1IC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C14 | C13 | sing | 1.53Å | 1.53Å | |
| C13 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C10 | sing | 1.53Å | 1.52Å | |
| C10 | C09 | sing | 1.53Å | 1.52Å | |
| O16 | C08 | doub | 1.21Å | 1.17Å | |
| C09 | C08 | sing | 1.51Å | 1.52Å | |
| C08 | OG | sing | 1.34Å | 1.38Å | |
| OG | CB | sing | 1.45Å | 1.38Å | |
| N | CA | sing | 1.47Å | 1.40Å | |
| CB | CA | sing | 1.53Å | 1.48Å | |
| CA | C | sing | 1.51Å | 1.45Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| N | H1 | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| C09 | H8 | sing | 1.09Å | 1.10Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.31Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C13 | 110.1° | 109.4° |
| C15 | C14 | H18 | 109.3° | 109.4° |
| C15 | C14 | H19 | 109.3° | 109.4° |
| C14 | C15 | H20 | 109.5° | 109.5° |
| C14 | C15 | H21 | 109.4° | 109.4° |
| C14 | C15 | H22 | 109.5° | 109.4° |
| C14 | C13 | C12 | 108.7° | 109.4° |
| C14 | C13 | H16 | 109.7° | 109.5° |
| C14 | C13 | H17 | 109.7° | 109.5° |
| C13 | C14 | H18 | 109.3° | 109.5° |
| C13 | C14 | H19 | 109.3° | 109.5° |
| C13 | C12 | C11 | 107.2° | 109.5° |
| C13 | C12 | H14 | 110.1° | 109.5° |
| C13 | C12 | H15 | 110.1° | 109.5° |
| C12 | C13 | H16 | 109.7° | 109.4° |
| C12 | C13 | H17 | 109.7° | 109.4° |
| C12 | C11 | C10 | 111.9° | 109.5° |
| C12 | C11 | H12 | 108.8° | 109.5° |
| C12 | C11 | H13 | 108.8° | 109.5° |
| C11 | C12 | H14 | 110.0° | 109.4° |
| C11 | C12 | H15 | 110.0° | 109.4° |
| C11 | C10 | C09 | 109.5° | 109.5° |
| C11 | C10 | H10 | 109.5° | 109.5° |
| C11 | C10 | H11 | 109.5° | 109.5° |
| C10 | C11 | H12 | 108.9° | 109.5° |
| C10 | C11 | H13 | 108.9° | 109.5° |
| C10 | C09 | C08 | 109.5° | 109.5° |
| C10 | C09 | H8 | 109.5° | 109.5° |
| C10 | C09 | H9 | 109.5° | 109.5° |
| C09 | C10 | H10 | 109.4° | 109.4° |
| C09 | C10 | H11 | 109.5° | 109.5° |
| O16 | C08 | C09 | 121.8° | 120.0° |
| O16 | C08 | OG | 118.5° | 120.0° |
| C09 | C08 | OG | 119.7° | 120.0° |
| C08 | C09 | H8 | 109.5° | 109.5° |
| C08 | C09 | H9 | 109.5° | 109.5° |
| C08 | OG | CB | 113.1° | 117.0° |
| OG | CB | CA | 105.1° | 109.4° |
| OG | CB | H5 | 110.6° | 109.4° |
| OG | CB | H6 | 110.6° | 109.4° |
| N | CA | CB | 106.3° | 109.4° |
| N | CA | C | 107.9° | 109.5° |
| CA | N | H1 | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | H4 | 105.3° | 109.5° |
| CB | CA | C | 126.4° | 109.5° |
| CB | CA | H4 | 104.4° | 109.5° |
| CA | CB | H5 | 110.5° | 109.5° |
| CA | CB | H6 | 110.6° | 109.5° |
| CA | C | O | 118.1° | 120.0° |
| C | CA | H4 | 104.8° | 109.5° |
| CA | C | OXT | 120.3° | 120.0° |
| O | C | OXT | 121.7° | 120.0° |
| H1 | N | H2 | 109.4° | 111.0° |
| H5 | CB | H6 | 109.5° | 109.6° |
| H8 | C09 | H9 | 109.5° | 109.4° |
| H10 | C10 | H11 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.4° |
| H14 | C12 | H15 | 109.4° | 109.5° |
| H16 | C13 | H17 | 109.4° | 109.6° |
| H18 | C14 | H19 | 109.5° | 109.6° |
| H20 | C15 | H21 | 109.5° | 109.5° |
| H20 | C15 | H22 | 109.4° | 109.5° |
| H21 | C15 | H22 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C13 | H18 | 120.1° | 119.9° |
| C15 | C14 | C13 | H19 | 120.1° | 119.9° |
| C15 | C14 | C13 | C12 | 170.0° | 180.0° |
| C15 | C14 | C13 | H16 | 70.1° | 60.1° |
| C15 | C14 | C13 | H17 | 50.1° | 60.1° |
| C15 | C14 | H18 | H19 | 119.8° | 120.0° |
| C14 | C15 | H20 | H21 | 120.0° | 120.0° |
| C14 | C15 | H20 | H22 | 120.0° | 120.0° |
| C14 | C15 | H21 | H22 | 120.0° | 119.9° |
| C14 | C13 | C12 | H16 | 119.9° | 120.0° |
| C14 | C13 | C12 | H17 | 119.9° | 120.0° |
| C14 | C13 | C12 | C11 | 50.6° | 180.0° |
| C14 | C13 | C12 | H14 | 69.1° | 60.0° |
| C14 | C13 | C12 | H15 | 170.2° | 60.0° |
| C14 | C13 | H16 | H17 | 120.3° | 120.1° |
| C13 | C14 | H18 | H19 | 119.7° | 120.1° |
| C13 | C14 | C15 | H20 | 180.0° | 60.0° |
| C13 | C14 | C15 | H21 | 60.0° | 60.0° |
| C13 | C14 | C15 | H22 | 60.0° | 179.9° |
| C13 | C12 | C11 | H14 | 119.7° | 120.0° |
| C13 | C12 | C11 | H15 | 119.7° | 120.0° |
| C13 | C12 | C11 | C10 | 179.5° | 180.0° |
| C13 | C12 | C11 | H12 | 60.1° | 60.0° |
| C13 | C12 | C11 | H13 | 59.2° | 60.0° |
| C13 | C12 | H14 | H15 | 121.1° | 120.1° |
| C12 | C13 | H16 | H17 | 120.3° | 120.0° |
| C12 | C13 | C14 | H18 | 49.9° | 60.1° |
| C12 | C13 | C14 | H19 | 69.9° | 60.1° |
| C12 | C11 | C10 | H12 | 120.3° | 120.0° |
| C12 | C11 | C10 | H13 | 120.4° | 120.0° |
| C12 | C11 | C10 | C09 | 73.9° | 180.0° |
| C12 | C11 | C10 | H10 | 166.1° | 60.0° |
| C12 | C11 | C10 | H11 | 46.1° | 60.0° |
| C12 | C11 | H12 | H13 | 118.8° | 119.9° |
| C11 | C12 | H14 | H15 | 121.0° | 119.9° |
| C11 | C12 | C13 | H16 | 170.5° | 60.0° |
| C11 | C12 | C13 | H17 | 69.3° | 60.0° |
| C11 | C10 | C09 | H10 | 120.0° | 120.0° |
| C11 | C10 | C09 | H11 | 120.0° | 120.0° |
| C11 | C10 | C09 | C08 | 143.4° | 180.0° |
| C11 | C10 | C09 | H8 | 96.6° | 60.0° |
| C11 | C10 | C09 | H9 | 23.4° | 60.0° |
| C11 | C10 | H10 | H11 | 120.0° | 120.0° |
| C10 | C11 | H12 | H13 | 118.9° | 120.0° |
| C10 | C11 | C12 | H14 | 59.9° | 60.0° |
| C10 | C11 | C12 | H15 | 60.8° | 60.0° |
| C10 | C09 | C08 | O16 | 8.3° | 0.1° |
| C10 | C09 | C08 | H8 | 120.0° | 120.0° |
| C10 | C09 | C08 | H9 | 120.0° | 120.0° |
| C10 | C09 | C08 | OG | 171.6° | 180.0° |
| C10 | C09 | H8 | H9 | 120.0° | 119.9° |
| C09 | C10 | H10 | H11 | 120.0° | 119.9° |
| C09 | C10 | C11 | H12 | 46.4° | 60.0° |
| C09 | C10 | C11 | H13 | 165.7° | 60.0° |
| O16 | C08 | C09 | OG | 179.9° | 179.9° |
| O16 | C08 | OG | CB | 11.2° | 0.1° |
| O16 | C08 | C09 | H8 | 128.3° | 120.0° |
| O16 | C08 | C09 | H9 | 111.7° | 120.1° |
| C09 | C08 | OG | CB | 168.7° | 180.0° |
| C08 | C09 | H8 | H9 | 120.0° | 120.0° |
| C08 | C09 | C10 | H10 | 23.4° | 60.0° |
| C08 | C09 | C10 | H11 | 96.6° | 60.0° |
| C08 | OG | CB | CA | 179.1° | 180.0° |
| C08 | OG | CB | H5 | 61.6° | 60.0° |
| C08 | OG | CB | H6 | 59.8° | 60.0° |
| OG | C08 | C09 | H8 | 51.6° | 59.9° |
| OG | C08 | C09 | H9 | 68.4° | 60.0° |
| OG | CB | CA | N | 65.4° | 65.0° |
| OG | CB | CA | H5 | 119.3° | 119.9° |
| OG | CB | CA | H6 | 119.3° | 120.0° |
| OG | CB | CA | C | 166.8° | 175.0° |
| OG | CB | CA | H4 | 45.7° | 55.0° |
| OG | CB | H5 | H6 | 122.0° | 120.0° |
| N | CA | CB | C | 127.8° | 120.0° |
| N | CA | CB | H4 | 111.1° | 120.0° |
| N | CA | C | H4 | 111.8° | 120.0° |
| N | CA | C | O | 41.3° | 19.9° |
| CA | N | H1 | H2 | 120.0° | 124.0° |
| N | CA | CB | H5 | 53.9° | 175.0° |
| N | CA | CB | H6 | 175.3° | 54.9° |
| N | CA | C | OXT | 140.1° | 160.0° |
| CB | CA | C | H4 | 121.0° | 120.0° |
| CB | CA | C | O | 168.5° | 100.0° |
| CB | CA | N | H1 | 180.0° | 64.0° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CA | CB | H5 | H6 | 122.1° | 120.1° |
| CB | CA | C | OXT | 12.9° | 80.0° |
| CA | C | O | OXT | 178.6° | 180.0° |
| C | CA | N | H1 | 41.9° | 176.1° |
| C | CA | N | H2 | 161.9° | 59.9° |
| C | CA | CB | H5 | 73.9° | 55.1° |
| C | CA | CB | H6 | 47.5° | 65.0° |
| CA | C | OXT | HXT | 178.6° | 180.0° |
| O | C | CA | H4 | 70.5° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| H1 | N | CA | H4 | 69.5° | 56.0° |
| H2 | N | CA | H4 | 50.4° | 180.0° |
| H4 | CA | CB | H5 | 164.9° | 64.9° |
| H4 | CA | CB | H6 | 73.7° | 175.0° |
| H4 | CA | C | OXT | 108.0° | 40.0° |
| H8 | C09 | C10 | H10 | 143.3° | 180.0° |
| H8 | C09 | C10 | H11 | 23.4° | 60.1° |
| H9 | C09 | C10 | H10 | 96.7° | 60.0° |
| H9 | C09 | C10 | H11 | 143.4° | 180.0° |
| H10 | C10 | C11 | H12 | 73.6° | 180.0° |
| H10 | C10 | C11 | H13 | 45.7° | 60.0° |
| H11 | C10 | C11 | H12 | 166.5° | 60.0° |
| H11 | C10 | C11 | H13 | 74.3° | 180.0° |
| H12 | C11 | C12 | H14 | 179.8° | 180.0° |
| H12 | C11 | C12 | H15 | 59.6° | 60.0° |
| H13 | C11 | C12 | H14 | 60.5° | 60.0° |
| H13 | C11 | C12 | H15 | 178.8° | 180.0° |
| H14 | C12 | C13 | H16 | 50.8° | 180.0° |
| H14 | C12 | C13 | H17 | 171.0° | 60.0° |
| H15 | C12 | C13 | H16 | 69.8° | 59.9° |
| H15 | C12 | C13 | H17 | 50.3° | 180.0° |
| H16 | C13 | C14 | H18 | 169.8° | 180.0° |
| H16 | C13 | C14 | H19 | 50.0° | 59.9° |
| H17 | C13 | C14 | H18 | 70.0° | 59.9° |
| H17 | C13 | C14 | H19 | 170.2° | 180.0° |
| H18 | C14 | C15 | H20 | 59.9° | 180.0° |
| H18 | C14 | C15 | H21 | 60.1° | 59.9° |
| H18 | C14 | C15 | H22 | 179.9° | 60.0° |
| H19 | C14 | C15 | H20 | 59.9° | 60.0° |
| H19 | C14 | C15 | H21 | 179.9° | 180.0° |
| H19 | C14 | C15 | H22 | 60.1° | 60.1° |
| H20 | C15 | H21 | H22 | 120.0° | 120.1° |
