JP7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O19 | C18 | doub | 1.21Å | 1.22Å | |
| C18 | N14 | sing | 1.35Å | 1.34Å | |
| C18 | C17 | sing | 1.52Å | 1.47Å | |
| C13 | N14 | sing | 1.49Å | 1.38Å | |
| C13 | C08 | sing | 1.52Å | 1.45Å | |
| N14 | N15 | sing | 1.39Å | 1.31Å | |
| C17 | C16 | sing | 1.55Å | 1.49Å | |
| C08 | C09 | sing | 1.51Å | 1.49Å | |
| C08 | C07 | sing | 1.56Å | 1.50Å | |
| N15 | C16 | sing | 1.47Å | 1.43Å | |
| N15 | C07 | sing | 1.45Å | 1.39Å | |
| C09 | O10 | sing | 1.44Å | 1.34Å | |
| C07 | C06 | sing | 1.48Å | 1.44Å | |
| O10 | C11 | sing | 1.36Å | 1.30Å | |
| C06 | C11 | doub | 1.40Å | 1.34Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.33Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.35Å | Aromatic |
| C05 | C04 | doub | 1.38Å | 1.35Å | Aromatic |
| C12 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C03 | sing | 1.39Å | 1.37Å | Aromatic |
| C03 | O02 | sing | 1.36Å | 1.35Å | |
| O02 | C01 | sing | 1.43Å | 1.34Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O19 | C18 | N14 | 123.2° | 125.8° |
| O19 | C18 | C17 | 129.4° | 125.8° |
| N14 | C18 | C17 | 107.3° | 108.4° |
| C18 | N14 | C13 | 124.5° | 140.4° |
| C18 | N14 | N15 | 111.7° | 111.1° |
| C18 | C17 | C16 | 103.2° | 102.3° |
| C18 | C17 | H172 | 111.0° | 110.9° |
| C18 | C17 | H171 | 111.0° | 111.0° |
| N14 | C13 | C08 | 100.3° | 104.1° |
| C13 | N14 | N15 | 114.3° | 108.5° |
| N14 | C13 | H132 | 111.7° | 110.5° |
| N14 | C13 | H131 | 111.7° | 110.5° |
| C13 | C08 | C09 | 122.6° | 118.6° |
| C13 | C08 | C07 | 98.0° | 99.6° |
| C08 | C13 | H132 | 111.7° | 110.5° |
| C08 | C13 | H131 | 111.7° | 110.5° |
| C13 | C08 | H081 | 111.1° | 110.5° |
| N14 | N15 | C16 | 110.9° | 107.0° |
| N14 | N15 | C07 | 104.1° | 104.8° |
| C17 | C16 | N15 | 102.3° | 101.3° |
| C16 | C17 | H172 | 111.0° | 110.9° |
| C16 | C17 | H171 | 111.0° | 110.8° |
| C17 | C16 | H161 | 111.2° | 111.0° |
| C17 | C16 | H162 | 111.2° | 111.0° |
| C09 | C08 | C07 | 102.5° | 105.4° |
| C08 | C09 | O10 | 107.8° | 106.4° |
| C09 | C08 | H081 | 110.6° | 110.5° |
| C08 | C09 | H091 | 109.9° | 110.0° |
| C08 | C09 | H092 | 109.8° | 110.1° |
| C08 | C07 | N15 | 102.4° | 99.7° |
| C08 | C07 | C06 | 111.4° | 105.8° |
| C08 | C07 | H071 | 105.9° | 109.8° |
| C07 | C08 | H081 | 110.4° | 111.6° |
| C16 | N15 | C07 | 124.4° | 113.3° |
| N15 | C16 | H161 | 111.2° | 111.0° |
| N15 | C16 | H162 | 111.2° | 111.1° |
| N15 | C07 | C06 | 122.5° | 121.1° |
| N15 | C07 | H071 | 107.2° | 109.8° |
| C09 | O10 | C11 | 120.1° | 120.7° |
| O10 | C09 | H091 | 109.9° | 110.1° |
| O10 | C09 | H092 | 109.9° | 110.1° |
| C07 | C06 | C11 | 117.3° | 117.6° |
| C07 | C06 | C05 | 120.6° | 121.9° |
| C06 | C07 | H071 | 106.5° | 109.7° |
| O10 | C11 | C06 | 122.1° | 122.8° |
| O10 | C11 | C12 | 119.2° | 118.3° |
| C11 | C06 | C05 | 122.1° | 120.5° |
| C06 | C11 | C12 | 118.7° | 118.9° |
| C06 | C05 | C04 | 121.4° | 120.4° |
| C06 | C05 | H051 | 119.3° | 119.8° |
| C11 | C12 | C03 | 119.6° | 120.4° |
| C11 | C12 | H121 | 120.2° | 119.8° |
| C05 | C04 | C03 | 118.0° | 119.7° |
| C05 | C04 | H041 | 121.0° | 120.1° |
| C04 | C05 | H051 | 119.3° | 119.8° |
| C12 | C03 | C04 | 120.1° | 120.2° |
| C12 | C03 | O02 | 121.5° | 119.9° |
| C03 | C12 | H121 | 120.2° | 119.8° |
| C04 | C03 | O02 | 118.4° | 119.9° |
| C03 | C04 | H041 | 121.0° | 120.2° |
| C03 | O02 | C01 | 120.1° | 117.0° |
| O02 | C01 | H011 | 109.5° | 109.5° |
| O02 | C01 | H012 | 109.5° | 109.5° |
| O02 | C01 | H013 | 109.4° | 109.4° |
| H132 | C13 | H131 | 109.5° | 110.6° |
| H172 | C17 | H171 | 109.5° | 110.7° |
| H011 | C01 | H012 | 109.5° | 109.4° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H012 | C01 | H013 | 109.4° | 109.5° |
| H091 | C09 | H092 | 109.5° | 110.1° |
| H161 | C16 | H162 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O19 | C18 | N14 | C17 | 178.6° | 180.0° |
| O19 | C18 | N14 | C13 | 27.2° | 10.5° |
| O19 | C18 | N14 | N15 | 171.3° | 170.8° |
| O19 | C18 | C17 | C16 | 162.3° | 169.1° |
| O19 | C18 | C17 | H172 | 43.3° | 50.8° |
| O19 | C18 | C17 | H171 | 78.7° | 72.6° |
| C18 | N14 | C13 | N15 | 143.3° | 178.7° |
| C18 | N14 | C13 | C08 | 164.6° | 176.7° |
| N14 | C18 | C17 | C16 | 19.2° | 10.9° |
| C18 | N14 | N15 | C16 | 4.1° | 26.9° |
| C18 | N14 | N15 | C07 | 140.1° | 147.4° |
| C18 | N14 | C13 | H132 | 76.9° | 58.0° |
| C18 | N14 | C13 | H131 | 46.1° | 64.7° |
| N14 | C18 | C17 | H172 | 138.1° | 129.1° |
| N14 | C18 | C17 | H171 | 99.8° | 107.4° |
| C17 | C18 | N14 | C13 | 154.2° | 169.4° |
| C17 | C18 | N14 | N15 | 10.1° | 9.2° |
| C18 | C17 | C16 | H172 | 119.0° | 118.3° |
| C18 | C17 | C16 | H171 | 119.0° | 118.4° |
| C18 | C17 | C16 | N15 | 20.4° | 25.0° |
| C18 | C17 | H172 | H171 | 122.9° | 123.6° |
| C18 | C17 | C16 | H161 | 98.5° | 93.0° |
| C18 | C17 | C16 | H162 | 139.3° | 143.0° |
| N14 | C13 | C08 | H132 | 118.5° | 118.6° |
| N14 | C13 | C08 | H131 | 118.5° | 118.6° |
| N14 | C13 | C08 | C09 | 148.8° | 139.2° |
| N14 | C13 | C08 | C07 | 38.3° | 25.6° |
| C13 | N14 | N15 | C16 | 143.9° | 152.2° |
| C13 | N14 | N15 | C07 | 7.9° | 31.7° |
| N14 | C13 | H132 | H131 | 124.2° | 122.6° |
| N14 | C13 | C08 | H081 | 77.3° | 91.9° |
| C08 | C13 | N14 | N15 | 21.3° | 2.0° |
| C13 | C08 | C09 | C07 | 108.2° | 110.3° |
| C13 | C08 | C09 | H081 | 134.1° | 129.0° |
| C13 | C08 | C07 | H081 | 116.1° | 116.7° |
| C13 | C08 | C07 | N15 | 44.8° | 43.7° |
| C13 | C08 | C09 | O10 | 176.2° | 177.1° |
| C13 | C08 | C07 | C06 | 177.4° | 170.1° |
| C08 | C13 | H132 | H131 | 124.3° | 122.7° |
| C13 | C08 | C07 | H071 | 67.3° | 71.5° |
| C13 | C08 | C09 | H091 | 64.0° | 63.7° |
| C13 | C08 | C09 | H092 | 56.5° | 57.8° |
| N14 | N15 | C16 | C17 | 15.9° | 31.6° |
| N14 | N15 | C07 | C08 | 33.0° | 47.2° |
| N14 | N15 | C16 | C07 | 125.2° | 114.9° |
| N14 | N15 | C07 | C06 | 158.6° | 162.4° |
| N15 | N14 | C13 | H132 | 139.9° | 120.6° |
| N15 | N14 | C13 | H131 | 97.1° | 116.7° |
| N14 | N15 | C07 | H071 | 78.2° | 68.1° |
| N14 | N15 | C16 | H161 | 103.0° | 86.4° |
| N14 | N15 | C16 | H162 | 134.7° | 149.6° |
| C17 | C16 | N15 | H161 | 118.8° | 118.0° |
| C17 | C16 | N15 | H162 | 118.9° | 118.0° |
| C17 | C16 | N15 | C07 | 141.1° | 146.5° |
| C16 | C17 | H172 | H171 | 122.9° | 123.4° |
| C17 | C16 | H161 | H162 | 123.3° | 124.0° |
| C09 | C08 | C07 | H081 | 117.8° | 120.0° |
| C09 | C08 | C07 | N15 | 170.9° | 167.1° |
| C08 | C09 | O10 | H091 | 119.7° | 119.1° |
| C08 | C09 | O10 | H092 | 119.7° | 119.2° |
| C09 | C08 | C07 | C06 | 56.5° | 66.5° |
| C08 | C09 | O10 | C11 | 47.5° | 35.6° |
| C09 | C08 | C13 | H132 | 92.7° | 20.5° |
| C09 | C08 | C13 | H131 | 30.4° | 102.2° |
| C09 | C08 | C07 | H071 | 58.8° | 51.8° |
| C08 | C09 | H091 | H092 | 120.7° | 121.5° |
| C08 | C07 | N15 | C16 | 161.1° | 163.4° |
| C08 | C07 | N15 | C06 | 125.6° | 115.3° |
| C08 | C07 | N15 | H071 | 111.1° | 115.2° |
| C07 | C08 | C09 | O10 | 68.0° | 66.8° |
| C08 | C07 | C06 | H071 | 114.9° | 118.4° |
| C08 | C07 | C06 | C11 | 23.9° | 34.3° |
| C08 | C07 | C06 | C05 | 153.5° | 146.4° |
| C07 | C08 | C13 | H132 | 156.8° | 93.0° |
| C07 | C08 | C13 | H131 | 80.2° | 144.3° |
| C07 | C08 | C09 | H091 | 172.2° | 174.0° |
| C07 | C08 | C09 | H092 | 51.7° | 52.5° |
| C16 | N15 | C07 | C06 | 73.3° | 81.3° |
| N15 | C16 | C17 | H172 | 139.4° | 143.2° |
| N15 | C16 | C17 | H171 | 98.6° | 93.4° |
| C16 | N15 | C07 | H071 | 50.0° | 48.2° |
| N15 | C16 | H161 | H162 | 123.3° | 124.1° |
| N15 | C07 | C06 | H071 | 123.6° | 129.5° |
| N15 | C07 | C06 | C11 | 145.4° | 146.4° |
| N15 | C07 | C06 | C05 | 32.0° | 34.3° |
| N15 | C07 | C08 | H081 | 71.3° | 73.0° |
| C07 | N15 | C16 | H161 | 22.3° | 28.6° |
| C07 | N15 | C16 | H162 | 100.0° | 95.4° |
| C09 | O10 | C11 | C06 | 10.3° | 2.5° |
| C09 | O10 | C11 | C12 | 169.0° | 178.4° |
| O10 | C09 | C08 | H081 | 49.6° | 53.9° |
| O10 | C09 | H091 | H092 | 120.8° | 121.6° |
| C07 | C06 | C11 | O10 | 2.4° | 2.5° |
| C07 | C06 | C11 | C05 | 177.3° | 179.3° |
| C07 | C06 | C11 | C12 | 178.3° | 178.4° |
| C07 | C06 | C05 | C04 | 178.6° | 178.7° |
| C07 | C06 | C05 | H051 | 1.4° | 1.3° |
| C06 | C07 | C08 | H081 | 61.3° | 53.4° |
| O10 | C11 | C06 | C12 | 179.3° | 179.1° |
| O10 | C11 | C06 | C05 | 179.7° | 178.2° |
| O10 | C11 | C12 | C03 | 179.5° | 178.5° |
| C11 | O10 | C09 | H091 | 167.2° | 154.8° |
| C11 | O10 | C09 | H092 | 72.2° | 83.6° |
| O10 | C11 | C12 | H121 | 0.5° | 1.4° |
| C11 | C06 | C05 | C04 | 1.3° | 0.6° |
| C06 | C11 | C12 | C03 | 0.2° | 0.6° |
| C11 | C06 | C05 | H051 | 178.7° | 179.4° |
| C11 | C06 | C07 | H071 | 91.1° | 84.1° |
| C06 | C11 | C12 | H121 | 179.8° | 179.4° |
| C05 | C06 | C11 | C12 | 1.0° | 0.9° |
| C06 | C05 | C04 | H051 | 180.0° | 180.0° |
| C06 | C05 | C04 | C03 | 0.8° | 0.0° |
| C06 | C05 | C04 | H041 | 179.2° | 180.0° |
| C05 | C06 | C07 | H071 | 91.6° | 95.2° |
| C11 | C12 | C03 | H121 | 180.0° | 180.0° |
| C11 | C12 | C03 | C04 | 0.2° | 0.0° |
| C11 | C12 | C03 | O02 | 179.7° | 180.0° |
| C05 | C04 | C03 | C12 | 0.1° | 0.3° |
| C05 | C04 | C03 | H041 | 180.0° | 179.9° |
| C05 | C04 | C03 | O02 | 180.0° | 179.7° |
| C12 | C03 | C04 | O02 | 180.0° | 180.0° |
| C12 | C03 | O02 | C01 | 13.9° | 180.0° |
| C12 | C03 | C04 | H041 | 180.0° | 179.8° |
| C04 | C03 | O02 | C01 | 166.2° | 0.1° |
| C03 | C04 | C05 | H051 | 179.2° | 180.0° |
| C04 | C03 | C12 | H121 | 179.8° | 180.0° |
| C03 | O02 | C01 | H011 | 180.0° | 180.0° |
| C03 | O02 | C01 | H012 | 60.0° | 60.0° |
| C03 | O02 | C01 | H013 | 60.0° | 60.1° |
| O02 | C03 | C04 | H041 | 0.0° | 0.2° |
| O02 | C03 | C12 | H121 | 0.3° | 0.0° |
| O02 | C01 | H011 | H012 | 120.0° | 120.0° |
| O02 | C01 | H011 | H013 | 120.0° | 120.0° |
| O02 | C01 | H012 | H013 | 120.0° | 120.0° |
| H132 | C13 | C08 | H081 | 41.3° | 149.5° |
| H131 | C13 | C08 | H081 | 164.3° | 26.8° |
| H172 | C17 | C16 | H161 | 20.5° | 25.2° |
| H172 | C17 | C16 | H162 | 101.7° | 98.7° |
| H171 | C17 | C16 | H161 | 142.5° | 148.6° |
| H171 | C17 | C16 | H162 | 20.3° | 24.6° |
| H011 | C01 | H012 | H013 | 120.0° | 120.0° |
| H041 | C04 | C05 | H051 | 0.8° | 0.1° |
| H071 | C07 | C08 | H081 | 176.6° | 171.8° |
| H081 | C08 | C09 | H091 | 70.1° | 65.2° |
| H081 | C08 | C09 | H092 | 169.4° | 173.2° |
