JG6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P02 | O01 | doub | 1.48Å | 1.55Å | |
| O03 | P02 | sing | 1.61Å | 1.53Å | |
| O04 | P02 | sing | 1.61Å | 1.50Å | |
| C05 | P02 | sing | 1.82Å | 1.88Å | |
| C06 | C05 | sing | 1.53Å | 1.54Å | |
| C07 | C06 | sing | 1.51Å | 1.58Å | |
| C09 | N08 | sing | 1.47Å | 1.31Å | |
| C10 | C09 | sing | 1.55Å | 1.56Å | |
| N13 | C12 | doub | 1.30Å | 1.32Å | Aromatic |
| C12 | N11 | sing | 1.36Å | 1.35Å | Aromatic |
| C14 | N11 | sing | 1.37Å | 1.32Å | Aromatic |
| C15 | C14 | doub | 1.40Å | 1.37Å | Aromatic |
| C16 | C15 | sing | 1.41Å | 1.54Å | |
| C18 | N17 | sing | 1.36Å | 1.44Å | |
| N19 | C18 | sing | 1.37Å | 1.48Å | |
| N20 | C18 | doub | 1.31Å | 1.46Å | |
| N17 | C16 | sing | 1.35Å | 1.43Å | |
| O21 | C16 | doub | 1.22Å | 1.20Å | |
| N11 | C10 | sing | 1.47Å | 1.37Å | |
| C22 | C10 | sing | 1.55Å | 1.54Å | |
| C23 | C22 | sing | 1.54Å | 1.35Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| O25 | C24 | sing | 1.43Å | 1.40Å | |
| N08 | C07 | sing | 1.35Å | 1.48Å | |
| O26 | C07 | doub | 1.21Å | 1.21Å | |
| N08 | C23 | sing | 1.47Å | 1.61Å | |
| N13 | C15 | sing | 1.36Å | 1.34Å | Aromatic |
| C14 | N20 | sing | 1.34Å | 1.49Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | 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 | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| N17 | H171 | sing | 0.97Å | 1.00Å | |
| N19 | H192 | sing | 0.97Å | 1.00Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| O03 | H1 | sing | 0.97Å | 0.95Å | |
| O04 | H2 | sing | 0.97Å | 0.95Å | |
| O25 | H251 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | P02 | O03 | 110.7° | 109.5° |
| O01 | P02 | O04 | 109.0° | 109.5° |
| O01 | P02 | C05 | 111.2° | 109.4° |
| O03 | P02 | O04 | 111.1° | 109.5° |
| O03 | P02 | C05 | 104.9° | 109.5° |
| P02 | O03 | H1 | 109.5° | 114.0° |
| O04 | P02 | C05 | 109.9° | 109.5° |
| P02 | O04 | H2 | 109.5° | 114.0° |
| P02 | C05 | C06 | 109.7° | 109.5° |
| P02 | C05 | H051 | 109.4° | 109.5° |
| P02 | C05 | H052 | 109.4° | 109.5° |
| C05 | C06 | C07 | 103.7° | 109.5° |
| C06 | C05 | H051 | 109.4° | 109.5° |
| C06 | C05 | H052 | 109.4° | 109.5° |
| C05 | C06 | H061 | 110.9° | 109.5° |
| C05 | C06 | H062 | 110.9° | 109.5° |
| C06 | C07 | N08 | 123.4° | 120.0° |
| C06 | C07 | O26 | 120.4° | 120.0° |
| C07 | C06 | H061 | 110.9° | 109.4° |
| C07 | C06 | H062 | 110.9° | 109.5° |
| N08 | C09 | C10 | 104.1° | 104.9° |
| C09 | N08 | C07 | 122.0° | 125.7° |
| C09 | N08 | C23 | 109.9° | 108.7° |
| N08 | C09 | H091 | 110.8° | 110.4° |
| N08 | C09 | H092 | 110.8° | 110.4° |
| C09 | C10 | N11 | 109.8° | 111.0° |
| C09 | C10 | C22 | 105.2° | 101.6° |
| C09 | C10 | H101 | 108.8° | 111.0° |
| C10 | C09 | H091 | 110.8° | 110.4° |
| C10 | C09 | H092 | 110.8° | 110.4° |
| N13 | C12 | N11 | 108.5° | 109.8° |
| C12 | N13 | C15 | 108.0° | 109.3° |
| N13 | C12 | H121 | 125.8° | 125.1° |
| C12 | N11 | C14 | 108.3° | 107.5° |
| C12 | N11 | C10 | 128.5° | 126.2° |
| N11 | C12 | H121 | 125.7° | 125.1° |
| N11 | C14 | C15 | 107.2° | 106.1° |
| C14 | N11 | C10 | 123.2° | 126.3° |
| N11 | C14 | N20 | 131.7° | 134.2° |
| C14 | C15 | C16 | 119.8° | 118.6° |
| C14 | C15 | N13 | 107.9° | 107.3° |
| C15 | C14 | N20 | 121.1° | 119.7° |
| C15 | C16 | N17 | 119.3° | 118.3° |
| C15 | C16 | O21 | 119.9° | 120.8° |
| C16 | C15 | N13 | 132.3° | 134.1° |
| N17 | C18 | N19 | 119.7° | 119.0° |
| N17 | C18 | N20 | 120.6° | 121.9° |
| C18 | N17 | C16 | 120.3° | 120.3° |
| C18 | N17 | H171 | 119.9° | 119.8° |
| N19 | C18 | N20 | 119.7° | 119.1° |
| C18 | N19 | H192 | 120.0° | 120.0° |
| C18 | N19 | H191 | 120.0° | 120.0° |
| C18 | N20 | C14 | 118.9° | 121.2° |
| N17 | C16 | O21 | 120.8° | 120.8° |
| C16 | N17 | H171 | 119.9° | 119.9° |
| N11 | C10 | C22 | 112.4° | 111.1° |
| N11 | C10 | H101 | 111.4° | 110.9° |
| C10 | C22 | C23 | 107.6° | 102.9° |
| C22 | C10 | H101 | 109.0° | 111.0° |
| C10 | C22 | H222 | 109.9° | 110.7° |
| C10 | C22 | H221 | 109.9° | 110.7° |
| C22 | C23 | C24 | 110.1° | 109.9° |
| C22 | C23 | N08 | 106.3° | 107.2° |
| C23 | C22 | H222 | 109.9° | 110.7° |
| C23 | C22 | H221 | 109.9° | 110.9° |
| C22 | C23 | H231 | 111.7° | 109.9° |
| C23 | C24 | O25 | 114.0° | 109.5° |
| C24 | C23 | N08 | 111.6° | 109.9° |
| C23 | C24 | H241 | 108.3° | 109.4° |
| C23 | C24 | H242 | 108.3° | 109.4° |
| C24 | C23 | H231 | 109.1° | 109.9° |
| O25 | C24 | H241 | 108.3° | 109.5° |
| O25 | C24 | H242 | 108.3° | 109.5° |
| C24 | O25 | H251 | 109.5° | 114.0° |
| N08 | C07 | O26 | 116.1° | 120.0° |
| C07 | N08 | C23 | 128.1° | 125.6° |
| N08 | C23 | H231 | 108.0° | 110.0° |
| H222 | C22 | H221 | 109.5° | 110.7° |
| H241 | C24 | H242 | 109.4° | 109.5° |
| H051 | C05 | H052 | 109.5° | 109.4° |
| H061 | C06 | H062 | 109.5° | 109.4° |
| H091 | C09 | H092 | 109.5° | 110.4° |
| H192 | N19 | H191 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | P02 | O03 | O04 | 121.3° | 120.0° |
| O01 | P02 | O03 | C05 | 120.1° | 119.9° |
| O01 | P02 | O04 | C05 | 122.1° | 120.0° |
| O01 | P02 | C05 | C06 | 62.6° | 55.0° |
| O01 | P02 | C05 | H051 | 57.4° | 175.0° |
| O01 | P02 | C05 | H052 | 177.4° | 65.0° |
| O01 | P02 | O03 | H1 | 0.0° | 180.0° |
| O01 | P02 | O04 | H2 | 0.0° | 60.0° |
| O03 | P02 | O04 | C05 | 115.6° | 120.0° |
| O03 | P02 | C05 | C06 | 57.1° | 65.0° |
| O03 | P02 | C05 | H051 | 177.2° | 55.1° |
| O03 | P02 | C05 | H052 | 62.9° | 175.0° |
| O03 | P02 | O04 | H2 | 122.3° | 60.1° |
| O04 | P02 | C05 | C06 | 176.6° | 175.0° |
| O04 | P02 | C05 | H051 | 63.4° | 65.0° |
| O04 | P02 | C05 | H052 | 56.6° | 55.0° |
| O04 | P02 | O03 | H1 | 121.3° | 60.0° |
| P02 | C05 | C06 | H051 | 120.0° | 120.0° |
| P02 | C05 | C06 | H052 | 120.0° | 120.0° |
| P02 | C05 | C06 | C07 | 149.2° | 180.0° |
| P02 | C05 | H051 | H052 | 119.9° | 120.0° |
| P02 | C05 | C06 | H061 | 91.7° | 60.0° |
| P02 | C05 | C06 | H062 | 30.1° | 60.0° |
| C05 | P02 | O03 | H1 | 120.0° | 60.1° |
| C05 | P02 | O04 | H2 | 122.1° | 179.9° |
| C05 | C06 | C07 | H061 | 119.1° | 120.0° |
| C05 | C06 | C07 | H062 | 119.1° | 120.0° |
| C05 | C06 | C07 | N08 | 132.1° | 180.0° |
| C05 | C06 | C07 | O26 | 50.7° | 0.0° |
| C06 | C05 | H051 | H052 | 119.9° | 120.0° |
| C05 | C06 | H061 | H062 | 122.7° | 120.0° |
| C06 | C07 | N08 | C09 | 177.3° | 0.0° |
| C06 | C07 | N08 | O26 | 177.3° | 180.0° |
| C06 | C07 | N08 | C23 | 3.6° | 180.0° |
| C07 | C06 | C05 | H051 | 29.2° | 60.0° |
| C07 | C06 | C05 | H052 | 90.8° | 60.0° |
| C07 | C06 | H061 | H062 | 122.7° | 120.0° |
| N08 | C09 | C10 | H091 | 119.2° | 118.9° |
| N08 | C09 | C10 | H092 | 119.2° | 118.9° |
| N08 | C09 | C10 | N11 | 95.4° | 81.1° |
| N08 | C09 | C10 | C22 | 25.8° | 37.0° |
| C09 | N08 | C23 | C22 | 15.7° | 1.0° |
| C09 | N08 | C23 | C24 | 104.4° | 118.4° |
| C09 | N08 | C07 | C23 | 179.1° | 180.0° |
| C09 | N08 | C07 | O26 | 0.0° | 180.0° |
| N08 | C09 | C10 | H101 | 142.4° | 155.1° |
| N08 | C09 | H091 | H092 | 122.5° | 122.2° |
| C09 | N08 | C23 | H231 | 135.7° | 120.5° |
| C09 | C10 | N11 | C12 | 91.4° | 58.5° |
| C09 | C10 | N11 | C14 | 89.9° | 121.2° |
| C09 | C10 | N11 | C22 | 116.7° | 112.2° |
| C09 | C10 | N11 | H101 | 120.6° | 123.9° |
| C09 | C10 | C22 | H101 | 116.5° | 118.1° |
| C09 | C10 | C22 | C23 | 16.2° | 35.5° |
| C10 | C09 | N08 | C07 | 154.4° | 155.9° |
| C10 | C09 | N08 | C23 | 24.9° | 24.1° |
| C09 | C10 | C22 | H222 | 135.9° | 153.9° |
| C09 | C10 | C22 | H221 | 103.5° | 83.0° |
| C10 | C09 | H091 | H092 | 122.4° | 122.3° |
| N13 | C12 | N11 | H121 | 180.0° | 179.8° |
| N13 | C12 | N11 | C14 | 0.3° | 0.2° |
| C12 | N13 | C15 | C14 | 0.2° | 0.3° |
| C12 | N13 | C15 | C16 | 179.8° | 179.9° |
| N13 | C12 | N11 | C10 | 178.6° | 180.0° |
| C12 | N11 | C14 | C10 | 179.0° | 179.8° |
| C12 | N11 | C14 | C15 | 0.1° | 0.0° |
| C12 | N11 | C10 | C22 | 25.4° | 53.7° |
| N11 | C12 | N13 | C15 | 0.3° | 0.3° |
| C12 | N11 | C14 | N20 | 179.8° | 180.0° |
| C12 | N11 | C10 | H101 | 148.0° | 177.6° |
| N11 | C14 | C15 | N20 | 180.0° | 180.0° |
| N11 | C14 | C15 | C16 | 180.0° | 180.0° |
| N11 | C14 | N20 | C18 | 180.0° | 180.0° |
| C14 | N11 | C10 | C22 | 153.4° | 126.6° |
| N11 | C14 | C15 | N13 | 0.1° | 0.2° |
| C14 | N11 | C10 | H101 | 30.7° | 2.7° |
| C14 | N11 | C12 | H121 | 179.7° | 180.0° |
| C14 | C15 | C16 | N13 | 179.9° | 179.7° |
| C15 | C14 | N20 | C18 | 0.0° | 0.0° |
| C14 | C15 | C16 | N17 | 0.0° | 0.0° |
| C14 | C15 | C16 | O21 | 180.0° | 180.0° |
| C15 | C14 | N11 | C10 | 178.8° | 179.8° |
| C15 | C16 | N17 | C18 | 0.0° | 0.0° |
| C15 | C16 | N17 | O21 | 180.0° | 180.0° |
| C16 | C15 | C14 | N20 | 0.0° | 0.0° |
| C15 | C16 | N17 | H171 | 179.9° | 179.9° |
| N17 | C18 | N19 | N20 | 180.0° | 180.0° |
| C18 | N17 | C16 | H171 | 180.0° | 179.9° |
| C18 | N17 | C16 | O21 | 180.0° | 180.0° |
| N17 | C18 | N20 | C14 | 0.0° | 0.0° |
| N17 | C18 | N19 | H192 | 179.9° | 0.0° |
| N17 | C18 | N19 | H191 | 0.1° | 180.0° |
| N19 | C18 | N17 | C16 | 180.0° | 180.0° |
| N19 | C18 | N20 | C14 | 180.0° | 180.0° |
| N19 | C18 | N17 | H171 | 0.0° | 0.1° |
| C18 | N19 | H192 | H191 | 180.0° | 180.0° |
| N20 | C18 | N17 | C16 | 0.0° | 0.1° |
| N20 | C18 | N17 | H171 | 179.9° | 179.9° |
| N20 | C18 | N19 | H192 | 0.0° | 180.0° |
| N20 | C18 | N19 | H191 | 180.0° | 0.0° |
| N17 | C16 | C15 | N13 | 179.9° | 179.8° |
| O21 | C16 | C15 | N13 | 0.1° | 0.3° |
| O21 | C16 | N17 | H171 | 0.0° | 0.1° |
| N11 | C10 | C22 | H101 | 124.0° | 123.8° |
| N11 | C10 | C22 | C23 | 103.3° | 82.6° |
| C10 | N11 | C14 | N20 | 1.2° | 0.2° |
| N11 | C10 | C22 | H222 | 16.4° | 35.8° |
| N11 | C10 | C22 | H221 | 137.0° | 158.9° |
| N11 | C10 | C09 | H091 | 23.8° | 160.0° |
| N11 | C10 | C09 | H092 | 145.4° | 37.7° |
| C10 | N11 | C12 | H121 | 1.4° | 0.2° |
| C10 | C22 | C23 | H222 | 119.7° | 118.3° |
| C10 | C22 | C23 | H221 | 119.7° | 118.4° |
| C10 | C22 | C23 | C24 | 123.2° | 141.6° |
| C10 | C22 | C23 | N08 | 2.1° | 22.2° |
| C10 | C22 | H222 | H221 | 120.8° | 123.1° |
| C22 | C10 | C09 | H091 | 144.9° | 81.8° |
| C22 | C10 | C09 | H092 | 93.4° | 155.9° |
| C10 | C22 | C23 | H231 | 115.5° | 97.4° |
| C22 | C23 | C24 | N08 | 117.8° | 117.8° |
| C22 | C23 | C24 | H231 | 122.9° | 121.0° |
| C22 | C23 | C24 | O25 | 111.4° | 175.0° |
| C22 | C23 | N08 | C07 | 163.5° | 179.0° |
| C22 | C23 | N08 | H231 | 120.0° | 119.5° |
| C23 | C22 | C10 | H101 | 132.7° | 153.6° |
| C23 | C22 | H222 | H221 | 120.9° | 123.4° |
| C22 | C23 | C24 | H241 | 127.9° | 55.0° |
| C22 | C23 | C24 | H242 | 9.3° | 65.0° |
| C23 | C24 | O25 | H241 | 120.7° | 120.0° |
| C23 | C24 | O25 | H242 | 120.7° | 120.0° |
| C24 | C23 | N08 | C07 | 76.4° | 61.6° |
| C24 | C23 | N08 | H231 | 119.9° | 121.1° |
| C24 | C23 | C22 | H222 | 117.1° | 100.1° |
| C24 | C23 | C22 | H221 | 3.5° | 23.2° |
| C23 | C24 | H241 | H242 | 117.9° | 119.9° |
| C23 | C24 | O25 | H251 | 180.0° | 180.0° |
| O25 | C24 | C23 | N08 | 6.4° | 67.2° |
| O25 | C24 | H241 | H242 | 117.9° | 120.1° |
| O25 | C24 | C23 | H231 | 125.7° | 54.0° |
| N08 | C07 | C06 | H061 | 108.8° | 60.0° |
| N08 | C07 | C06 | H062 | 13.0° | 60.0° |
| C07 | N08 | C09 | H091 | 35.2° | 85.2° |
| C07 | N08 | C09 | H092 | 86.5° | 37.0° |
| C07 | N08 | C23 | H231 | 43.5° | 59.5° |
| O26 | C07 | N08 | C23 | 179.1° | 0.0° |
| O26 | C07 | C06 | H061 | 68.3° | 120.0° |
| O26 | C07 | C06 | H062 | 169.8° | 120.0° |
| N08 | C23 | C22 | H222 | 121.8° | 140.5° |
| N08 | C23 | C22 | H221 | 117.6° | 96.2° |
| N08 | C23 | C24 | H241 | 114.3° | 172.8° |
| N08 | C23 | C24 | H242 | 127.1° | 52.8° |
| C23 | N08 | C09 | H091 | 144.0° | 94.7° |
| C23 | N08 | C09 | H092 | 94.3° | 143.0° |
| N13 | C15 | C14 | N20 | 180.0° | 179.8° |
| C15 | N13 | C12 | H121 | 179.7° | 179.8° |
| H101 | C10 | C22 | H222 | 107.6° | 88.1° |
| H101 | C10 | C22 | H221 | 13.0° | 35.0° |
| H101 | C10 | C09 | H091 | 98.4° | 36.2° |
| H101 | C10 | C09 | H092 | 23.2° | 86.1° |
| H222 | C22 | C23 | H231 | 4.2° | 20.9° |
| H221 | C22 | C23 | H231 | 124.8° | 144.2° |
| H241 | C24 | C23 | H231 | 5.0° | 66.0° |
| H241 | C24 | O25 | H251 | 59.3° | 60.0° |
| H242 | C24 | C23 | H231 | 113.6° | 174.0° |
| H242 | C24 | O25 | H251 | 59.3° | 60.1° |
| H051 | C05 | C06 | H061 | 148.2° | 60.0° |
| H051 | C05 | C06 | H062 | 89.9° | NaN° |
| H052 | C05 | C06 | H061 | 28.3° | 180.0° |
| H052 | C05 | C06 | H062 | 150.1° | 60.0° |
