BR7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.49Å | |
| C11 | C02 | sing | 1.53Å | 1.48Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C02 | C08 | sing | 1.53Å | 1.49Å | |
| C02 | C03 | sing | 1.53Å | 1.48Å | |
| C08 | C07 | sing | 1.53Å | 1.56Å | |
| BR | C10 | sing | 1.97Å | 1.95Å | |
| C10 | C09 | sing | 1.53Å | 1.38Å | |
| C10 | C | sing | 1.53Å | 1.50Å | |
| C09 | C07 | sing | 1.53Å | 1.51Å | |
| C07 | N | sing | 1.47Å | 1.44Å | |
| C07 | C06 | sing | 1.53Å | 1.50Å | |
| C03 | C04 | sing | 1.53Å | 1.51Å | |
| C | C04 | sing | 1.53Å | 1.50Å | |
| C04 | C06 | sing | 1.53Å | 1.50Å | |
| C04 | C05 | sing | 1.53Å | 1.49Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C05 | H6 | sing | 1.09Å | 1.10Å | |
| C05 | H7 | sing | 1.09Å | 1.10Å | |
| C05 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C06 | H10 | sing | 1.09Å | 1.10Å | |
| N | H12 | sing | 1.01Å | 1.00Å | |
| N | H13 | sing | 1.01Å | 1.00Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| C09 | H16 | sing | 1.09Å | 1.10Å | |
| C09 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.09Å | 1.10Å | |
| C | H20 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | C11 | 109.5° | 109.5° |
| C01 | C02 | C08 | 111.3° | 109.5° |
| C01 | C02 | C03 | 111.3° | 109.5° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C02 | C01 | H2 | 109.5° | 109.5° |
| C02 | C01 | H3 | 109.5° | 109.5° |
| C02 | C11 | C10 | 112.9° | 109.4° |
| C11 | C02 | C08 | 106.5° | 109.5° |
| C11 | C02 | C03 | 105.8° | 109.5° |
| C02 | C11 | H18 | 108.6° | 109.5° |
| C02 | C11 | H19 | 108.6° | 109.5° |
| C11 | C10 | BR | 110.5° | 109.5° |
| C11 | C10 | C09 | 108.9° | 109.5° |
| C11 | C10 | C | 104.9° | 109.5° |
| C10 | C11 | H18 | 108.6° | 109.5° |
| C10 | C11 | H19 | 108.6° | 109.5° |
| C08 | C02 | C03 | 112.2° | 109.4° |
| C02 | C08 | C07 | 109.9° | 109.5° |
| C02 | C08 | H14 | 109.3° | 109.5° |
| C02 | C08 | H15 | 109.3° | 109.5° |
| C02 | C03 | C04 | 112.6° | 109.5° |
| C02 | C03 | H4 | 108.7° | 109.4° |
| C02 | C03 | H5 | 108.7° | 109.5° |
| C08 | C07 | C09 | 106.0° | 109.5° |
| C08 | C07 | N | 111.8° | 109.5° |
| C08 | C07 | C06 | 112.0° | 109.5° |
| C07 | C08 | H14 | 109.4° | 109.4° |
| C07 | C08 | H15 | 109.4° | 109.5° |
| BR | C10 | C09 | 113.5° | 109.5° |
| BR | C10 | C | 105.4° | 109.4° |
| C09 | C10 | C | 113.2° | 109.5° |
| C10 | C09 | C07 | 113.1° | 109.4° |
| C10 | C09 | H16 | 108.5° | 109.4° |
| C10 | C09 | H17 | 108.6° | 109.4° |
| C10 | C | C04 | 110.8° | 109.5° |
| C10 | C | H20 | 109.2° | 109.5° |
| C10 | C | H21 | 109.2° | 109.5° |
| C09 | C07 | N | 112.1° | 109.4° |
| C09 | C07 | C06 | 105.1° | 109.5° |
| C07 | C09 | H16 | 108.6° | 109.5° |
| C07 | C09 | H17 | 108.6° | 109.5° |
| N | C07 | C06 | 109.6° | 109.5° |
| C07 | N | H12 | 109.5° | 111.0° |
| C07 | N | H13 | 109.5° | 111.0° |
| C07 | C06 | C04 | 111.7° | 109.5° |
| C07 | C06 | H9 | 108.9° | 109.5° |
| C07 | C06 | H10 | 109.0° | 109.4° |
| C03 | C04 | C | 104.5° | 109.5° |
| C03 | C04 | C06 | 113.3° | 109.5° |
| C03 | C04 | C05 | 111.9° | 109.5° |
| C04 | C03 | H4 | 108.7° | 109.4° |
| C04 | C03 | H5 | 108.7° | 109.5° |
| C | C04 | C06 | 105.9° | 109.5° |
| C | C04 | C05 | 109.9° | 109.5° |
| C04 | C | H20 | 109.1° | 109.5° |
| C04 | C | H21 | 109.1° | 109.5° |
| C06 | C04 | C05 | 110.9° | 109.5° |
| C04 | C06 | H9 | 108.9° | 109.5° |
| C04 | C06 | H10 | 108.9° | 109.5° |
| C04 | C05 | H6 | 109.5° | 109.5° |
| C04 | C05 | H7 | 109.5° | 109.4° |
| C04 | C05 | H8 | 109.5° | 109.5° |
| H1 | C01 | H2 | 109.5° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C03 | H5 | 109.5° | 109.5° |
| H6 | C05 | H7 | 109.5° | 109.4° |
| H6 | C05 | H8 | 109.5° | 109.5° |
| H7 | C05 | H8 | 109.5° | 109.5° |
| H9 | C06 | H10 | 109.5° | 109.5° |
| H12 | N | H13 | 109.5° | 111.0° |
| H14 | C08 | H15 | 109.4° | 109.5° |
| H16 | C09 | H17 | 109.5° | 109.5° |
| H18 | C11 | H19 | 109.5° | 109.5° |
| H20 | C | H21 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | C11 | C08 | 120.5° | 120.0° |
| C01 | C02 | C11 | C03 | 120.0° | 120.0° |
| C01 | C02 | C11 | C10 | 179.8° | 180.0° |
| C01 | C02 | C08 | C03 | 125.5° | 120.0° |
| C01 | C02 | C08 | C07 | 179.1° | 180.0° |
| C01 | C02 | C03 | C04 | 179.7° | 180.0° |
| C02 | C01 | H1 | H2 | 120.0° | 120.0° |
| C02 | C01 | H1 | H3 | 120.0° | 120.0° |
| C02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | C02 | C03 | H4 | 59.2° | 60.0° |
| C01 | C02 | C03 | H5 | 59.9° | 59.9° |
| C01 | C02 | C08 | H14 | 60.8° | 60.0° |
| C01 | C02 | C08 | H15 | 59.0° | 60.0° |
| C01 | C02 | C11 | H18 | 59.3° | 60.0° |
| C01 | C02 | C11 | H19 | 59.7° | 60.0° |
| C02 | C11 | C10 | H18 | 120.5° | 120.0° |
| C02 | C11 | C10 | H19 | 120.5° | 120.0° |
| C11 | C02 | C08 | C03 | 115.3° | 120.0° |
| C11 | C02 | C08 | C07 | 59.8° | 60.0° |
| C02 | C11 | C10 | BR | 174.9° | 180.0° |
| C02 | C11 | C10 | C09 | 59.7° | 60.0° |
| C02 | C11 | C10 | C | 61.8° | 60.0° |
| C11 | C02 | C03 | C04 | 60.8° | 60.0° |
| C11 | C02 | C01 | H1 | 180.0° | 180.0° |
| C11 | C02 | C01 | H2 | 60.0° | 60.0° |
| C11 | C02 | C01 | H3 | 60.0° | 60.0° |
| C11 | C02 | C03 | H4 | 59.6° | 60.0° |
| C11 | C02 | C03 | H5 | 178.7° | 180.0° |
| C11 | C02 | C08 | H14 | 179.9° | 180.0° |
| C11 | C02 | C08 | H15 | 60.3° | 60.0° |
| C02 | C11 | H18 | H19 | 118.4° | 120.0° |
| C10 | C11 | C02 | C08 | 59.4° | 60.0° |
| C10 | C11 | C02 | C03 | 60.2° | 60.0° |
| C11 | C10 | BR | C09 | 122.7° | 120.0° |
| C11 | C10 | BR | C | 112.8° | 120.0° |
| C11 | C10 | C09 | C | 116.2° | 120.0° |
| C11 | C10 | C09 | C07 | 59.9° | 60.0° |
| C11 | C10 | C | C04 | 63.4° | 60.1° |
| C11 | C10 | C09 | H16 | 60.7° | 180.0° |
| C11 | C10 | C09 | H17 | 179.6° | 60.0° |
| C10 | C11 | H18 | H19 | 118.4° | 120.1° |
| C11 | C10 | C | H20 | 176.4° | 60.0° |
| C11 | C10 | C | H21 | 56.8° | 180.0° |
| C02 | C08 | C07 | H14 | 120.1° | 120.0° |
| C02 | C08 | C07 | H15 | 120.1° | 120.0° |
| C02 | C08 | C07 | C09 | 59.6° | 60.1° |
| C02 | C08 | C07 | N | 178.0° | 180.0° |
| C02 | C08 | C07 | C06 | 54.6° | 60.0° |
| C08 | C02 | C03 | C04 | 54.8° | 60.0° |
| C08 | C02 | C01 | H1 | 62.5° | 60.0° |
| C08 | C02 | C01 | H2 | 177.4° | 180.0° |
| C08 | C02 | C01 | H3 | 57.5° | 60.0° |
| C08 | C02 | C03 | H4 | 175.3° | 180.0° |
| C08 | C02 | C03 | H5 | 65.6° | 60.0° |
| C02 | C08 | H14 | H15 | 119.8° | 120.0° |
| C08 | C02 | C11 | H18 | 61.2° | 60.0° |
| C08 | C02 | C11 | H19 | 179.9° | 180.0° |
| C03 | C02 | C08 | C07 | 55.4° | 60.0° |
| C02 | C03 | C04 | H4 | 120.5° | 119.9° |
| C02 | C03 | C04 | H5 | 120.5° | 120.0° |
| C02 | C03 | C04 | C | 62.9° | 59.9° |
| C02 | C03 | C04 | C06 | 52.0° | 60.0° |
| C02 | C03 | C04 | C05 | 178.2° | 179.9° |
| C03 | C02 | C01 | H1 | 63.5° | 59.9° |
| C03 | C02 | C01 | H2 | 56.6° | 60.0° |
| C03 | C02 | C01 | H3 | 176.5° | 179.9° |
| C02 | C03 | H4 | H5 | 118.6° | 120.0° |
| C03 | C02 | C08 | H14 | 64.7° | 60.0° |
| C03 | C02 | C08 | H15 | 175.5° | 180.0° |
| C03 | C02 | C11 | H18 | 179.3° | 179.9° |
| C03 | C02 | C11 | H19 | 60.3° | 60.0° |
| C08 | C07 | C09 | C10 | 60.6° | 60.0° |
| C08 | C07 | C09 | N | 122.3° | 120.0° |
| C08 | C07 | C09 | C06 | 118.8° | 120.1° |
| C08 | C07 | N | C06 | 124.8° | 120.1° |
| C08 | C07 | C06 | C04 | 52.1° | 60.0° |
| C08 | C07 | C06 | H9 | 68.2° | 180.0° |
| C08 | C07 | C06 | H10 | 172.5° | 60.0° |
| C08 | C07 | N | H12 | 180.0° | 59.9° |
| C08 | C07 | N | H13 | 60.0° | 176.1° |
| C07 | C08 | H14 | H15 | 119.8° | 120.0° |
| C08 | C07 | C09 | H16 | 60.0° | 180.0° |
| C08 | C07 | C09 | H17 | 178.9° | 59.9° |
| BR | C10 | C09 | C | 120.1° | 120.0° |
| BR | C10 | C09 | C07 | 176.5° | 180.0° |
| BR | C10 | C | C04 | 179.9° | 180.0° |
| BR | C10 | C09 | H16 | 62.9° | 60.0° |
| BR | C10 | C09 | H17 | 56.0° | 60.0° |
| BR | C10 | C11 | H18 | 64.6° | 60.1° |
| BR | C10 | C11 | H19 | 54.3° | 60.0° |
| BR | C10 | C | H20 | 59.7° | 60.0° |
| BR | C10 | C | H21 | 59.9° | 60.0° |
| C10 | C09 | C07 | H16 | 120.5° | 120.0° |
| C10 | C09 | C07 | H17 | 120.5° | 120.0° |
| C10 | C09 | C07 | N | 177.2° | 180.0° |
| C10 | C09 | C07 | C06 | 58.2° | 60.0° |
| C09 | C10 | C | C04 | 55.2° | 60.0° |
| C10 | C09 | H16 | H17 | 118.3° | 119.9° |
| C09 | C10 | C11 | H18 | 60.8° | 59.9° |
| C09 | C10 | C11 | H19 | 179.7° | 180.0° |
| C09 | C10 | C | H20 | 65.0° | 180.0° |
| C09 | C10 | C | H21 | 175.4° | 60.0° |
| C | C10 | C09 | C07 | 56.4° | 60.0° |
| C10 | C | C04 | C03 | 64.0° | 60.0° |
| C10 | C | C04 | H20 | 120.2° | 120.0° |
| C10 | C | C04 | H21 | 120.2° | 120.0° |
| C10 | C | C04 | C06 | 55.9° | 60.0° |
| C10 | C | C04 | C05 | 175.8° | 180.0° |
| C | C10 | C09 | H16 | 176.9° | 60.0° |
| C | C10 | C09 | H17 | 64.2° | 180.0° |
| C | C10 | C11 | H18 | 177.7° | 180.0° |
| C | C10 | C11 | H19 | 58.8° | 59.9° |
| C10 | C | H20 | H21 | 119.4° | 120.0° |
| C09 | C07 | N | C06 | 116.3° | 120.0° |
| C09 | C07 | C06 | C04 | 62.6° | 60.0° |
| C09 | C07 | C06 | H9 | 177.1° | 60.0° |
| C09 | C07 | C06 | H10 | 57.8° | 180.0° |
| C09 | C07 | N | H12 | 61.1° | 60.0° |
| C09 | C07 | N | H13 | 178.9° | 64.0° |
| C09 | C07 | C08 | H14 | 179.6° | 180.0° |
| C09 | C07 | C08 | H15 | 60.5° | 60.0° |
| C07 | C09 | H16 | H17 | 118.4° | 120.1° |
| N | C07 | C06 | C04 | 176.9° | 180.0° |
| N | C07 | C06 | H9 | 56.5° | 60.0° |
| N | C07 | C06 | H10 | 62.8° | 60.1° |
| C07 | N | H12 | H13 | 120.0° | 124.0° |
| N | C07 | C08 | H14 | 57.9° | 60.0° |
| N | C07 | C08 | H15 | 61.9° | 59.9° |
| N | C07 | C09 | H16 | 62.3° | 60.0° |
| N | C07 | C09 | H17 | 56.6° | 60.0° |
| C07 | C06 | C04 | C03 | 50.8° | 60.0° |
| C07 | C06 | C04 | C | 63.2° | 60.0° |
| C07 | C06 | C04 | H9 | 120.3° | 120.0° |
| C07 | C06 | C04 | H10 | 120.3° | 119.9° |
| C07 | C06 | C04 | C05 | 177.5° | 180.0° |
| C07 | C06 | H9 | H10 | 119.0° | 120.0° |
| C06 | C07 | N | H12 | 55.2° | 180.0° |
| C06 | C07 | N | H13 | 64.8° | 56.0° |
| C06 | C07 | C08 | H14 | 65.5° | 60.0° |
| C06 | C07 | C08 | H15 | 174.6° | 180.0° |
| C06 | C07 | C09 | H16 | 178.8° | 59.9° |
| C06 | C07 | C09 | H17 | 62.3° | 180.0° |
| C03 | C04 | C | C06 | 119.9° | 120.0° |
| C03 | C04 | C | C05 | 120.2° | 120.0° |
| C03 | C04 | C06 | C05 | 126.8° | 120.0° |
| C04 | C03 | H4 | H5 | 118.5° | 120.1° |
| C03 | C04 | C05 | H6 | 180.0° | 60.0° |
| C03 | C04 | C05 | H7 | 60.0° | 180.0° |
| C03 | C04 | C05 | H8 | 60.0° | 60.0° |
| C03 | C04 | C06 | H9 | 69.6° | 180.0° |
| C03 | C04 | C06 | H10 | 171.1° | 60.0° |
| C03 | C04 | C | H20 | 175.8° | 60.0° |
| C03 | C04 | C | H21 | 56.2° | 180.0° |
| C | C04 | C06 | C05 | 119.2° | 120.0° |
| C | C04 | C03 | H4 | 57.6° | 60.0° |
| C | C04 | C03 | H5 | 176.7° | 180.0° |
| C | C04 | C05 | H6 | 64.3° | NaN° |
| C | C04 | C05 | H7 | 55.7° | 60.0° |
| C | C04 | C05 | H8 | 175.7° | 60.0° |
| C | C04 | C06 | H9 | 176.4° | 60.0° |
| C | C04 | C06 | H10 | 57.1° | 179.9° |
| C04 | C | H20 | H21 | 119.4° | 120.0° |
| C06 | C04 | C03 | H4 | 172.4° | 180.0° |
| C06 | C04 | C03 | H5 | 68.5° | 60.0° |
| C06 | C04 | C05 | H6 | 52.5° | 60.0° |
| C06 | C04 | C05 | H7 | 172.5° | 60.0° |
| C06 | C04 | C05 | H8 | 67.5° | 180.0° |
| C04 | C06 | H9 | H10 | 119.0° | 120.0° |
| C06 | C04 | C | H20 | 64.3° | 180.0° |
| C06 | C04 | C | H21 | 176.2° | 60.0° |
| C05 | C04 | C03 | H4 | 61.3° | 60.0° |
| C05 | C04 | C03 | H5 | 57.8° | 60.0° |
| C04 | C05 | H6 | H7 | 120.0° | 120.0° |
| C04 | C05 | H6 | H8 | 120.0° | 120.0° |
| C04 | C05 | H7 | H8 | 120.0° | 120.0° |
| C05 | C04 | C06 | H9 | 57.2° | 60.0° |
| C05 | C04 | C06 | H10 | 62.1° | 60.0° |
| C05 | C04 | C | H20 | 55.6° | 60.0° |
| C05 | C04 | C | H21 | 64.0° | 60.0° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H6 | C05 | H7 | H8 | 120.0° | 120.0° |
