.0° | 118.6° |
| C07 | C08 | C10 | O25 | 39.6° | 23.8° |
| C07 | C08 | C10 | C11 | 161.8° | 142.8° |
| C07 | C08 | C10 | H1 | 78.4° | 95.0° |
| C08 | C07 | C06 | H4 | 141.1° | 94.9° |
| C08 | C07 | H5 | H6 | 122.6° | 122.7° |
| C07 | C08 | O09 | H8 | 136.0° | 61.4° |
| N05 | C06 | O25 | H4 | 124.4° | 122.2° |
| N05 | C06 | O25 | C10 | 121.0° | 159.3° |
| C06 | N05 | C04 | C03 | 178.1° | 180.0° |
| C06 | N05 | C04 | H3 | 1.9° | 0.0° |
| N05 | C06 | C07 | H5 | 145.7° | 98.5° |
| N05 | C06 | C07 | H6 | 23.9° | 24.2° |
| O25 | C06 | N05 | C04 | 31.2° | 126.5° |
| C06 | O25 | C10 | C08 | 28.5° | 40.4° |
| C06 | O25 | C10 | C11 | 150.4° | 159.3° |
| C06 | O25 | C10 | H1 | 88.9° | 78.5° |
| O25 | C06 | C07 | H5 | 98.3° | 142.6° |
| O25 | C06 | C07 | H6 | 139.9° | 94.7° |
| N05 | C04 | C03 | C29 | 1.1° | 0.0° |
| N05 | C04 | C03 | H3 | 180.0° | 179.9° |
| N05 | C04 | C03 | C01 | 179.6° | 180.0° |
| C04 | N05 | C06 | H4 | 156.0° | 4.2° |
| N30 | C29 | C03 | C04 | 179.1° | 179.9° |
| N30 | C29 | C03 | C01 | 0.3° | 0.0° |
| C29 | N30 | H15 | H16 | 180.0° | 179.9° |
| C29 | C03 | C04 | C01 | 179.3° | 180.0° |
| C29 | C03 | C01 | O02 | 27.0° | 5.4° |
| C29 | C03 | C01 | H2 | 153.0° | 174.6° |
| C29 | C03 | C04 | H3 | 178.9° | 179.9° |
| C03 | C29 | N30 | H15 | 179.0° | 174.7° |
| C03 | C29 | N30 | H16 | 1.0° | 5.4° |
| O09 | C08 | C10 | H7 | 126.0° | 122.6° |
| O09 | C08 | C10 | O25 | 155.5° | 142.6° |
| O09 | C08 | C10 | C11 | 82.3° | 98.5° |
| O09 | C08 | C10 | H1 | 37.5° | 23.8° |
| O09 | C08 | C07 | H5 | 31.5° | 0.0° |
| O09 | C08 | C07 | H6 | 90.3° | 122.7° |
| C08 | C10 | O25 | C11 | 121.9° | 118.9° |
| C08 | C10 | O25 | H1 | 117.5° | 118.9° |
| C08 | C10 | C11 | H1 | 120.1° | 122.3° |
| C08 | C10 | C11 | O12 | 60.4° | 176.6° |
| C10 | C08 | C07 | H5 | 82.9° | 118.7° |
| C10 | C08 | C07 | H6 | 155.3° | 118.6° |
| C10 | C08 | O09 | H8 | 115.4° | 176.1° |
| C08 | C10 | C11 | H9 | 179.1° | 56.6° |
| C08 | C10 | C11 | H10 | 60.1° | 63.5° |
| O25 | C10 | C11 | H1 | 121.4° | 122.2° |
| O25 | C10 | C11 | O12 | 58.1° | 67.9° |
| C10 | O25 | C06 | H4 | 114.6° | 78.4° |
| O25 | C10 | C08 | H7 | 78.5° | 94.8° |
| O25 | C10 | C11 | H9 | 62.4° | 172.1° |
| O25 | C10 | C11 | H10 | 178.6° | 52.0° |
| C04 | C03 | C01 | O02 | 152.3° | 174.6° |
| C04 | C03 | C01 | H2 | 27.7° | 5.4° |
| C10 | C11 | O12 | H9 | 120.5° | 120.0° |
| C10 | C11 | O12 | H10 | 120.5° | 120.0° |
| C10 | C11 | O12 | P13 | 126.5° | 180.0° |
| C11 | C10 | C08 | H7 | 43.7° | 24.1° |
| C10 | C11 | H9 | H10 | 118.5° | 120.0° |
| C03 | C01 | O02 | H2 | 180.0° | 180.0° |
| C01 | C03 | C04 | H3 | 0.4° | 0.1° |
| O19 | P17 | O16 | O18 | 115.1° | 120.0° |
| O19 | P17 | O16 | O20 | 119.0° | 120.0° |
| O19 | P17 | O18 | O20 | 125.2° | 119.9° |
| O19 | P17 | O16 | P13 | 146.9° | 45.0° |
| O19 | P17 | O20 | P21 | 152.4° | 40.0° |
| O19 | P17 | O18 | H12 | 0.0° | 180.0° |
| C11 | O12 | P13 | O16 | 65.4° | 175.0° |
| C11 | O12 | P13 | O14 | 174.1° | 55.0° |
| C11 | O12 | P13 | O15 | 55.0° | 65.0° |
| O12 | C11 | C10 | H1 | 179.5° | 54.3° |
| O12 | C11 | H9 | H10 | 118.4° | 120.0° |
| O12 | P13 | O16 | P17 | 111.7° | 165.0° |
| O12 | P13 | O16 | O14 | 113.0° | 120.0° |
| O12 | P13 | O16 | O15 | 113.1° | 119.9° |
| O12 | P13 | O14 | O15 | 111.9° | 120.0° |
| P13 | O12 | C11 | H9 | 113.0° | 60.0° |
| P13 | O12 | C11 | H10 | 6.0° | 60.0° |
| O12 | P13 | O15 | H11 | 111.7° | 60.0° |
| O16 | P17 | O18 | O20 | 124.6° | 120.0° |
| O16 | P17 | O20 | P21 | 92.7° | 160.0° |
| P17 | O16 | P13 | O14 | 135.3° | 45.0° |
| P17 | O16 | P13 | O15 | 1.3° | 75.1° |
| O16 | P17 | O18 | H12 | 110.2° | 59.9° |
| O18 | P17 | O16 | P13 | 31.9° | 75.0° |
| O18 | P17 | O20 | P21 | 27.3° | 79.9° |
| O20 | P17 | O16 | P13 | 94.1° | 165.0° |
| P17 | O20 | P21 | O23 | 109.4° | 40.0° |
| P17 | O20 | P21 | O22 | 12.2° | 160.0° |
| P17 | O20 | P21 | O24 | 131.3° | 80.0° |
| O20 | P17 | O18 | H12 | 125.2° | 60.1° |
| O16 | P13 | O14 | O15 | 134.2° | 120.0° |
| O16 | P13 | O15 | H11 | 134.3° | 59.9° |
| O20 | P21 | O23 | O22 | 117.0° | 120.0° |
| O20 | P21 | O23 | O24 | 116.1° | 120.0° |
| O20 | P21 | O22 | O24 | 115.9° | 120.0° |
| O20 | P21 | O22 | H13 | 117.3° | 180.0° |
| O20 | P21 | O24 | H14 | 116.3° | 60.0° |
| O14 | P13 | O15 | H11 | 0.0° | 180.0° |
| O23 | P21 | O22 | O24 | 126.9° | 120.0° |
| O23 | P21 | O22 | H13 | 0.0° | 60.0° |
| O23 | P21 | O24 | H14 | 0.0° | 180.0° |
| O22 | P21 | O24 | H14 | 128.0° | 60.0° |
| O24 | P21 | O22 | H13 | 126.9° | 60.0° |
| H1 | C10 | C08 | H7 | 163.5° | 146.4° |
| H1 | C10 | C11 | H9 | 59.0° | 65.7° |
| H1 | C10 | C11 | H10 | 60.0° | 174.2° |
| H4 | C06 | C07 | H5 | 22.0° | 23.7° |
| H4 | C06 | C07 | H6 | 99.9° | 146.4° |
| H5 | C07 | C08 | H7 | 158.6° | 122.7° |
| H6 | C07 | C08 | H7 | 36.7° | 0.0° |
| H7 | C08 | O09 | H8 | 9.9° | 61.3° |
