DOA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C1 | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| C1 | C2 | sing | 1.53Å | 1.51Å | |
| C1 | HA1 | sing | 1.09Å | 1.12Å | |
| C1 | HA2 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | H31 | sing | 1.09Å | 1.11Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.12Å | |
| C7 | C8 | sing | 1.53Å | 1.54Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.12Å | |
| C8 | C9 | sing | 1.53Å | 1.55Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C9 | C10 | sing | 1.53Å | 1.54Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| C10 | CA2 | sing | 1.53Å | 1.54Å | |
| C10 | H101 | sing | 1.09Å | 1.11Å | |
| C10 | H102 | sing | 1.09Å | 1.11Å | |
| CA2 | C | sing | 1.51Å | 1.53Å | |
| CA2 | HA21 | sing | 1.09Å | 1.12Å | |
| CA2 | HA22 | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N | H | 113.7° | 106.7° |
| C1 | N | H2 | 110.6° | 106.8° |
| N | C1 | C2 | 113.7° | 109.5° |
| N | C1 | HA1 | 110.7° | 109.5° |
| N | C1 | HA2 | 110.7° | 109.4° |
| H | N | H2 | 110.7° | 106.7° |
| C2 | C1 | HA1 | 110.6° | 109.5° |
| C2 | C1 | HA2 | 110.6° | 109.5° |
| C1 | C2 | C3 | 111.7° | 109.5° |
| C1 | C2 | H21 | 111.4° | 109.5° |
| C1 | C2 | H22 | 111.4° | 109.4° |
| HA1 | C1 | HA2 | 99.6° | 109.5° |
| C3 | C2 | H21 | 111.4° | 109.5° |
| C3 | C2 | H22 | 111.4° | 109.5° |
| C2 | C3 | C4 | 114.5° | 109.5° |
| C2 | C3 | H31 | 110.4° | 109.5° |
| C2 | C3 | H32 | 110.4° | 109.4° |
| H21 | C2 | H22 | 99.0° | 109.5° |
| C4 | C3 | H31 | 110.3° | 109.5° |
| C4 | C3 | H32 | 110.3° | 109.5° |
| C3 | C4 | C5 | 111.5° | 109.5° |
| C3 | C4 | H41 | 111.5° | 109.5° |
| C3 | C4 | H42 | 111.5° | 109.5° |
| H31 | C3 | H32 | 99.9° | 109.4° |
| C5 | C4 | H41 | 111.4° | 109.5° |
| C5 | C4 | H42 | 111.4° | 109.4° |
| C4 | C5 | C6 | 112.1° | 109.5° |
| C4 | C5 | H51 | 111.3° | 109.5° |
| C4 | C5 | H52 | 111.3° | 109.5° |
| H41 | C4 | H42 | 98.9° | 109.4° |
| C6 | C5 | H51 | 111.2° | 109.5° |
| C6 | C5 | H52 | 111.2° | 109.4° |
| C5 | C6 | C7 | 114.0° | 109.5° |
| C5 | C6 | H61 | 110.6° | 109.5° |
| C5 | C6 | H62 | 110.6° | 109.5° |
| H51 | C5 | H52 | 99.1° | 109.5° |
| C7 | C6 | H61 | 110.5° | 109.4° |
| C7 | C6 | H62 | 110.5° | 109.5° |
| C6 | C7 | C8 | 113.1° | 109.5° |
| C6 | C7 | H71 | 110.9° | 109.4° |
| C6 | C7 | H72 | 110.9° | 109.5° |
| H61 | C6 | H62 | 99.7° | 109.5° |
| C8 | C7 | H71 | 110.9° | 109.4° |
| C8 | C7 | H72 | 110.9° | 109.5° |
| C7 | C8 | C9 | 113.2° | 109.5° |
| C7 | C8 | H81 | 110.8° | 109.4° |
| C7 | C8 | H82 | 110.8° | 109.5° |
| H71 | C7 | H72 | 99.4° | 109.5° |
| C9 | C8 | H81 | 110.8° | 109.4° |
| C9 | C8 | H82 | 110.8° | 109.5° |
| C8 | C9 | C10 | 110.9° | 109.5° |
| C8 | C9 | H91 | 111.7° | 109.5° |
| C8 | C9 | H92 | 111.7° | 109.5° |
| H81 | C8 | H82 | 99.5° | 109.5° |
| C10 | C9 | H91 | 111.7° | 109.4° |
| C10 | C9 | H92 | 111.7° | 109.5° |
| C9 | C10 | CA2 | 114.2° | 109.6° |
| C9 | C10 | H101 | 110.5° | 109.4° |
| C9 | C10 | H102 | 110.5° | 109.5° |
| H91 | C9 | H92 | 98.6° | 109.4° |
| CA2 | C10 | H101 | 110.5° | 109.4° |
| CA2 | C10 | H102 | 110.5° | 109.5° |
| C10 | CA2 | C | 114.2° | 109.6° |
| C10 | CA2 | HA21 | 110.5° | 109.5° |
| C10 | CA2 | HA22 | 110.5° | 109.5° |
| H101 | C10 | H102 | 99.8° | 109.4° |
| C | CA2 | HA21 | 110.5° | 109.5° |
| C | CA2 | HA22 | 110.5° | 109.4° |
| CA2 | C | O | 120.7° | 119.9° |
| CA2 | C | OXT | 116.2° | 120.1° |
| HA21 | CA2 | HA22 | 99.8° | 109.4° |
| O | C | OXT | 123.1° | 120.0° |
| C | OXT | HXT | 116.1° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N | H | H2 | 125.2° | 113.9° |
| N | C1 | C2 | HA1 | 125.3° | 120.0° |
| N | C1 | C2 | HA2 | 125.3° | 120.0° |
| N | C1 | HA1 | HA2 | 116.6° | 120.0° |
| N | C1 | C2 | C3 | 146.4° | 180.0° |
| N | C1 | C2 | H21 | 21.1° | 60.0° |
| N | C1 | C2 | H22 | 88.4° | 60.0° |
| H | N | C1 | C2 | 180.0° | 66.2° |
| H | N | C1 | HA1 | 54.7° | 53.8° |
| H | N | C1 | HA2 | 54.7° | 173.8° |
| H2 | N | C1 | C2 | 54.7° | 180.0° |
| H2 | N | C1 | HA1 | 180.0° | 60.0° |
| H2 | N | C1 | HA2 | 70.5° | 60.0° |
| C2 | C1 | HA1 | HA2 | 116.4° | 120.0° |
| C1 | C2 | C3 | H21 | 125.3° | 120.0° |
| C1 | C2 | C3 | H22 | 125.3° | 119.9° |
| C1 | C2 | H21 | H22 | 117.3° | 119.9° |
| C1 | C2 | C3 | C4 | 87.7° | 180.0° |
| C1 | C2 | C3 | H31 | 37.6° | 59.9° |
| C1 | C2 | C3 | H32 | 147.1° | 60.0° |
| HA1 | C1 | C2 | C3 | 88.3° | 60.0° |
| HA1 | C1 | C2 | H21 | 146.4° | 180.0° |
| HA1 | C1 | C2 | H22 | 36.9° | 60.0° |
| HA2 | C1 | C2 | C3 | 21.1° | 60.0° |
| HA2 | C1 | C2 | H21 | 104.2° | 60.0° |
| HA2 | C1 | C2 | H22 | 146.3° | 180.0° |
| C3 | C2 | H21 | H22 | 117.2° | 120.0° |
| C2 | C3 | C4 | H31 | 125.3° | 120.1° |
| C2 | C3 | C4 | H32 | 125.3° | 120.0° |
| C2 | C3 | H31 | H32 | 116.3° | 119.9° |
| C2 | C3 | C4 | C5 | 169.9° | 180.0° |
| C2 | C3 | C4 | H41 | 44.7° | 59.9° |
| C2 | C3 | C4 | H42 | 64.9° | 60.0° |
| H21 | C2 | C3 | C4 | 147.1° | 60.0° |
| H21 | C2 | C3 | H31 | 87.7° | 179.9° |
| H21 | C2 | C3 | H32 | 21.8° | 60.0° |
| H22 | C2 | C3 | C4 | 37.6° | 60.1° |
| H22 | C2 | C3 | H31 | 162.8° | 60.0° |
| H22 | C2 | C3 | H32 | 87.7° | 179.9° |
| C4 | C3 | H31 | H32 | 116.1° | 120.0° |
| C3 | C4 | C5 | H41 | 125.3° | 120.1° |
| C3 | C4 | C5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 117.4° | 120.0° |
| C3 | C4 | C5 | C6 | 171.4° | 180.0° |
| C3 | C4 | C5 | H51 | 46.2° | 60.0° |
| C3 | C4 | C5 | H52 | 63.3° | 60.1° |
| H31 | C3 | C4 | C5 | 64.8° | 59.9° |
| H31 | C3 | C4 | H41 | 170.0° | 180.0° |
| H31 | C3 | C4 | H42 | 60.4° | 60.0° |
| H32 | C3 | C4 | C5 | 44.6° | 60.0° |
| H32 | C3 | C4 | H41 | 80.6° | 60.0° |
| H32 | C3 | C4 | H42 | 169.8° | 180.0° |
| C5 | C4 | H41 | H42 | 117.3° | 119.9° |
| C4 | C5 | C6 | H51 | 125.3° | 120.0° |
| C4 | C5 | C6 | H52 | 125.3° | 120.0° |
| C4 | C5 | H51 | H52 | 117.2° | 120.0° |
| C4 | C5 | C6 | C7 | 174.1° | 180.0° |
| C4 | C5 | C6 | H61 | 60.6° | 60.0° |
| C4 | C5 | C6 | H62 | 48.9° | 60.0° |
| H41 | C4 | C5 | C6 | 63.3° | 59.9° |
| H41 | C4 | C5 | H51 | 171.5° | 179.9° |
| H41 | C4 | C5 | H52 | 62.0° | 60.0° |
| H42 | C4 | C5 | C6 | 46.1° | 60.0° |
| H42 | C4 | C5 | H51 | 79.1° | 60.0° |
| H42 | C4 | C5 | H52 | 171.4° | 179.9° |
| C6 | C5 | H51 | H52 | 117.1° | 119.9° |
| C5 | C6 | C7 | H61 | 125.3° | 120.0° |
| C5 | C6 | C7 | H62 | 125.3° | 120.0° |
| C5 | C6 | H61 | H62 | 116.5° | 120.0° |
| C5 | C6 | C7 | C8 | 78.8° | 180.0° |
| C5 | C6 | C7 | H71 | 156.0° | 60.0° |
| C5 | C6 | C7 | H72 | 46.5° | 60.0° |
| H51 | C5 | C6 | C7 | 48.8° | 60.0° |
| H51 | C5 | C6 | H61 | 174.1° | 180.0° |
| H51 | C5 | C6 | H62 | 76.4° | 60.1° |
| H52 | C5 | C6 | C7 | 60.6° | 60.0° |
| H52 | C5 | C6 | H61 | 64.7° | 60.0° |
| H52 | C5 | C6 | H62 | 174.2° | 180.0° |
| C7 | C6 | H61 | H62 | 116.3° | 120.0° |
| C6 | C7 | C8 | H71 | 125.3° | 120.0° |
| C6 | C7 | C8 | H72 | 125.3° | 120.1° |
| C6 | C7 | H71 | H72 | 116.8° | 120.0° |
| C6 | C7 | C8 | C9 | 163.8° | 180.0° |
| C6 | C7 | C8 | H81 | 70.9° | 60.0° |
| C6 | C7 | C8 | H82 | 38.6° | 60.0° |
| H61 | C6 | C7 | C8 | 46.5° | 60.1° |
| H61 | C6 | C7 | H71 | 78.7° | 180.0° |
| H61 | C6 | C7 | H72 | 171.8° | 60.0° |
| H62 | C6 | C7 | C8 | 155.9° | 59.9° |
| H62 | C6 | C7 | H71 | 30.6° | 60.0° |
| H62 | C6 | C7 | H72 | 78.8° | 180.0° |
| C8 | C7 | H71 | H72 | 116.7° | 120.0° |
| C7 | C8 | C9 | H81 | 125.3° | 119.9° |
| C7 | C8 | C9 | H82 | 125.2° | 120.0° |
| C7 | C8 | H81 | H82 | 116.7° | 120.0° |
| C7 | C8 | C9 | C10 | 176.0° | 180.0° |
| C7 | C8 | C9 | H91 | 58.7° | 60.0° |
| C7 | C8 | C9 | H92 | 50.8° | 59.9° |
| H71 | C7 | C8 | C9 | 38.6° | 60.0° |
| H71 | C7 | C8 | H81 | 163.8° | 180.0° |
| H71 | C7 | C8 | H82 | 86.6° | 60.0° |
| H72 | C7 | C8 | C9 | 70.9° | 59.9° |
| H72 | C7 | C8 | H81 | 54.4° | 60.0° |
| H72 | C7 | C8 | H82 | 163.9° | 180.0° |
| C9 | C8 | H81 | H82 | 116.7° | 120.0° |
| C8 | C9 | C10 | H91 | 125.3° | 120.0° |
| C8 | C9 | C10 | H92 | 125.3° | 120.1° |
| C8 | C9 | H91 | H92 | 117.6° | 120.0° |
| C8 | C9 | C10 | CA2 | 161.1° | 180.0° |
| C8 | C9 | C10 | H101 | 73.7° | 60.0° |
| C8 | C9 | C10 | H102 | 35.8° | 59.9° |
| H81 | C8 | C9 | C10 | 50.8° | 60.1° |
| H81 | C8 | C9 | H91 | 176.1° | 180.0° |
| H81 | C8 | C9 | H92 | 74.5° | 60.0° |
| H82 | C8 | C9 | C10 | 58.7° | 60.0° |
| H82 | C8 | C9 | H91 | 66.6° | 60.0° |
| H82 | C8 | C9 | H92 | 176.0° | 180.0° |
| C10 | C9 | H91 | H92 | 117.5° | 120.0° |
| C9 | C10 | CA2 | H101 | 125.3° | 120.0° |
| C9 | C10 | CA2 | H102 | 125.3° | 120.1° |
| C9 | C10 | H101 | H102 | 116.4° | 120.0° |
| C9 | C10 | CA2 | C | 91.2° | 180.0° |
| C9 | C10 | CA2 | HA21 | 143.5° | 60.0° |
| C9 | C10 | CA2 | HA22 | 34.0° | 59.9° |
| H91 | C9 | C10 | CA2 | 35.7° | 60.0° |
| H91 | C9 | C10 | H101 | 161.0° | 180.0° |
| H91 | C9 | C10 | H102 | 89.5° | 60.1° |
| H92 | C9 | C10 | CA2 | 73.6° | 59.9° |
| H92 | C9 | C10 | H101 | 51.6° | 60.1° |
| H92 | C9 | C10 | H102 | 161.1° | 180.0° |
| CA2 | C10 | H101 | H102 | 116.3° | 119.9° |
| C10 | CA2 | C | HA21 | 125.3° | 120.1° |
| C10 | CA2 | C | HA22 | 125.3° | 120.0° |
| C10 | CA2 | HA21 | HA22 | 116.3° | 119.9° |
| C10 | CA2 | C | O | 133.8° | 0.1° |
| C10 | CA2 | C | OXT | 46.2° | 180.0° |
| H101 | C10 | CA2 | C | 34.0° | 60.0° |
| H101 | C10 | CA2 | HA21 | 91.3° | 180.0° |
| H101 | C10 | CA2 | HA22 | 159.3° | 60.1° |
| H102 | C10 | CA2 | C | 143.5° | 59.9° |
| H102 | C10 | CA2 | HA21 | 18.2° | 60.1° |
| H102 | C10 | CA2 | HA22 | 91.2° | 180.0° |
| C | CA2 | HA21 | HA22 | 116.3° | 119.9° |
| CA2 | C | O | OXT | 180.0° | 179.9° |
| CA2 | C | OXT | HXT | 180.0° | 180.0° |
| HA21 | CA2 | C | O | 8.5° | 120.0° |
| HA21 | CA2 | C | OXT | 171.5° | 59.9° |
| HA22 | CA2 | C | O | 100.9° | 120.1° |
| HA22 | CA2 | C | OXT | 79.1° | 60.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
