7GR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C49 | C51 | doub | 1.38Å | 1.39Å | Aromatic |
| C49 | C47 | sing | 1.38Å | 1.39Å | Aromatic |
| C51 | C42 | sing | 1.38Å | 1.38Å | Aromatic |
| C47 | C45 | doub | 1.38Å | 1.39Å | Aromatic |
| C42 | C39 | sing | 1.51Å | 1.55Å | |
| C42 | C43 | doub | 1.38Å | 1.41Å | Aromatic |
| C45 | C43 | sing | 1.38Å | 1.40Å | Aromatic |
| C39 | O38 | sing | 1.45Å | 1.44Å | |
| O38 | C36 | sing | 1.35Å | 1.40Å | |
| C36 | O37 | doub | 1.21Å | 1.20Å | |
| C36 | N34 | sing | 1.35Å | 1.41Å | |
| N34 | C31 | sing | 1.47Å | 1.45Å | |
| C31 | P28 | sing | 1.82Å | 1.82Å | |
| O30 | P28 | doub | 1.48Å | 1.53Å | |
| O29 | P28 | sing | 1.61Å | 1.51Å | |
| P28 | N1 | sing | 1.68Å | 1.66Å | |
| O11 | C10 | doub | 1.21Å | 1.26Å | |
| O12 | C10 | sing | 1.34Å | 1.25Å | |
| C10 | C9 | sing | 1.51Å | 1.51Å | |
| N1 | C2 | sing | 1.47Å | 1.45Å | |
| C9 | N7 | sing | 1.47Å | 1.45Å | |
| C9 | C14 | sing | 1.53Å | 1.54Å | |
| N7 | C5 | sing | 1.35Å | 1.38Å | |
| C5 | C2 | sing | 1.51Å | 1.51Å | |
| C5 | O6 | doub | 1.21Å | 1.22Å | |
| C14 | C17 | sing | 1.53Å | 1.52Å | |
| C17 | C19 | sing | 1.53Å | 1.55Å | |
| C17 | C23 | sing | 1.53Å | 1.53Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C9 | H3 | sing | 1.09Å | 1.10Å | |
| C14 | H4 | sing | 1.09Å | 1.10Å | |
| C14 | H5 | sing | 1.09Å | 1.10Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C31 | H9 | sing | 1.09Å | 1.10Å | |
| C31 | H10 | sing | 1.09Å | 1.10Å | |
| N1 | H11 | sing | 1.01Å | 1.00Å | |
| N7 | H12 | sing | 0.97Å | 1.00Å | |
| O12 | H13 | sing | 0.97Å | 0.95Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| O29 | H18 | sing | 0.97Å | 0.95Å | |
| C39 | H19 | sing | 1.09Å | 1.10Å | |
| C39 | H20 | sing | 1.09Å | 1.10Å | |
| C43 | H21 | sing | 1.08Å | 1.08Å | |
| C45 | H22 | sing | 1.08Å | 1.08Å | |
| C47 | H23 | sing | 1.08Å | 1.08Å | |
| C49 | H24 | sing | 1.08Å | 1.08Å | |
| C51 | H25 | sing | 1.08Å | 1.08Å | |
| N34 | H26 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C51 | C49 | C47 | 121.4° | 120.0° |
| C49 | C51 | C42 | 121.1° | 120.0° |
| C51 | C49 | H24 | 119.3° | 120.0° |
| C49 | C51 | H25 | 119.5° | 120.0° |
| C49 | C47 | C45 | 117.7° | 120.0° |
| C49 | C47 | H23 | 121.2° | 119.9° |
| C47 | C49 | H24 | 119.3° | 120.0° |
| C51 | C42 | C39 | 119.2° | 120.0° |
| C51 | C42 | C43 | 118.3° | 120.0° |
| C42 | C51 | H25 | 119.4° | 120.0° |
| C47 | C45 | C43 | 121.5° | 120.0° |
| C47 | C45 | H22 | 119.2° | 120.0° |
| C45 | C47 | H23 | 121.2° | 120.0° |
| C39 | C42 | C43 | 122.4° | 120.0° |
| C42 | C39 | O38 | 100.4° | 109.4° |
| C42 | C39 | H19 | 111.7° | 109.4° |
| C42 | C39 | H20 | 111.7° | 109.5° |
| C42 | C43 | C45 | 119.9° | 120.0° |
| C42 | C43 | H21 | 120.1° | 120.0° |
| C45 | C43 | H21 | 120.1° | 120.0° |
| C43 | C45 | H22 | 119.3° | 120.0° |
| C39 | O38 | C36 | 113.7° | 117.0° |
| O38 | C39 | H19 | 111.7° | 109.5° |
| O38 | C39 | H20 | 111.7° | 109.5° |
| O38 | C36 | O37 | 119.9° | 120.0° |
| O38 | C36 | N34 | 116.7° | 120.0° |
| O37 | C36 | N34 | 123.4° | 120.0° |
| C36 | N34 | C31 | 118.4° | 120.0° |
| C36 | N34 | H26 | 120.8° | 120.0° |
| N34 | C31 | P28 | 110.7° | 109.5° |
| N34 | C31 | H9 | 109.2° | 109.4° |
| N34 | C31 | H10 | 109.2° | 109.5° |
| C31 | N34 | H26 | 120.8° | 120.0° |
| C31 | P28 | O30 | 111.3° | 109.5° |
| C31 | P28 | O29 | 110.5° | 109.5° |
| C31 | P28 | N1 | 102.6° | 109.5° |
| P28 | C31 | H9 | 109.2° | 109.5° |
| P28 | C31 | H10 | 109.2° | 109.5° |
| O30 | P28 | O29 | 111.0° | 109.5° |
| O30 | P28 | N1 | 108.5° | 109.5° |
| O29 | P28 | N1 | 112.8° | 109.5° |
| P28 | O29 | H18 | 109.5° | 114.0° |
| P28 | N1 | C2 | 121.4° | 111.0° |
| P28 | N1 | H11 | 106.4° | 111.0° |
| O11 | C10 | O12 | 121.4° | 120.0° |
| O11 | C10 | C9 | 121.5° | 120.0° |
| O12 | C10 | C9 | 117.1° | 120.0° |
| C10 | O12 | H13 | 109.5° | 117.0° |
| C10 | C9 | N7 | 108.4° | 109.5° |
| C10 | C9 | C14 | 114.5° | 109.5° |
| C10 | C9 | H3 | 106.6° | 109.5° |
| N1 | C2 | C5 | 114.7° | 109.5° |
| N1 | C2 | H1 | 108.2° | 109.5° |
| N1 | C2 | H2 | 108.2° | 109.4° |
| C2 | N1 | H11 | 106.4° | 110.9° |
| N7 | C9 | C14 | 113.5° | 109.4° |
| C9 | N7 | C5 | 121.1° | 120.0° |
| N7 | C9 | H3 | 107.2° | 109.5° |
| C9 | N7 | H12 | 119.5° | 120.0° |
| C9 | C14 | C17 | 114.1° | 109.5° |
| C14 | C9 | H3 | 106.2° | 109.5° |
| C9 | C14 | H4 | 108.3° | 109.5° |
| C9 | C14 | H5 | 108.3° | 109.4° |
| N7 | C5 | C2 | 115.7° | 120.0° |
| N7 | C5 | O6 | 121.9° | 120.1° |
| C5 | N7 | H12 | 119.4° | 120.0° |
| C2 | C5 | O6 | 122.3° | 120.0° |
| C5 | C2 | H1 | 108.1° | 109.5° |
| C5 | C2 | H2 | 108.2° | 109.5° |
| C14 | C17 | C19 | 109.8° | 109.5° |
| C14 | C17 | C23 | 109.5° | 109.5° |
| C17 | C14 | H4 | 108.3° | 109.5° |
| C17 | C14 | H5 | 108.3° | 109.5° |
| C14 | C17 | H14 | 110.3° | 109.4° |
| C19 | C17 | C23 | 107.0° | 109.4° |
| C17 | C19 | H6 | 109.5° | 109.5° |
| C17 | C19 | H7 | 109.5° | 109.4° |
| C17 | C19 | H8 | 109.5° | 109.5° |
| C19 | C17 | H14 | 110.0° | 109.5° |
| C23 | C17 | H14 | 110.2° | 109.5° |
| C17 | C23 | H15 | 109.5° | 109.5° |
| C17 | C23 | H16 | 109.5° | 109.5° |
| C17 | C23 | H17 | 109.5° | 109.5° |
| H1 | C2 | H2 | 109.4° | 109.5° |
| H4 | C14 | H5 | 109.5° | 109.5° |
| H6 | C19 | H7 | 109.5° | 109.4° |
| H6 | C19 | H8 | 109.5° | 109.5° |
| H7 | C19 | H8 | 109.5° | 109.5° |
| H9 | C31 | H10 | 109.4° | 109.4° |
| H15 | C23 | H16 | 109.5° | 109.5° |
| H15 | C23 | H17 | 109.5° | 109.4° |
| H16 | C23 | H17 | 109.5° | 109.5° |
| H19 | C39 | H20 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C51 | C49 | C47 | H24 | 180.0° | 179.4° |
| C49 | C51 | C42 | H25 | 180.0° | 179.4° |
| C51 | C49 | C47 | C45 | 0.0° | 0.3° |
| C49 | C51 | C42 | C39 | 179.7° | 179.7° |
| C49 | C51 | C42 | C43 | 2.3° | 0.6° |
| C51 | C49 | C47 | H23 | 180.0° | 179.7° |
| C47 | C49 | C51 | C42 | 2.1° | 0.6° |
| C49 | C47 | C45 | H23 | 180.0° | 179.9° |
| C49 | C47 | C45 | C43 | 1.8° | 0.0° |
| C49 | C47 | C45 | H22 | 178.2° | 180.0° |
| C47 | C49 | C51 | H25 | 177.9° | 180.0° |
| C51 | C42 | C39 | C43 | 177.3° | 179.7° |
| C51 | C42 | C43 | C45 | 0.5° | 0.3° |
| C51 | C42 | C39 | O38 | 94.5° | 90.3° |
| C51 | C42 | C39 | H19 | 147.0° | 29.7° |
| C51 | C42 | C39 | H20 | 24.0° | 149.7° |
| C51 | C42 | C43 | H21 | 179.5° | 179.7° |
| C42 | C51 | C49 | H24 | 177.9° | 180.0° |
| C47 | C45 | C43 | C42 | 1.5° | 0.0° |
| C47 | C45 | C43 | H22 | 180.0° | 180.0° |
| C47 | C45 | C43 | H21 | 178.5° | 180.0° |
| C45 | C47 | C49 | H24 | 180.0° | 179.7° |
| C39 | C42 | C43 | C45 | 177.8° | 180.0° |
| C42 | C39 | O38 | H19 | 118.5° | 120.0° |
| C42 | C39 | O38 | H20 | 118.5° | 120.0° |
| C42 | C39 | O38 | C36 | 136.5° | 180.0° |
| C42 | C39 | H19 | H20 | 124.2° | 120.0° |
| C39 | C42 | C43 | H21 | 2.2° | 0.0° |
| C39 | C42 | C51 | H25 | 0.3° | 0.3° |
| C42 | C43 | C45 | H21 | 180.0° | 180.0° |
| C43 | C42 | C39 | O38 | 88.2° | 90.0° |
| C43 | C42 | C39 | H19 | 30.3° | 150.0° |
| C43 | C42 | C39 | H20 | 153.3° | 30.0° |
| C42 | C43 | C45 | H22 | 178.5° | 180.0° |
| C43 | C42 | C51 | H25 | 177.7° | 180.0° |
| C43 | C45 | C47 | H23 | 178.2° | 180.0° |
| C39 | O38 | C36 | O37 | 30.4° | 0.0° |
| C39 | O38 | C36 | N34 | 149.2° | 180.0° |
| O38 | C39 | H19 | H20 | 124.2° | 120.1° |
| O38 | C36 | O37 | N34 | 179.5° | 180.0° |
| O38 | C36 | N34 | C31 | 170.1° | 180.0° |
| C36 | O38 | C39 | H19 | 18.0° | 60.0° |
| C36 | O38 | C39 | H20 | 105.0° | 60.0° |
| O38 | C36 | N34 | H26 | 9.9° | 0.1° |
| O37 | C36 | N34 | C31 | 10.4° | 0.1° |
| O37 | C36 | N34 | H26 | 169.6° | 180.0° |
| C36 | N34 | C31 | H26 | 180.0° | 179.9° |
| C36 | N34 | C31 | P28 | 147.0° | 94.9° |
| C36 | N34 | C31 | H9 | 92.8° | 25.1° |
| C36 | N34 | C31 | H10 | 26.8° | 145.0° |
| N34 | C31 | P28 | H9 | 120.2° | 120.0° |
| N34 | C31 | P28 | H10 | 120.2° | 120.0° |
| N34 | C31 | P28 | O30 | 90.8° | 60.0° |
| N34 | C31 | P28 | O29 | 32.9° | 60.0° |
| N34 | C31 | P28 | N1 | 153.3° | 180.0° |
| N34 | C31 | H9 | H10 | 119.4° | 119.9° |
| C31 | P28 | O30 | O29 | 123.5° | 120.0° |
| C31 | P28 | O30 | N1 | 112.1° | 120.0° |
| C31 | P28 | O29 | N1 | 114.1° | 120.0° |
| C31 | P28 | N1 | C2 | 136.2° | 180.0° |
| P28 | C31 | H9 | H10 | 119.4° | 120.0° |
| C31 | P28 | N1 | H11 | 102.1° | 56.1° |
| C31 | P28 | O29 | H18 | 123.9° | 60.0° |
| P28 | C31 | N34 | H26 | 33.0° | 84.9° |
| O30 | P28 | O29 | N1 | 122.0° | 120.0° |
| O30 | P28 | N1 | C2 | 18.4° | 60.0° |
| O30 | P28 | C31 | H9 | 149.0° | 60.0° |
| O30 | P28 | C31 | H10 | 29.3° | 180.0° |
| O30 | P28 | N1 | H11 | 140.1° | 176.1° |
| O30 | P28 | O29 | H18 | 0.0° | 180.0° |
| O29 | P28 | N1 | C2 | 104.9° | 60.0° |
| O29 | P28 | C31 | H9 | 87.3° | 180.0° |
| O29 | P28 | C31 | H10 | 153.1° | 60.0° |
| O29 | P28 | N1 | H11 | 16.8° | 63.9° |
| P28 | N1 | C2 | H11 | 121.6° | 123.9° |
| P28 | N1 | C2 | C5 | 83.3° | 135.0° |
| P28 | N1 | C2 | H1 | 37.4° | 105.0° |
| P28 | N1 | C2 | H2 | 155.9° | 15.0° |
| N1 | P28 | C31 | H9 | 33.1° | 60.0° |
| N1 | P28 | C31 | H10 | 86.5° | 60.0° |
| N1 | P28 | O29 | H18 | 122.0° | 60.0° |
| O11 | C10 | O12 | C9 | 177.2° | 180.0° |
| O11 | C10 | C9 | N7 | 4.3° | 0.0° |
| O11 | C10 | C9 | C14 | 123.5° | 120.0° |
| O11 | C10 | C9 | H3 | 119.5° | 120.0° |
| O11 | C10 | O12 | H13 | 0.0° | 0.0° |
| O12 | C10 | C9 | N7 | 172.9° | 180.0° |
| O12 | C10 | C9 | C14 | 59.3° | 60.0° |
| O12 | C10 | C9 | H3 | 57.7° | 60.0° |
| C10 | C9 | N7 | C14 | 128.3° | 120.0° |
| C10 | C9 | N7 | H3 | 114.7° | 120.0° |
| C10 | C9 | C14 | H3 | 117.3° | 120.1° |
| C10 | C9 | N7 | C5 | 150.2° | 85.0° |
| C10 | C9 | C14 | C17 | 64.7° | 176.7° |
| C10 | C9 | C14 | H4 | 56.0° | 63.3° |
| C10 | C9 | C14 | H5 | 174.7° | 56.7° |
| C10 | C9 | N7 | H12 | 29.8° | 95.0° |
| C9 | C10 | O12 | H13 | 177.2° | 180.0° |
| N1 | C2 | C5 | N7 | 24.4° | 180.0° |
| N1 | C2 | C5 | H1 | 120.8° | 120.0° |
| N1 | C2 | C5 | H2 | 120.8° | 120.0° |
| N1 | C2 | C5 | O6 | 158.5° | 0.0° |
| N1 | C2 | H1 | H2 | 117.6° | 120.0° |
| N7 | C9 | C14 | H3 | 117.6° | 120.0° |
| C9 | N7 | C5 | H12 | 180.0° | 180.0° |
| C9 | N7 | C5 | C2 | 179.6° | 180.0° |
| C9 | N7 | C5 | O6 | 3.3° | 0.0° |
| N7 | C9 | C14 | C17 | 60.5° | 63.4° |
| N7 | C9 | C14 | H4 | 178.8° | 56.6° |
| N7 | C9 | C14 | H5 | 60.2° | 176.6° |
| C14 | C9 | N7 | C5 | 81.4° | 155.0° |
| C9 | C14 | C17 | H4 | 120.7° | 120.1° |
| C9 | C14 | C17 | H5 | 120.7° | 119.9° |
| C9 | C14 | C17 | C19 | 87.1° | 174.2° |
| C9 | C14 | C17 | C23 | 155.7° | 65.8° |
| C9 | C14 | H4 | H5 | 117.9° | 120.0° |
| C14 | C9 | N7 | H12 | 98.6° | 25.0° |
| C9 | C14 | C17 | H14 | 34.3° | 54.2° |
| N7 | C5 | C2 | O6 | 177.1° | 180.0° |
| N7 | C5 | C2 | H1 | 145.2° | 60.0° |
| N7 | C5 | C2 | H2 | 96.4° | 60.0° |
| C5 | N7 | C9 | H3 | 35.6° | 35.0° |
| C5 | C2 | H1 | H2 | 117.6° | 120.1° |
| C5 | C2 | N1 | H11 | 155.0° | 11.1° |
| C2 | C5 | N7 | H12 | 0.4° | 0.0° |
| O6 | C5 | C2 | H1 | 37.7° | 120.0° |
| O6 | C5 | C2 | H2 | 80.7° | 120.0° |
| O6 | C5 | N7 | H12 | 176.7° | 180.0° |
| C14 | C17 | C19 | C23 | 118.8° | 120.0° |
| C14 | C17 | C19 | H14 | 121.6° | 120.0° |
| C14 | C17 | C23 | H14 | 121.5° | 120.0° |
| C17 | C14 | C9 | H3 | 178.1° | 56.6° |
| C17 | C14 | H4 | H5 | 117.9° | 120.0° |
| C14 | C17 | C19 | H6 | 180.0° | 177.3° |
| C14 | C17 | C19 | H7 | 60.0° | 62.8° |
| C14 | C17 | C19 | H8 | 60.0° | 57.2° |
| C14 | C17 | C23 | H15 | 180.0° | 60.0° |
| C14 | C17 | C23 | H16 | 60.0° | 180.0° |
| C14 | C17 | C23 | H17 | 60.0° | 60.0° |
| C19 | C17 | C23 | H14 | 119.5° | 120.1° |
| C19 | C17 | C14 | H4 | 152.2° | 54.2° |
| C19 | C17 | C14 | H5 | 33.6° | 65.8° |
| C17 | C19 | H6 | H7 | 120.0° | 119.9° |
| C17 | C19 | H6 | H8 | 120.0° | 120.1° |
| C17 | C19 | H7 | H8 | 120.0° | 120.0° |
| C19 | C17 | C23 | H15 | 61.0° | 180.0° |
| C19 | C17 | C23 | H16 | 179.0° | 60.0° |
| C19 | C17 | C23 | H17 | 59.0° | 60.0° |
| C23 | C17 | C14 | H4 | 35.0° | 174.1° |
| C23 | C17 | C14 | H5 | 83.6° | 54.1° |
| C23 | C17 | C19 | H6 | 61.2° | 57.3° |
| C23 | C17 | C19 | H7 | 58.8° | 177.2° |
| C23 | C17 | C19 | H8 | 178.7° | 62.8° |
| C17 | C23 | H15 | H16 | 120.0° | 120.0° |
| C17 | C23 | H15 | H17 | 120.0° | 120.0° |
| C17 | C23 | H16 | H17 | 120.0° | 120.0° |
| H1 | C2 | N1 | H11 | 84.2° | 131.1° |
| H2 | C2 | N1 | H11 | 34.3° | 108.9° |
| H3 | C9 | C14 | H4 | 61.3° | 176.6° |
| H3 | C9 | C14 | H5 | 57.4° | 63.4° |
| H3 | C9 | N7 | H12 | 144.5° | 145.0° |
| H4 | C14 | C17 | H14 | 86.4° | 65.8° |
| H5 | C14 | C17 | H14 | 154.9° | 174.1° |
| H6 | C19 | H7 | H8 | 120.0° | 120.0° |
| H6 | C19 | C17 | H14 | 58.4° | 62.8° |
| H7 | C19 | C17 | H14 | 178.5° | 57.2° |
| H8 | C19 | C17 | H14 | 61.6° | 177.2° |
| H9 | C31 | N34 | H26 | 87.2° | 155.1° |
| H10 | C31 | N34 | H26 | 153.2° | 35.2° |
| H14 | C17 | C23 | H15 | 58.5° | 60.0° |
| H14 | C17 | C23 | H16 | 61.5° | 60.0° |
| H14 | C17 | C23 | H17 | 178.5° | 180.0° |
| H15 | C23 | H16 | H17 | 120.0° | 119.9° |
| H21 | C43 | C45 | H22 | 1.5° | 0.0° |
| H22 | C45 | C47 | H23 | 1.8° | 0.1° |
| H23 | C47 | C49 | H24 | 0.0° | 0.4° |
| H24 | C49 | C51 | H25 | 2.1° | 0.6° |
