UL7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C | sing | 1.47Å | 1.52Å | |
| N | C04 | sing | 1.47Å | 1.52Å | |
| N | C10 | sing | 1.47Å | 1.52Å | |
| C | C07 | sing | 1.53Å | 1.52Å | |
| C01 | C02 | sing | 1.38Å | 1.40Å | Aromatic |
| C01 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C01 | CL | sing | 1.74Å | 1.72Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | C7 | doub | 1.39Å | 1.40Å | Aromatic |
| N1 | C2 | sing | 1.47Å | 1.51Å | |
| N1 | C03 | sing | 1.47Å | 1.50Å | |
| N1 | C16 | sing | 1.47Å | 1.52Å | |
| O1 | C7 | sing | 1.36Å | 1.38Å | |
| C02 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C8 | sing | 1.53Å | 1.51Å | |
| C04 | C05 | sing | 1.53Å | 1.52Å | |
| C4 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C4 | BR | sing | 1.89Å | 1.89Å | |
| C05 | C06 | sing | 1.53Å | 1.52Å | |
| C06 | O | sing | 1.43Å | 1.42Å | |
| C06 | C07 | sing | 1.53Å | 1.52Å | |
| C10 | C15 | sing | 1.53Å | 1.53Å | |
| C10 | C8 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C | HC1 | sing | 1.09Å | 1.10Å | |
| C | HC2 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C02 | H02 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H06 | sing | 1.09Å | 1.10Å | |
| O | H | sing | 0.97Å | 0.95Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | N | C04 | 113.4° | 111.2° |
| C | N | C10 | 112.6° | 111.0° |
| N | C | C07 | 108.5° | 109.5° |
| N | C | HC1 | 109.7° | 109.5° |
| N | C | HC2 | 109.7° | 109.4° |
| C04 | N | C10 | 115.1° | 111.0° |
| N | C04 | C05 | 110.5° | 109.5° |
| N | C04 | H041 | 109.2° | 109.5° |
| N | C04 | H042 | 109.2° | 109.5° |
| N | C10 | C15 | 112.2° | 109.5° |
| N | C10 | C8 | 111.4° | 109.6° |
| N | C10 | H10 | 107.8° | 109.5° |
| C | C07 | C06 | 112.8° | 109.3° |
| C07 | C | HC1 | 109.7° | 109.5° |
| C07 | C | HC2 | 109.7° | 109.4° |
| C | C07 | H071 | 108.6° | 109.4° |
| C | C07 | H072 | 108.6° | 109.5° |
| C02 | C01 | C3 | 119.3° | 120.1° |
| C02 | C01 | CL | 121.1° | 119.9° |
| C01 | C02 | C4 | 120.0° | 120.0° |
| C01 | C02 | H02 | 120.0° | 120.0° |
| C3 | C01 | CL | 119.6° | 119.9° |
| C01 | C3 | C1 | 120.7° | 120.1° |
| C01 | C3 | H3 | 119.6° | 120.0° |
| C2 | C1 | C3 | 120.1° | 120.0° |
| C2 | C1 | C7 | 120.2° | 120.0° |
| C1 | C2 | N1 | 113.7° | 109.5° |
| C1 | C2 | H21C | 108.4° | 109.5° |
| C1 | C2 | H22C | 108.4° | 109.5° |
| C3 | C1 | C7 | 119.7° | 120.0° |
| C1 | C3 | H3 | 119.7° | 120.0° |
| C1 | C7 | O1 | 118.7° | 120.1° |
| C1 | C7 | C4 | 119.5° | 119.9° |
| C2 | N1 | C03 | 107.8° | 111.0° |
| C2 | N1 | C16 | 113.3° | 111.1° |
| N1 | C2 | H21C | 108.4° | 109.5° |
| N1 | C2 | H22C | 108.4° | 109.4° |
| C03 | N1 | C16 | 115.1° | 111.2° |
| N1 | C03 | C8 | 110.0° | 109.5° |
| N1 | C03 | H031 | 109.3° | 109.5° |
| N1 | C03 | H032 | 109.3° | 109.4° |
| N1 | C16 | C15 | 109.4° | 109.5° |
| N1 | C16 | H161 | 109.5° | 109.4° |
| N1 | C16 | H162 | 109.5° | 109.4° |
| O1 | C7 | C4 | 121.8° | 120.0° |
| C7 | O1 | H1 | 109.5° | 113.9° |
| C02 | C4 | C7 | 120.8° | 119.9° |
| C02 | C4 | BR | 118.5° | 120.1° |
| C4 | C02 | H02 | 120.0° | 120.0° |
| C03 | C8 | C10 | 106.7° | 109.3° |
| C8 | C03 | H031 | 109.3° | 109.5° |
| C8 | C03 | H032 | 109.3° | 109.4° |
| C03 | C8 | H81C | 110.1° | 109.5° |
| C03 | C8 | H82C | 110.2° | 109.5° |
| C04 | C05 | C06 | 110.2° | 109.3° |
| C05 | C04 | H041 | 109.2° | 109.5° |
| C05 | C04 | H042 | 109.2° | 109.5° |
| C04 | C05 | H051 | 109.3° | 109.5° |
| C04 | C05 | H052 | 109.3° | 109.5° |
| C7 | C4 | BR | 120.7° | 120.0° |
| C05 | C06 | O | 108.8° | 109.5° |
| C05 | C06 | C07 | 110.8° | 109.2° |
| C06 | C05 | H051 | 109.3° | 109.5° |
| C06 | C05 | H052 | 109.3° | 109.5° |
| C05 | C06 | H06 | 108.9° | 109.5° |
| O | C06 | C07 | 108.9° | 109.5° |
| O | C06 | H06 | 110.4° | 109.5° |
| C06 | O | H | 109.5° | 114.0° |
| C06 | C07 | H071 | 108.6° | 109.5° |
| C06 | C07 | H072 | 108.6° | 109.6° |
| C07 | C06 | H06 | 108.9° | 109.5° |
| C15 | C10 | C8 | 109.8° | 109.1° |
| C10 | C15 | C16 | 109.4° | 109.3° |
| C15 | C10 | H10 | 107.7° | 109.5° |
| C10 | C15 | H151 | 109.5° | 109.5° |
| C10 | C15 | H152 | 109.5° | 109.5° |
| C8 | C10 | H10 | 107.8° | 109.5° |
| C10 | C8 | H81C | 110.2° | 109.5° |
| C10 | C8 | H82C | 110.2° | 109.5° |
| C15 | C16 | H161 | 109.5° | 109.5° |
| C15 | C16 | H162 | 109.5° | 109.4° |
| C16 | C15 | H151 | 109.5° | 109.5° |
| C16 | C15 | H152 | 109.5° | 109.5° |
| HC1 | C | HC2 | 109.4° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.4° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H21C | C2 | H22C | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.4° | 109.5° |
| H161 | C16 | H162 | 109.4° | 109.5° |
| H81C | C8 | H82C | 109.5° | 109.5° |
| H051 | C05 | H052 | 109.4° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | N | C04 | C10 | 131.6° | 124.1° |
| N | C | C07 | HC1 | 119.9° | 120.1° |
| N | C | C07 | HC2 | 119.9° | 119.9° |
| C | N | C04 | C05 | 2.8° | 61.7° |
| N | C | C07 | C06 | 56.4° | 59.1° |
| C | N | C10 | C15 | 56.7° | 180.0° |
| C | N | C10 | C8 | 179.8° | 60.3° |
| N | C | HC1 | HC2 | 120.4° | 120.0° |
| C | N | C04 | H041 | 123.0° | 58.3° |
| C | N | C04 | H042 | 117.3° | 178.2° |
| C | N | C10 | H10 | 61.8° | 59.9° |
| N | C | C07 | H071 | 64.1° | 60.8° |
| N | C | C07 | H072 | 176.9° | 179.1° |
| C04 | N | C | C07 | 53.1° | 61.7° |
| N | C04 | C05 | H041 | 120.2° | 120.0° |
| N | C04 | C05 | H042 | 120.1° | 120.1° |
| N | C04 | C05 | C06 | 57.8° | 59.2° |
| C04 | N | C10 | C15 | 75.3° | 55.8° |
| C04 | N | C10 | C8 | 48.2° | 175.5° |
| C04 | N | C | HC1 | 173.0° | 178.2° |
| C04 | N | C | HC2 | 66.8° | 58.2° |
| N | C04 | H041 | H042 | 119.5° | 120.0° |
| C04 | N | C10 | H10 | 166.3° | 64.3° |
| N | C04 | C05 | H051 | 62.3° | 179.1° |
| N | C04 | C05 | H052 | 178.0° | 60.8° |
| C10 | N | C | C07 | 174.0° | 174.2° |
| N | C10 | C8 | C03 | 170.0° | 177.5° |
| C10 | N | C04 | C05 | 128.8° | 174.2° |
| N | C10 | C15 | C8 | 124.4° | 119.9° |
| N | C10 | C15 | H10 | 118.5° | 120.2° |
| N | C10 | C8 | H10 | 118.1° | 120.2° |
| N | C10 | C15 | C16 | 172.6° | 177.6° |
| C10 | N | C | HC1 | 54.2° | 54.1° |
| C10 | N | C | HC2 | 66.1° | 65.9° |
| C10 | N | C04 | H041 | 8.6° | 65.8° |
| C10 | N | C04 | H042 | 111.1° | 54.1° |
| N | C10 | C8 | H81C | 70.4° | 57.6° |
| N | C10 | C8 | H82C | 50.5° | 62.5° |
| N | C10 | C15 | H151 | 67.4° | 57.6° |
| N | C10 | C15 | H152 | 52.6° | 62.5° |
| C | C07 | C06 | C05 | 3.1° | 57.6° |
| C | C07 | C06 | O | 116.5° | 62.3° |
| C | C07 | C06 | H071 | 120.5° | 119.9° |
| C | C07 | C06 | H072 | 120.5° | 120.0° |
| C07 | C | HC1 | HC2 | 120.5° | 119.9° |
| C | C07 | H071 | H072 | 118.5° | 120.0° |
| C | C07 | C06 | H06 | 123.0° | 177.6° |
| C02 | C01 | C3 | CL | 179.7° | 179.8° |
| C02 | C01 | C3 | C1 | 0.3° | 0.0° |
| C01 | C02 | C4 | H02 | 180.0° | 180.0° |
| C01 | C02 | C4 | C7 | 0.3° | 0.0° |
| C01 | C02 | C4 | BR | 179.7° | 179.9° |
| C02 | C01 | C3 | H3 | 179.8° | 180.0° |
| C01 | C3 | C1 | C2 | 179.4° | 180.0° |
| C01 | C3 | C1 | H3 | 180.0° | 179.9° |
| C01 | C3 | C1 | C7 | 0.2° | 0.1° |
| C3 | C01 | C02 | C4 | 0.3° | 0.0° |
| C3 | C01 | C02 | H02 | 179.7° | 180.0° |
| CL | C01 | C3 | C1 | 179.9° | 179.7° |
| CL | C01 | C02 | C4 | 180.0° | 179.8° |
| CL | C01 | C02 | H02 | 0.0° | 0.3° |
| CL | C01 | C3 | H3 | 0.1° | 0.2° |
| C2 | C1 | C3 | C7 | 179.1° | 180.0° |
| C1 | C2 | N1 | H21C | 120.6° | 120.0° |
| C1 | C2 | N1 | H22C | 120.6° | 120.0° |
| C1 | C2 | N1 | C03 | 78.5° | 170.0° |
| C1 | C2 | N1 | C16 | 152.9° | 65.8° |
| C2 | C1 | C7 | O1 | 0.6° | 0.0° |
| C2 | C1 | C7 | C4 | 179.4° | 180.0° |
| C2 | C1 | C3 | H3 | 0.6° | 0.0° |
| C1 | C2 | H21C | H22C | 118.1° | 120.0° |
| C3 | C1 | C2 | N1 | 147.2° | 100.1° |
| C3 | C1 | C7 | O1 | 179.8° | 180.0° |
| C3 | C1 | C7 | C4 | 0.3° | 0.1° |
| C3 | C1 | C2 | H21C | 26.6° | 20.0° |
| C3 | C1 | C2 | H22C | 92.2° | 140.0° |
| C7 | C1 | C2 | N1 | 33.7° | 80.0° |
| C1 | C7 | O1 | C4 | 180.0° | 180.0° |
| C1 | C7 | C4 | C02 | 0.3° | 0.0° |
| C1 | C7 | C4 | BR | 179.6° | 180.0° |
| C7 | C1 | C3 | H3 | 179.8° | 180.0° |
| C7 | C1 | C2 | H21C | 154.3° | 160.0° |
| C7 | C1 | C2 | H22C | 87.0° | 40.0° |
| C1 | C7 | O1 | H1 | 180.0° | 90.0° |
| C2 | N1 | C03 | C16 | 127.6° | 124.2° |
| C2 | N1 | C03 | C8 | 176.9° | 174.1° |
| C2 | N1 | C16 | C15 | 176.3° | 174.1° |
| N1 | C2 | H21C | H22C | 118.1° | 120.0° |
| C2 | N1 | C03 | H031 | 56.8° | 54.1° |
| C2 | N1 | C03 | H032 | 63.0° | 65.9° |
| C2 | N1 | C16 | H161 | 56.3° | 65.8° |
| C2 | N1 | C16 | H162 | 63.7° | 54.2° |
| N1 | C03 | C8 | H031 | 120.1° | 120.0° |
| N1 | C03 | C8 | H032 | 120.1° | 120.0° |
| N1 | C03 | C8 | C10 | 59.8° | 59.1° |
| C03 | N1 | C16 | C15 | 51.6° | 61.7° |
| C03 | N1 | C2 | H21C | 42.1° | 49.9° |
| C03 | N1 | C2 | H22C | 160.9° | 70.1° |
| N1 | C03 | H031 | H032 | 119.7° | 120.0° |
| C03 | N1 | C16 | H161 | 68.4° | 58.3° |
| C03 | N1 | C16 | H162 | 171.6° | 178.3° |
| N1 | C03 | C8 | H81C | 59.8° | 60.8° |
| N1 | C03 | C8 | H82C | 179.3° | 179.1° |
| C16 | N1 | C03 | C8 | 55.5° | 61.7° |
| N1 | C16 | C15 | C10 | 53.6° | 59.2° |
| N1 | C16 | C15 | H161 | 120.0° | 120.0° |
| N1 | C16 | C15 | H162 | 120.0° | 120.0° |
| C16 | N1 | C2 | H21C | 86.5° | 174.2° |
| C16 | N1 | C2 | H22C | 32.3° | 54.2° |
| C16 | N1 | C03 | H031 | 175.6° | 178.3° |
| C16 | N1 | C03 | H032 | 64.6° | 58.3° |
| N1 | C16 | H161 | H162 | 120.0° | 120.0° |
| N1 | C16 | C15 | H151 | 66.3° | 60.8° |
| N1 | C16 | C15 | H152 | 173.6° | 179.1° |
| O1 | C7 | C4 | C02 | 179.7° | 180.0° |
| O1 | C7 | C4 | BR | 0.4° | 0.1° |
| C02 | C4 | C7 | BR | 179.3° | 179.9° |
| C03 | C8 | C10 | C15 | 65.1° | 57.6° |
| C03 | C8 | C10 | H81C | 119.5° | 119.9° |
| C03 | C8 | C10 | H82C | 119.6° | 120.0° |
| C03 | C8 | C10 | H10 | 52.0° | 62.3° |
| C8 | C03 | H031 | H032 | 119.7° | 120.0° |
| C03 | C8 | H81C | H82C | 121.3° | 120.1° |
| C04 | C05 | C06 | H051 | 120.1° | 119.9° |
| C04 | C05 | C06 | H052 | 120.1° | 119.9° |
| C04 | C05 | C06 | O | 174.2° | 62.3° |
| C04 | C05 | C06 | C07 | 54.5° | 57.6° |
| C05 | C04 | H041 | H042 | 119.5° | 120.0° |
| C04 | C05 | H051 | H052 | 119.6° | 120.1° |
| C04 | C05 | C06 | H06 | 65.4° | 177.6° |
| C7 | C4 | C02 | H02 | 179.6° | 180.0° |
| C4 | C7 | O1 | H1 | 0.0° | 90.0° |
| BR | C4 | C02 | H02 | 0.3° | 0.1° |
| C05 | C06 | O | C07 | 120.9° | 119.7° |
| C05 | C06 | O | H06 | 119.5° | 120.2° |
| C05 | C06 | C07 | H06 | 119.8° | 120.0° |
| C06 | C05 | C04 | H041 | 178.0° | 60.9° |
| C06 | C05 | C04 | H042 | 62.3° | 179.2° |
| C05 | C06 | C07 | H071 | 117.4° | 62.3° |
| C05 | C06 | C07 | H072 | 123.6° | 177.6° |
| C06 | C05 | H051 | H052 | 119.7° | 120.1° |
| C05 | C06 | O | H | 180.0° | 180.0° |
| O | C06 | C07 | H06 | 120.5° | 120.1° |
| O | C06 | C07 | H071 | 123.0° | 177.8° |
| O | C06 | C07 | H072 | 4.0° | 57.7° |
| O | C06 | C05 | H051 | 54.1° | 57.7° |
| O | C06 | C05 | H052 | 65.7° | 177.8° |
| C06 | C07 | C | HC1 | 176.3° | 179.2° |
| C06 | C07 | C | HC2 | 63.5° | 60.8° |
| C06 | C07 | H071 | H072 | 118.5° | 120.2° |
| C07 | C06 | C05 | H051 | 65.7° | 177.6° |
| C07 | C06 | C05 | H052 | 174.6° | 62.3° |
| C07 | C06 | O | H | 59.1° | 60.3° |
| C15 | C10 | C8 | H10 | 117.1° | 119.9° |
| C10 | C15 | C16 | H151 | 120.0° | 120.0° |
| C10 | C15 | C16 | H152 | 120.0° | 119.9° |
| C10 | C15 | C16 | H161 | 66.4° | 60.8° |
| C10 | C15 | C16 | H162 | 173.6° | 179.2° |
| C15 | C10 | C8 | H81C | 54.4° | 62.3° |
| C15 | C10 | C8 | H82C | 175.3° | 177.6° |
| C10 | C15 | H151 | H152 | 120.0° | 120.1° |
| C8 | C10 | C15 | C16 | 63.0° | 57.6° |
| C10 | C8 | C03 | H031 | 179.9° | 179.2° |
| C10 | C8 | C03 | H032 | 60.3° | 60.9° |
| C10 | C8 | H81C | H82C | 121.3° | 120.1° |
| C8 | C10 | C15 | H151 | 57.0° | 62.3° |
| C8 | C10 | C15 | H152 | 177.0° | 177.6° |
| C16 | C15 | C10 | H10 | 54.1° | 62.3° |
| C15 | C16 | H161 | H162 | 120.0° | 120.0° |
| C16 | C15 | H151 | H152 | 120.1° | 120.1° |
| HC1 | C | C07 | H071 | 55.8° | 59.3° |
| HC1 | C | C07 | H072 | 63.2° | 60.8° |
| HC2 | C | C07 | H071 | 176.1° | 179.3° |
| HC2 | C | C07 | H072 | 57.0° | 59.2° |
| H041 | C04 | C05 | H051 | 57.8° | 59.1° |
| H041 | C04 | C05 | H052 | 61.9° | 179.2° |
| H042 | C04 | C05 | H051 | 177.5° | 60.8° |
| H042 | C04 | C05 | H052 | 57.8° | 59.3° |
| H10 | C10 | C8 | H81C | 171.5° | 177.8° |
| H10 | C10 | C8 | H82C | 67.6° | 57.7° |
| H10 | C10 | C15 | H151 | 174.1° | 177.7° |
| H10 | C10 | C15 | H152 | 65.9° | 57.7° |
| H071 | C07 | C06 | H06 | 2.5° | 57.7° |
| H072 | C07 | C06 | H06 | 116.6° | 62.5° |
| H031 | C03 | C8 | H81C | 60.3° | 59.2° |
| H031 | C03 | C8 | H82C | 60.6° | 60.9° |
| H032 | C03 | C8 | H81C | 179.9° | 179.2° |
| H032 | C03 | C8 | H82C | 59.2° | 59.1° |
| H161 | C16 | C15 | H151 | 173.7° | 179.2° |
| H161 | C16 | C15 | H152 | 53.6° | 59.1° |
| H162 | C16 | C15 | H151 | 53.7° | 59.2° |
| H162 | C16 | C15 | H152 | 66.4° | 60.9° |
| H051 | C05 | C06 | H06 | 174.5° | 62.5° |
| H052 | C05 | C06 | H06 | 54.8° | 57.7° |
| H06 | C06 | O | H | 60.5° | 59.9° |
