9EV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O09 | P08 | doub | 1.48Å | 1.53Å | |
| P08 | O11 | sing | 1.61Å | 1.53Å | |
| P08 | O10 | sing | 1.61Å | 1.51Å | |
| P08 | O07 | sing | 1.61Å | 1.63Å | |
| O07 | C06 | sing | 1.43Å | 1.37Å | |
| C06 | C05 | sing | 1.51Å | 1.56Å | |
| O16 | C15 | doub | 1.21Å | 1.21Å | |
| O14 | C15 | sing | 1.35Å | 1.45Å | |
| O14 | C13 | sing | 1.46Å | 1.42Å | |
| C15 | C17 | sing | 1.52Å | 1.46Å | |
| C05 | C04 | doub | 1.38Å | 1.38Å | Aromatic |
| C05 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.54Å | |
| C13 | N18 | sing | 1.48Å | 1.50Å | |
| C04 | N03 | sing | 1.32Å | 1.34Å | Aromatic |
| C17 | N18 | sing | 1.48Å | 1.45Å | |
| C12 | C28 | doub | 1.39Å | 1.41Å | Aromatic |
| N18 | C19 | sing | 1.47Å | 1.49Å | |
| C19 | C20 | sing | 1.53Å | 1.57Å | |
| N03 | C02 | doub | 1.32Å | 1.33Å | Aromatic |
| N | CA | sing | 1.47Å | 1.50Å | |
| C28 | C02 | sing | 1.39Å | 1.40Å | Aromatic |
| C28 | O29 | sing | 1.36Å | 1.38Å | |
| C02 | C01 | sing | 1.51Å | 1.56Å | |
| C21 | C20 | sing | 1.53Å | 1.56Å | |
| C21 | C22 | sing | 1.53Å | 1.58Å | |
| CA | C22 | sing | 1.53Å | 1.56Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| O | C | doub | 1.21Å | 1.26Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H18 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C01 | H10 | sing | 1.09Å | 1.10Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C04 | H13 | sing | 1.08Å | 1.08Å | |
| C06 | H14 | sing | 1.09Å | 1.10Å | |
| C06 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| O10 | H24 | sing | 0.97Å | 0.95Å | |
| O11 | H25 | sing | 0.97Å | 0.95Å | |
| O29 | H26 | sing | 0.97Å | 0.95Å | |
| C | OXT | sing | 1.34Å | 78.56Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O09 | P08 | O11 | 112.9° | 109.5° |
| O09 | P08 | O10 | 107.6° | 109.4° |
| O09 | P08 | O07 | 110.1° | 109.5° |
| O11 | P08 | O10 | 112.1° | 109.5° |
| O11 | P08 | O07 | 103.7° | 109.5° |
| P08 | O11 | H25 | 109.5° | 114.0° |
| O10 | P08 | O07 | 110.5° | 109.5° |
| P08 | O10 | H24 | 109.5° | 114.0° |
| P08 | O07 | C06 | 110.2° | 123.0° |
| O07 | C06 | C05 | 108.4° | 109.5° |
| O07 | C06 | H14 | 109.7° | 109.5° |
| O07 | C06 | H15 | 109.8° | 109.5° |
| C06 | C05 | C04 | 120.6° | 120.4° |
| C06 | C05 | C12 | 119.2° | 120.4° |
| C05 | C06 | H14 | 109.7° | 109.4° |
| C05 | C06 | H15 | 109.7° | 109.5° |
| O16 | C15 | O14 | 127.3° | 127.1° |
| O16 | C15 | C17 | 119.0° | 127.0° |
| C15 | O14 | C13 | 101.1° | 108.2° |
| O14 | C15 | C17 | 113.7° | 105.9° |
| O14 | C13 | C12 | 116.4° | 109.9° |
| O14 | C13 | N18 | 111.6° | 107.3° |
| O14 | C13 | H1 | 99.8° | 110.0° |
| C15 | C17 | N18 | 104.6° | 104.3° |
| C15 | C17 | H18 | 110.7° | 110.5° |
| C15 | C17 | H3 | 110.7° | 110.4° |
| C04 | C05 | C12 | 119.9° | 119.3° |
| C05 | C04 | N03 | 121.6° | 120.9° |
| C05 | C04 | H13 | 119.2° | 119.6° |
| C05 | C12 | C13 | 118.5° | 120.8° |
| C05 | C12 | C28 | 117.4° | 118.4° |
| C12 | C13 | N18 | 124.1° | 109.9° |
| C13 | C12 | C28 | 122.5° | 120.8° |
| C12 | C13 | H1 | 99.1° | 109.9° |
| C13 | N18 | C17 | 103.1° | 104.8° |
| C13 | N18 | C19 | 106.8° | 111.0° |
| N18 | C13 | H1 | 99.3° | 109.9° |
| C04 | N03 | C02 | 120.5° | 121.8° |
| N03 | C04 | H13 | 119.2° | 119.5° |
| C17 | N18 | C19 | 119.4° | 111.0° |
| N18 | C17 | H18 | 110.7° | 110.5° |
| N18 | C17 | H3 | 110.6° | 110.4° |
| C12 | C28 | C02 | 120.1° | 119.0° |
| C12 | C28 | O29 | 118.2° | 120.5° |
| N18 | C19 | C20 | 110.6° | 109.4° |
| N18 | C19 | H16 | 109.2° | 109.5° |
| N18 | C19 | H17 | 109.2° | 109.5° |
| C19 | C20 | C21 | 108.9° | 109.4° |
| C19 | C20 | H4 | 109.6° | 109.5° |
| C19 | C20 | H5 | 109.6° | 109.5° |
| C20 | C19 | H16 | 109.2° | 109.4° |
| C20 | C19 | H17 | 109.2° | 109.5° |
| N03 | C02 | C28 | 120.2° | 120.7° |
| N03 | C02 | C01 | 117.5° | 119.7° |
| N | CA | C22 | 111.6° | 109.5° |
| N | CA | C | 102.5° | 109.5° |
| N | CA | HA | 108.0° | 109.5° |
| CA | N | H | 109.5° | 110.9° |
| CA | N | H2 | 109.5° | 111.0° |
| C02 | C28 | O29 | 121.5° | 120.5° |
| C28 | C02 | C01 | 122.3° | 119.6° |
| C28 | O29 | H26 | 109.5° | 114.0° |
| C02 | C01 | H10 | 109.5° | 109.4° |
| C02 | C01 | H11 | 109.4° | 109.5° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C20 | C21 | C22 | 118.6° | 109.4° |
| C21 | C20 | H4 | 109.6° | 109.5° |
| C21 | C20 | H5 | 109.6° | 109.5° |
| C20 | C21 | H6 | 107.2° | 109.5° |
| C20 | C21 | H7 | 107.1° | 109.5° |
| C21 | C22 | CA | 106.7° | 109.5° |
| C22 | C21 | H6 | 107.1° | 109.5° |
| C22 | C21 | H7 | 107.1° | 109.5° |
| C21 | C22 | H8 | 110.2° | 109.5° |
| C21 | C22 | H9 | 110.2° | 109.4° |
| C22 | CA | C | 119.8° | 109.5° |
| CA | C22 | H8 | 110.1° | 109.5° |
| CA | C22 | H9 | 110.1° | 109.4° |
| C22 | CA | HA | 107.2° | 109.5° |
| CA | C | O | 121.4° | 120.0° |
| C | CA | HA | 107.4° | 109.5° |
| CA | C | OXT | 90.5° | 120.0° |
| O | C | OXT | 100.5° | 120.0° |
| H18 | C17 | H3 | 109.5° | 110.5° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H6 | C21 | H7 | 109.4° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H10 | C01 | H11 | 109.5° | 109.5° |
| H10 | C01 | H12 | 109.4° | 109.4° |
| H11 | C01 | H12 | 109.5° | 109.5° |
| H14 | C06 | H15 | 109.5° | 109.4° |
| H16 | C19 | H17 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O09 | P08 | O11 | O10 | 121.7° | 120.0° |
| O09 | P08 | O11 | O07 | 119.1° | 120.0° |
| O09 | P08 | O10 | O07 | 120.2° | 120.0° |
| O09 | P08 | O07 | C06 | 55.3° | 55.0° |
| O09 | P08 | O10 | H24 | 0.0° | 180.0° |
| O09 | P08 | O11 | H25 | 0.0° | 60.0° |
| O11 | P08 | O10 | O07 | 115.1° | 120.0° |
| O11 | P08 | O07 | C06 | 176.3° | 175.1° |
| O11 | P08 | O10 | H24 | 124.7° | 60.0° |
| O10 | P08 | O07 | C06 | 63.4° | 65.0° |
| O10 | P08 | O11 | H25 | 121.7° | 60.0° |
| P08 | O07 | C06 | C05 | 152.8° | 180.0° |
| P08 | O07 | C06 | H14 | 33.0° | 60.0° |
| P08 | O07 | C06 | H15 | 87.4° | 60.0° |
| O07 | P08 | O10 | H24 | 120.2° | 60.0° |
| O07 | P08 | O11 | H25 | 119.1° | 180.0° |
| O07 | C06 | C05 | H14 | 119.8° | 120.0° |
| O07 | C06 | C05 | H15 | 119.8° | 120.1° |
| O07 | C06 | C05 | C04 | 85.7° | 0.0° |
| O07 | C06 | C05 | C12 | 100.1° | 179.3° |
| O07 | C06 | H14 | H15 | 120.5° | 120.0° |
| C06 | C05 | C04 | C12 | 174.1° | 179.3° |
| C06 | C05 | C12 | C13 | 14.3° | 0.2° |
| C06 | C05 | C04 | N03 | 177.3° | 180.0° |
| C06 | C05 | C12 | C28 | 179.8° | 179.8° |
| C06 | C05 | C04 | H13 | 2.6° | 0.4° |
| C05 | C06 | H14 | H15 | 120.5° | 120.0° |
| O16 | C15 | O14 | C17 | 178.2° | 180.0° |
| O16 | C15 | O14 | C13 | 177.8° | 149.3° |
| O16 | C15 | C17 | N18 | 167.0° | 150.3° |
| O16 | C15 | C17 | H18 | 73.8° | 31.5° |
| O16 | C15 | C17 | H3 | 47.8° | 91.0° |
| C15 | O14 | C13 | C12 | 168.4° | 139.5° |
| C15 | O14 | C13 | N18 | 17.9° | 20.1° |
| O14 | C15 | C17 | N18 | 11.4° | 29.7° |
| C15 | O14 | C13 | H1 | 86.2° | 99.3° |
| O14 | C15 | C17 | H18 | 107.8° | 148.4° |
| O14 | C15 | C17 | H3 | 130.6° | 89.0° |
| C13 | O14 | C15 | C17 | 4.0° | 30.6° |
| O14 | C13 | C12 | C05 | 90.9° | 32.2° |
| O14 | C13 | C12 | N18 | 146.4° | 117.8° |
| O14 | C13 | C12 | H1 | 105.8° | 121.2° |
| O14 | C13 | N18 | H1 | 104.5° | 119.5° |
| O14 | C13 | N18 | C17 | 25.4° | 0.6° |
| O14 | C13 | C12 | C28 | 104.0° | 147.8° |
| O14 | C13 | N18 | C19 | 152.0° | 120.5° |
| C15 | C17 | N18 | C13 | 20.7° | 16.6° |
| C15 | C17 | N18 | H18 | 119.2° | 118.8° |
| C15 | C17 | N18 | H3 | 119.2° | 118.6° |
| C15 | C17 | N18 | C19 | 138.8° | 103.3° |
| C15 | C17 | H18 | H3 | 122.3° | 122.5° |
| C04 | C05 | C12 | C13 | 171.5° | 179.5° |
| C05 | C04 | N03 | H13 | 180.0° | 179.6° |
| C04 | C05 | C12 | C28 | 5.6° | 0.4° |
| C05 | C04 | N03 | C02 | 0.7° | 0.5° |
| C04 | C05 | C06 | H14 | 154.5° | 120.0° |
| C04 | C05 | C06 | H15 | 34.1° | 120.1° |
| C05 | C12 | C13 | C28 | 165.1° | 180.0° |
| C05 | C12 | C13 | N18 | 122.7° | 150.0° |
| C12 | C05 | C04 | N03 | 3.3° | 0.7° |
| C05 | C12 | C28 | C02 | 5.7° | 0.0° |
| C05 | C12 | C28 | O29 | 179.5° | 179.8° |
| C05 | C12 | C13 | H1 | 14.9° | 88.9° |
| C12 | C05 | C04 | H13 | 176.7° | 179.7° |
| C12 | C05 | C06 | H14 | 19.7° | 60.7° |
| C12 | C05 | C06 | H15 | 140.0° | 59.3° |
| C12 | C13 | N18 | H1 | 107.8° | 121.1° |
| C12 | C13 | N18 | C17 | 173.2° | 120.0° |
| C12 | C13 | N18 | C19 | 60.2° | 120.2° |
| C13 | C12 | C28 | C02 | 171.0° | 180.0° |
| C13 | C12 | C28 | O29 | 14.2° | 0.2° |
| C13 | N18 | C17 | C19 | 118.1° | 119.9° |
| N18 | C13 | C12 | C28 | 42.4° | 30.0° |
| C13 | N18 | C19 | C20 | 154.1° | 170.0° |
| C13 | N18 | C17 | H18 | 98.5° | 135.3° |
| C13 | N18 | C17 | H3 | 140.0° | 102.0° |
| C13 | N18 | C19 | H16 | 33.9° | 70.1° |
| C13 | N18 | C19 | H17 | 85.7° | 50.0° |
| C04 | N03 | C02 | C28 | 0.8° | 0.1° |
| C04 | N03 | C02 | C01 | 179.8° | 180.0° |
| C17 | N18 | C19 | C20 | 89.7° | 73.8° |
| C17 | N18 | C13 | H1 | 79.1° | 119.0° |
| N18 | C17 | H18 | H3 | 122.2° | 122.6° |
| C17 | N18 | C19 | H16 | 150.1° | 46.1° |
| C17 | N18 | C19 | H17 | 30.4° | 166.1° |
| C12 | C28 | C02 | N03 | 3.4° | 0.2° |
| C12 | C28 | C02 | O29 | 174.6° | 179.8° |
| C12 | C28 | C02 | C01 | 177.2° | 179.7° |
| C28 | C12 | C13 | H1 | 150.2° | 91.0° |
| C12 | C28 | O29 | H26 | 180.0° | 90.3° |
| N18 | C19 | C20 | H16 | 120.1° | 119.9° |
| N18 | C19 | C20 | H17 | 120.2° | 120.0° |
| N18 | C19 | C20 | C21 | 113.2° | 180.0° |
| C19 | N18 | C13 | H1 | 47.5° | 0.9° |
| C19 | N18 | C17 | H18 | 19.5° | 15.5° |
| C19 | N18 | C17 | H3 | 102.0° | 138.1° |
| N18 | C19 | C20 | H4 | 6.7° | 60.0° |
| N18 | C19 | C20 | H5 | 126.8° | 60.0° |
| N18 | C19 | H16 | H17 | 119.5° | 120.0° |
| C19 | C20 | C21 | H4 | 119.9° | 120.0° |
| C19 | C20 | C21 | H5 | 119.9° | 120.0° |
| C19 | C20 | C21 | C22 | 161.2° | NaN° |
| C19 | C20 | H4 | H5 | 120.3° | 120.0° |
| C19 | C20 | C21 | H6 | 39.8° | 60.0° |
| C19 | C20 | C21 | H7 | 77.5° | 60.0° |
| C20 | C19 | H16 | H17 | 119.5° | 120.0° |
| N03 | C02 | C28 | C01 | 179.4° | 179.9° |
| N03 | C02 | C28 | O29 | 178.0° | 180.0° |
| N03 | C02 | C01 | H10 | 0.0° | 90.0° |
| N03 | C02 | C01 | H11 | 120.0° | 30.1° |
| N03 | C02 | C01 | H12 | 120.0° | 150.1° |
| C02 | N03 | C04 | H13 | 179.3° | 179.9° |
| N | CA | C22 | C21 | 61.5° | 65.0° |
| N | CA | C22 | C | 119.6° | 120.0° |
| N | CA | C22 | HA | 118.0° | 120.0° |
| N | CA | C | HA | 113.6° | 120.0° |
| N | CA | C | O | 70.1° | 20.0° |
| N | CA | C22 | H8 | 179.0° | 175.0° |
| N | CA | C22 | H9 | 58.1° | 55.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | C | OXT | 32.6° | 160.0° |
| C28 | C02 | C01 | H10 | 179.5° | 90.0° |
| C28 | C02 | C01 | H11 | 59.4° | 150.0° |
| C28 | C02 | C01 | H12 | 60.6° | 30.0° |
| C02 | C28 | O29 | H26 | 5.3° | 89.9° |
| O29 | C28 | C02 | C01 | 2.6° | 0.0° |
| C02 | C01 | H10 | H11 | 120.0° | 120.0° |
| C02 | C01 | H10 | H12 | 120.0° | 120.0° |
| C02 | C01 | H11 | H12 | 120.0° | 120.0° |
| C20 | C21 | C22 | H6 | 121.3° | 120.0° |
| C20 | C21 | C22 | H7 | 121.3° | 120.0° |
| C20 | C21 | C22 | CA | 174.2° | 180.0° |
| C21 | C20 | H4 | H5 | 120.3° | 120.0° |
| C20 | C21 | H6 | H7 | 115.8° | 120.0° |
| C20 | C21 | C22 | H8 | 54.6° | 60.0° |
| C20 | C21 | C22 | H9 | 66.3° | 60.0° |
| C21 | C20 | C19 | H16 | 126.6° | 60.0° |
| C21 | C20 | C19 | H17 | 6.9° | 60.0° |
| C21 | C22 | CA | H8 | 119.6° | 120.0° |
| C21 | C22 | CA | H9 | 119.6° | 119.9° |
| C21 | C22 | CA | C | 179.0° | 175.0° |
| C22 | C21 | C20 | H4 | 78.9° | 60.0° |
| C22 | C21 | C20 | H5 | 41.3° | 60.0° |
| C22 | C21 | H6 | H7 | 115.8° | 120.0° |
| C21 | C22 | H8 | H9 | 121.3° | 120.0° |
| C21 | C22 | CA | HA | 56.5° | 55.1° |
| C22 | CA | C | HA | 122.4° | 120.0° |
| C22 | CA | C | O | 165.9° | 100.0° |
| CA | C22 | C21 | H6 | 64.5° | 60.0° |
| CA | C22 | C21 | H7 | 52.9° | 60.1° |
| CA | C22 | H8 | H9 | 121.3° | 120.0° |
| C22 | CA | N | H | 180.0° | 60.0° |
| C22 | CA | N | H2 | 60.0° | 63.9° |
| C22 | CA | C | OXT | 91.4° | 80.0° |
| CA | C | O | OXT | 97.2° | 180.0° |
| C | CA | C22 | H8 | 59.4° | 55.0° |
| C | CA | C22 | H9 | 61.5° | 65.0° |
| C | CA | N | H | 50.7° | 60.0° |
| C | CA | N | H2 | 69.4° | 176.1° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| O | C | CA | HA | 43.5° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| H4 | C20 | C21 | H6 | 159.7° | 60.0° |
| H4 | C20 | C21 | H7 | 42.4° | 180.0° |
| H4 | C20 | C19 | H16 | 113.5° | 180.0° |
| H4 | C20 | C19 | H17 | 126.8° | 60.0° |
| H5 | C20 | C21 | H6 | 80.1° | 180.0° |
| H5 | C20 | C21 | H7 | 162.6° | 60.0° |
| H5 | C20 | C19 | H16 | 6.7° | 60.0° |
| H5 | C20 | C19 | H17 | 113.0° | 180.0° |
| H6 | C21 | C22 | H8 | 176.0° | 180.0° |
| H6 | C21 | C22 | H9 | 55.1° | 60.0° |
| H7 | C21 | C22 | H8 | 66.7° | 60.0° |
| H7 | C21 | C22 | H9 | 172.4° | 180.0° |
| H8 | C22 | CA | HA | 63.0° | 65.0° |
| H9 | C22 | CA | HA | 176.1° | 175.0° |
| H10 | C01 | H11 | H12 | 120.0° | 120.0° |
| HA | CA | N | H | 62.5° | 180.0° |
| HA | CA | N | H2 | 177.5° | 56.1° |
| HA | CA | C | OXT | 146.2° | 40.0° |
