NNV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O13 | C12 | doub | 1.21Å | 1.30Å | |
| O14 | C12 | sing | 1.34Å | 1.29Å | |
| C12 | C11 | sing | 1.51Å | 1.56Å | |
| C11 | C09 | sing | 1.53Å | 1.48Å | |
| C11 | C10 | sing | 1.53Å | 1.49Å | |
| C09 | C08 | sing | 1.50Å | 1.45Å | |
| C08 | C07 | doub | 1.33Å | 1.45Å | |
| C10 | N17 | sing | 1.47Å | 1.38Å | |
| C10 | C06 | sing | 1.52Å | 1.40Å | |
| N17 | C15 | sing | 1.40Å | 1.35Å | |
| C07 | C06 | sing | 1.46Å | 1.46Å | |
| O20 | C18 | doub | 1.21Å | 1.29Å | |
| C06 | N05 | doub | 1.30Å | 1.43Å | |
| C15 | C16 | sing | 1.47Å | 1.49Å | |
| C15 | C04 | doub | 1.36Å | 1.44Å | |
| C16 | C01 | doub | 1.33Å | 1.46Å | |
| N05 | C04 | sing | 1.34Å | 1.43Å | |
| C04 | C03 | sing | 1.51Å | 1.49Å | |
| C18 | C03 | sing | 1.51Å | 1.49Å | |
| C18 | O19 | sing | 1.34Å | 1.27Å | |
| C01 | C02 | sing | 1.50Å | 1.45Å | |
| C03 | C02 | sing | 1.53Å | 1.52Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| O14 | H1 | sing | 0.97Å | 0.95Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| N17 | H171 | sing | 0.97Å | 1.00Å | |
| O19 | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O13 | C12 | O14 | 115.6° | 120.0° |
| O13 | C12 | C11 | 120.0° | 120.0° |
| O14 | C12 | C11 | 124.4° | 120.0° |
| C12 | O14 | H1 | 109.5° | 117.0° |
| C12 | C11 | C09 | 111.0° | 109.5° |
| C12 | C11 | C10 | 109.2° | 109.5° |
| C12 | C11 | H111 | 106.2° | 109.6° |
| C09 | C11 | C10 | 116.1° | 109.0° |
| C11 | C09 | C08 | 116.7° | 111.6° |
| C11 | C09 | H092 | 107.7° | 109.0° |
| C11 | C09 | H091 | 107.6° | 109.0° |
| C09 | C11 | H111 | 107.0° | 109.6° |
| C11 | C10 | N17 | 122.3° | 108.9° |
| C11 | C10 | C06 | 121.0° | 105.4° |
| C11 | C10 | H101 | 91.2° | 109.0° |
| C10 | C11 | H111 | 106.8° | 109.6° |
| C09 | C08 | C07 | 123.0° | 123.3° |
| C09 | C08 | H081 | 118.5° | 118.4° |
| C08 | C09 | H092 | 107.6° | 109.0° |
| C08 | C09 | H091 | 107.6° | 109.1° |
| C08 | C07 | C06 | 117.0° | 119.6° |
| C08 | C07 | H071 | 121.5° | 120.2° |
| C07 | C08 | H081 | 118.5° | 118.3° |
| N17 | C10 | C06 | 116.5° | 116.2° |
| C10 | N17 | C15 | 125.3° | 116.9° |
| N17 | C10 | H101 | 91.2° | 108.6° |
| C10 | N17 | H171 | 105.4° | 121.5° |
| C10 | C06 | C07 | 121.0° | 118.0° |
| C10 | C06 | N05 | 120.6° | 119.0° |
| C06 | C10 | H101 | 91.2° | 108.6° |
| N17 | C15 | C16 | 119.8° | 119.1° |
| N17 | C15 | C04 | 119.5° | 121.2° |
| C15 | N17 | H171 | 105.4° | 121.6° |
| C07 | C06 | N05 | 118.3° | 122.9° |
| C06 | C07 | H071 | 121.5° | 120.2° |
| O20 | C18 | C03 | 120.4° | 120.0° |
| O20 | C18 | O19 | 125.3° | 120.0° |
| C06 | N05 | C04 | 119.8° | 122.9° |
| C16 | C15 | C04 | 120.7° | 119.7° |
| C15 | C16 | C01 | 116.0° | 119.9° |
| C15 | C16 | H161 | 122.0° | 120.0° |
| C15 | C04 | N05 | 117.1° | 122.8° |
| C15 | C04 | C03 | 124.3° | 119.0° |
| C16 | C01 | C02 | 124.1° | 120.3° |
| C16 | C01 | H011 | 118.0° | 119.8° |
| C01 | C16 | H161 | 122.0° | 120.1° |
| N05 | C04 | C03 | 118.1° | 118.3° |
| C04 | C03 | C18 | 111.9° | 109.3° |
| C04 | C03 | C02 | 114.5° | 109.8° |
| C04 | C03 | H031 | 105.9° | 109.4° |
| C03 | C18 | O19 | 114.3° | 120.0° |
| C18 | C03 | C02 | 112.3° | 109.4° |
| C18 | C03 | H031 | 105.8° | 109.4° |
| C18 | O19 | H2 | 109.5° | 117.0° |
| C01 | C02 | C03 | 120.2° | 110.0° |
| C02 | C01 | H011 | 117.9° | 119.9° |
| C01 | C02 | H022 | 106.7° | 109.4° |
| C01 | C02 | H021 | 106.8° | 109.4° |
| C03 | C02 | H022 | 106.7° | 109.4° |
| C03 | C02 | H021 | 106.7° | 109.2° |
| C02 | C03 | H031 | 105.6° | 109.4° |
| H022 | C02 | H021 | 109.5° | 109.4° |
| H092 | C09 | H091 | 109.5° | 109.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O13 | C12 | O14 | C11 | 177.9° | 180.0° |
| O13 | C12 | C11 | C09 | 64.4° | 120.0° |
| O13 | C12 | C11 | C10 | 166.3° | 0.5° |
| O13 | C12 | C11 | H111 | 51.5° | 119.8° |
| O13 | C12 | O14 | H1 | 0.0° | 0.0° |
| O14 | C12 | C11 | C09 | 117.7° | 60.0° |
| O14 | C12 | C11 | C10 | 11.5° | 179.5° |
| O14 | C12 | C11 | H111 | 126.3° | 60.2° |
| C12 | C11 | C09 | C10 | 125.5° | 119.8° |
| C12 | C11 | C09 | H111 | 115.4° | 120.3° |
| C12 | C11 | C10 | H111 | 114.4° | 120.3° |
| C12 | C11 | C09 | C08 | 98.9° | 171.1° |
| C12 | C11 | C10 | N17 | 78.4° | 51.0° |
| C12 | C11 | C10 | C06 | 105.9° | 176.3° |
| C12 | C11 | C09 | H092 | 22.1° | 68.4° |
| C12 | C11 | C09 | H091 | 140.1° | 50.6° |
| C12 | C11 | C10 | H101 | 13.8° | 67.2° |
| C11 | C12 | O14 | H1 | 177.9° | 180.0° |
| C09 | C11 | C10 | H111 | 119.2° | 119.9° |
| C11 | C09 | C08 | H092 | 121.1° | 120.5° |
| C11 | C09 | C08 | H091 | 121.0° | 120.6° |
| C11 | C09 | C08 | C07 | 16.1° | 18.9° |
| C09 | C11 | C10 | N17 | 155.2° | 170.8° |
| C09 | C11 | C10 | C06 | 20.5° | 63.9° |
| C11 | C09 | C08 | H081 | 164.0° | 161.1° |
| C11 | C09 | H092 | H091 | 116.7° | 118.9° |
| C09 | C11 | C10 | H101 | 112.6° | 52.5° |
| C10 | C11 | C09 | C08 | 26.6° | 51.3° |
| C11 | C10 | N17 | C06 | 175.8° | 118.8° |
| C11 | C10 | N17 | H101 | 92.2° | 118.5° |
| C11 | C10 | C06 | H101 | 92.1° | 116.7° |
| C11 | C10 | N17 | C15 | 173.0° | 128.8° |
| C11 | C10 | C06 | C07 | 2.2° | 47.5° |
| C11 | C10 | C06 | N05 | 173.1° | 131.6° |
| C10 | C11 | C09 | H092 | 147.6° | 171.8° |
| C10 | C11 | C09 | H091 | 94.4° | 69.2° |
| C11 | C10 | N17 | H171 | 64.8° | 51.2° |
| C09 | C08 | C07 | H081 | 180.0° | 180.0° |
| C09 | C08 | C07 | C06 | 2.2° | 0.6° |
| C09 | C08 | C07 | H071 | 177.8° | 179.4° |
| C08 | C09 | H092 | H091 | 116.7° | 119.0° |
| C08 | C09 | C11 | H111 | 145.7° | 68.6° |
| C08 | C07 | C06 | C10 | 9.4° | 16.3° |
| C08 | C07 | C06 | H071 | 180.0° | 180.0° |
| C08 | C07 | C06 | N05 | 175.2° | 162.7° |
| C07 | C08 | C09 | H092 | 137.1° | 139.4° |
| C07 | C08 | C09 | H091 | 105.0° | 101.6° |
| N17 | C10 | C06 | H101 | 92.0° | 122.7° |
| C10 | N17 | C15 | H171 | 122.1° | 179.9° |
| N17 | C10 | C06 | C07 | 173.7° | 168.1° |
| N17 | C10 | C06 | N05 | 11.0° | 11.0° |
| C10 | N17 | C15 | C16 | 176.6° | 175.9° |
| C10 | N17 | C15 | C04 | 3.0° | 3.2° |
| N17 | C10 | C11 | H111 | 36.0° | 69.3° |
| C06 | C10 | N17 | C15 | 11.1° | 10.0° |
| C10 | C06 | C07 | N05 | 175.4° | 179.0° |
| C10 | C06 | N05 | C04 | 3.5° | 4.5° |
| C10 | C06 | C07 | H071 | 170.6° | 163.7° |
| C06 | C10 | C11 | H111 | 139.7° | 56.0° |
| C06 | C10 | N17 | H171 | 111.0° | 170.0° |
| N17 | C15 | C16 | C04 | 179.6° | 179.1° |
| N17 | C15 | C16 | C01 | 179.9° | 161.8° |
| N17 | C15 | C04 | N05 | 5.1° | 3.9° |
| N17 | C15 | C04 | C03 | 177.3° | 177.4° |
| C15 | N17 | C10 | H101 | 80.9° | 112.6° |
| N17 | C15 | C16 | H161 | 0.1° | 17.6° |
| C07 | C06 | N05 | C04 | 178.9° | 174.6° |
| C06 | C07 | C08 | H081 | 177.8° | 179.4° |
| C07 | C06 | C10 | H101 | 94.3° | 69.2° |
| O20 | C18 | C03 | C04 | 34.4° | 0.3° |
| O20 | C18 | C03 | O19 | 177.4° | 180.0° |
| O20 | C18 | C03 | C02 | 96.1° | 120.0° |
| O20 | C18 | C03 | H031 | 149.2° | 120.1° |
| O20 | C18 | O19 | H2 | 0.0° | 0.1° |
| C06 | N05 | C04 | C15 | 4.7° | 3.2° |
| C06 | N05 | C04 | C03 | 177.4° | 178.1° |
| N05 | C06 | C07 | H071 | 4.8° | 17.3° |
| N05 | C06 | C10 | H101 | 81.0° | 111.7° |
| C15 | C16 | C01 | H161 | 180.0° | 179.5° |
| C16 | C15 | C04 | N05 | 175.3° | 177.0° |
| C16 | C15 | C04 | C03 | 3.1° | 1.7° |
| C15 | C16 | C01 | C02 | 3.5° | 0.5° |
| C15 | C16 | C01 | H011 | 176.5° | 179.8° |
| C16 | C15 | N17 | H171 | 61.3° | 4.0° |
| C04 | C15 | C16 | C01 | 0.4° | 19.0° |
| C15 | C04 | N05 | C03 | 172.7° | 178.7° |
| C15 | C04 | C03 | C18 | 131.3° | 83.3° |
| C15 | C04 | C03 | C02 | 2.0° | 36.8° |
| C15 | C04 | C03 | H031 | 113.9° | 156.9° |
| C04 | C15 | C16 | H161 | 179.7° | 161.5° |
| C04 | C15 | N17 | H171 | 119.1° | 176.8° |
| C16 | C01 | C02 | H011 | 180.0° | 179.7° |
| C16 | C01 | C02 | C03 | 4.7° | 35.0° |
| C16 | C01 | C02 | H022 | 116.8° | 85.2° |
| C16 | C01 | C02 | H021 | 126.2° | 155.0° |
| N05 | C04 | C03 | C18 | 56.6° | 98.0° |
| N05 | C04 | C03 | C02 | 174.1° | 142.0° |
| N05 | C04 | C03 | H031 | 58.2° | 21.9° |
| C04 | C03 | C18 | C02 | 130.4° | 120.3° |
| C04 | C03 | C18 | H031 | 114.8° | 119.8° |
| C04 | C03 | C18 | O19 | 148.3° | 179.7° |
| C04 | C03 | C02 | C01 | 1.8° | 51.2° |
| C04 | C03 | C02 | H031 | 116.0° | 120.1° |
| C04 | C03 | C02 | H022 | 119.7° | 68.9° |
| C04 | C03 | C02 | H021 | 123.3° | 171.4° |
| C18 | C03 | C02 | C01 | 127.3° | 68.8° |
| C18 | C03 | C02 | H031 | 114.9° | 119.9° |
| C18 | C03 | C02 | H022 | 111.2° | 171.1° |
| C18 | C03 | C02 | H021 | 5.7° | 51.4° |
| C03 | C18 | O19 | H2 | 177.2° | 180.0° |
| O19 | C18 | C03 | C02 | 81.3° | 60.1° |
| O19 | C18 | C03 | H031 | 33.4° | 59.8° |
| C01 | C02 | C03 | H022 | 121.5° | 120.1° |
| C01 | C02 | C03 | H021 | 121.5° | 120.2° |
| C01 | C02 | H022 | H021 | 115.2° | 119.9° |
| C01 | C02 | C03 | H031 | 117.8° | 171.3° |
| C02 | C01 | C16 | H161 | 176.4° | 180.0° |
| C03 | C02 | C01 | H011 | 175.3° | 144.7° |
| C03 | C02 | H022 | H021 | 115.1° | 119.6° |
| H011 | C01 | C02 | H022 | 63.1° | 95.1° |
| H011 | C01 | C02 | H021 | 53.8° | 24.7° |
| H011 | C01 | C16 | H161 | 3.5° | 0.3° |
| H022 | C02 | C03 | H031 | 3.7° | 51.2° |
| H021 | C02 | C03 | H031 | 120.6° | 68.5° |
| H071 | C07 | C08 | H081 | 2.2° | 0.6° |
| H081 | C08 | C09 | H092 | 42.9° | 40.6° |
| H081 | C08 | C09 | H091 | 75.0° | 78.4° |
| H092 | C09 | C11 | H111 | 93.3° | 51.9° |
| H091 | C09 | C11 | H111 | 24.7° | 170.8° |
| H101 | C10 | C11 | H111 | 128.1° | 172.5° |
| H101 | C10 | N17 | H171 | 157.0° | 67.3° |
