DV6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | sing | 1.47Å | 1.46Å | |
| C04 | N02 | sing | 1.47Å | 1.54Å | |
| N02 | C03 | sing | 1.47Å | 1.57Å | |
| N02 | C05 | sing | 1.47Å | 1.52Å | |
| C09 | C05 | sing | 1.53Å | 1.53Å | |
| C09 | C10 | sing | 1.51Å | 1.43Å | |
| C05 | C06 | sing | 1.51Å | 1.57Å | |
| C10 | N23 | sing | 1.40Å | 1.37Å | |
| C10 | C11 | doub | 1.32Å | 1.42Å | |
| N23 | C13 | sing | 1.47Å | 1.40Å | |
| S15 | S14 | sing | 2.05Å | 2.18Å | |
| O07 | C06 | doub | 1.21Å | 1.28Å | |
| C06 | O08 | sing | 1.34Å | 1.26Å | |
| C11 | N12 | sing | 1.40Å | 1.45Å | |
| C13 | N12 | sing | 1.47Å | 1.48Å | |
| C13 | S14 | sing | 1.81Å | 1.93Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H2 | sing | 1.09Å | 1.10Å | |
| C01 | H3 | sing | 1.09Å | 1.10Å | |
| C03 | H4 | sing | 1.09Å | 1.10Å | |
| C03 | H5 | sing | 1.09Å | 1.10Å | |
| C03 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C04 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.09Å | 1.10Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| O08 | H15 | sing | 0.97Å | 0.95Å | |
| C11 | H16 | sing | 1.08Å | 1.08Å | |
| N12 | H18 | sing | 0.97Å | 1.00Å | |
| S15 | H20 | sing | 1.35Å | 1.30Å | |
| N23 | H21 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | N02 | C04 | 108.4° | 109.5° |
| C01 | N02 | C03 | 105.8° | 109.5° |
| C01 | N02 | C05 | 106.4° | 109.5° |
| N02 | C01 | H1 | 109.5° | 109.5° |
| N02 | C01 | H2 | 109.5° | 109.5° |
| N02 | C01 | H3 | 109.4° | 109.5° |
| C04 | N02 | C03 | 107.7° | 109.4° |
| C04 | N02 | C05 | 116.4° | 109.4° |
| N02 | C04 | H7 | 109.5° | 109.5° |
| N02 | C04 | H8 | 109.4° | 109.4° |
| N02 | C04 | H9 | 109.5° | 109.5° |
| C03 | N02 | C05 | 111.6° | 109.5° |
| N02 | C03 | H4 | 109.5° | 109.5° |
| N02 | C03 | H5 | 109.5° | 109.5° |
| N02 | C03 | H6 | 109.4° | 109.4° |
| N02 | C05 | C09 | 117.3° | 109.5° |
| N02 | C05 | C06 | 112.0° | 109.5° |
| N02 | C05 | H10 | 107.5° | 109.5° |
| C05 | C09 | C10 | 112.1° | 109.5° |
| C09 | C05 | C06 | 105.2° | 109.4° |
| C09 | C05 | H10 | 107.5° | 109.5° |
| C05 | C09 | H11 | 108.8° | 109.4° |
| C05 | C09 | H12 | 108.8° | 109.5° |
| C09 | C10 | N23 | 120.4° | 124.4° |
| C09 | C10 | C11 | 131.1° | 124.4° |
| C10 | C09 | H11 | 108.8° | 109.5° |
| C10 | C09 | H12 | 108.8° | 109.5° |
| C05 | C06 | O07 | 115.7° | 120.0° |
| C05 | C06 | O08 | 117.0° | 120.0° |
| C06 | C05 | H10 | 106.9° | 109.4° |
| N23 | C10 | C11 | 108.2° | 111.2° |
| C10 | N23 | C13 | 104.5° | 106.7° |
| C10 | N23 | H21 | 110.7° | 126.7° |
| C10 | C11 | N12 | 103.6° | 111.1° |
| C10 | C11 | H16 | 128.2° | 124.5° |
| N23 | C13 | N12 | 98.7° | 104.4° |
| N23 | C13 | S14 | 106.5° | 110.7° |
| N23 | C13 | H14 | 114.9° | 110.3° |
| C13 | N23 | H21 | 110.7° | 126.7° |
| S15 | S14 | C13 | 102.1° | 103.0° |
| S14 | S15 | H20 | 102.0° | 103.1° |
| O07 | C06 | O08 | 127.3° | 120.0° |
| C06 | O08 | H15 | 109.5° | 117.0° |
| C11 | N12 | C13 | 100.8° | 106.6° |
| N12 | C11 | H16 | 128.2° | 124.4° |
| C11 | N12 | H18 | 111.6° | 126.7° |
| N12 | C13 | S14 | 115.4° | 110.4° |
| N12 | C13 | H14 | 113.4° | 110.5° |
| C13 | N12 | H18 | 111.6° | 126.7° |
| S14 | C13 | H14 | 107.7° | 110.4° |
| H1 | C01 | H2 | 109.4° | 109.5° |
| H1 | C01 | H3 | 109.5° | 109.5° |
| H2 | C01 | H3 | 109.5° | 109.5° |
| H4 | C03 | H5 | 109.4° | 109.5° |
| H4 | C03 | H6 | 109.5° | 109.5° |
| H5 | C03 | H6 | 109.5° | 109.5° |
| H7 | C04 | H8 | 109.5° | 109.4° |
| H7 | C04 | H9 | 109.5° | 109.5° |
| H8 | C04 | H9 | 109.4° | 109.5° |
| H11 | C09 | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | N02 | C04 | C03 | 114.1° | 120.0° |
| C01 | N02 | C04 | C05 | 119.8° | 120.0° |
| C01 | N02 | C03 | C05 | 115.3° | 120.0° |
| C01 | N02 | C05 | C09 | 78.6° | 55.5° |
| C01 | N02 | C05 | C06 | 159.6° | 64.5° |
| N02 | C01 | H1 | H2 | 120.0° | 120.0° |
| N02 | C01 | H1 | H3 | 120.0° | 120.0° |
| N02 | C01 | H2 | H3 | 120.0° | 120.0° |
| C01 | N02 | C03 | H4 | 180.0° | 84.1° |
| C01 | N02 | C03 | H5 | 60.0° | 155.9° |
| C01 | N02 | C03 | H6 | 60.0° | 35.8° |
| C01 | N02 | C04 | H7 | 180.0° | 43.8° |
| C01 | N02 | C04 | H8 | 60.0° | 163.7° |
| C01 | N02 | C04 | H9 | 60.0° | 76.2° |
| C01 | N02 | C05 | H10 | 42.5° | 175.6° |
| C04 | N02 | C03 | C05 | 128.9° | 120.0° |
| C04 | N02 | C05 | C09 | 42.2° | 64.5° |
| C04 | N02 | C05 | C06 | 79.5° | 175.5° |
| C04 | N02 | C01 | H1 | 180.0° | 58.2° |
| C04 | N02 | C01 | H2 | 60.0° | 178.2° |
| C04 | N02 | C01 | H3 | 60.0° | 61.8° |
| C04 | N02 | C03 | H4 | 64.2° | 35.9° |
| C04 | N02 | C03 | H5 | 55.8° | 84.1° |
| C04 | N02 | C03 | H6 | 175.8° | 155.9° |
| N02 | C04 | H7 | H8 | 120.0° | 120.0° |
| N02 | C04 | H7 | H9 | 120.0° | 120.0° |
| N02 | C04 | H8 | H9 | 120.0° | 120.0° |
| C04 | N02 | C05 | H10 | 163.3° | 55.5° |
| C03 | N02 | C05 | C09 | 166.4° | 175.5° |
| C03 | N02 | C05 | C06 | 44.6° | 55.6° |
| C03 | N02 | C01 | H1 | 64.6° | 61.8° |
| C03 | N02 | C01 | H2 | 55.3° | 58.2° |
| C03 | N02 | C01 | H3 | 175.4° | 178.2° |
| N02 | C03 | H4 | H5 | 120.0° | 120.0° |
| N02 | C03 | H4 | H6 | 120.0° | 119.9° |
| N02 | C03 | H5 | H6 | 120.0° | 119.9° |
| C03 | N02 | C04 | H7 | 65.9° | 163.8° |
| C03 | N02 | C04 | H8 | 174.1° | 76.2° |
| C03 | N02 | C04 | H9 | 54.1° | 43.8° |
| C03 | N02 | C05 | H10 | 72.5° | 64.4° |
| N02 | C05 | C09 | C06 | 125.2° | 120.0° |
| N02 | C05 | C09 | H10 | 121.2° | 120.1° |
| N02 | C05 | C09 | C10 | 161.4° | 69.7° |
| N02 | C05 | C06 | H10 | 117.5° | 120.0° |
| N02 | C05 | C06 | O07 | 58.6° | 16.2° |
| N02 | C05 | C06 | O08 | 122.8° | 163.8° |
| C05 | N02 | C01 | H1 | 54.2° | 178.2° |
| C05 | N02 | C01 | H2 | 174.2° | 61.8° |
| C05 | N02 | C01 | H3 | 65.8° | 58.2° |
| C05 | N02 | C03 | H4 | 64.7° | 155.9° |
| C05 | N02 | C03 | H5 | 175.3° | 35.8° |
| C05 | N02 | C03 | H6 | 55.3° | 84.2° |
| C05 | N02 | C04 | H7 | 60.2° | 76.2° |
| C05 | N02 | C04 | H8 | 59.8° | 43.7° |
| C05 | N02 | C04 | H9 | 179.8° | 163.8° |
| N02 | C05 | C09 | H11 | 41.0° | 50.3° |
| N02 | C05 | C09 | H12 | 78.2° | 170.3° |
| C05 | C09 | C10 | H11 | 120.4° | 120.0° |
| C05 | C09 | C10 | H12 | 120.4° | 120.1° |
| C09 | C05 | C06 | H10 | 114.1° | 119.9° |
| C05 | C09 | C10 | N23 | 55.6° | 50.1° |
| C05 | C09 | C10 | C11 | 117.4° | 130.2° |
| C09 | C05 | C06 | O07 | 69.9° | 103.8° |
| C09 | C05 | C06 | O08 | 108.8° | 76.2° |
| C05 | C09 | H11 | H12 | 118.8° | 120.0° |
| C10 | C09 | C05 | C06 | 73.4° | 170.3° |
| C09 | C10 | N23 | C11 | 174.5° | 179.8° |
| C09 | C10 | N23 | C13 | 146.2° | 179.8° |
| C09 | C10 | C11 | N12 | 176.3° | 180.0° |
| C10 | C09 | C05 | H10 | 40.3° | 50.4° |
| C10 | C09 | H11 | H12 | 118.8° | 120.0° |
| C09 | C10 | C11 | H16 | 3.7° | 0.0° |
| C09 | C10 | N23 | H21 | 27.0° | 0.0° |
| C05 | C06 | O07 | O08 | 178.4° | 180.0° |
| C06 | C05 | C09 | H11 | 166.2° | 69.7° |
| C06 | C05 | C09 | H12 | 47.0° | 50.3° |
| C05 | C06 | O08 | H15 | 178.4° | 180.0° |
| C10 | N23 | C13 | H21 | 119.2° | 179.8° |
| N23 | C10 | C11 | N12 | 2.7° | 0.2° |
| C10 | N23 | C13 | N12 | 46.0° | 0.4° |
| C10 | N23 | C13 | S14 | 165.8° | 118.4° |
| N23 | C10 | C09 | H11 | 64.8° | 170.1° |
| N23 | C10 | C09 | H12 | 176.0° | 70.0° |
| C10 | N23 | C13 | H14 | 75.0° | 119.1° |
| N23 | C10 | C11 | H16 | 177.3° | 179.7° |
| C11 | C10 | N23 | C13 | 28.2° | 0.4° |
| C10 | C11 | N12 | H16 | 180.0° | 180.0° |
| C10 | C11 | N12 | C13 | 30.2° | 0.0° |
| C11 | C10 | C09 | H11 | 122.2° | 10.2° |
| C11 | C10 | C09 | H12 | 2.9° | 109.7° |
| C10 | C11 | N12 | H18 | 88.4° | 179.7° |
| C11 | C10 | N23 | H21 | 147.5° | 179.8° |
| N23 | C13 | S14 | S15 | 55.2° | 173.4° |
| N23 | C13 | N12 | C11 | 46.5° | 0.3° |
| N23 | C13 | N12 | S14 | 113.0° | 119.0° |
| N23 | C13 | N12 | H14 | 122.1° | 118.6° |
| N23 | C13 | S14 | H14 | 123.8° | 122.4° |
| N23 | C13 | N12 | H18 | 72.1° | 180.0° |
| S15 | S14 | C13 | N12 | 53.2° | 71.5° |
| S15 | S14 | C13 | H14 | 179.0° | 51.0° |
| O07 | C06 | C05 | H10 | 176.1° | 136.2° |
| O07 | C06 | O08 | H15 | 0.0° | 0.0° |
| O08 | C06 | C05 | H10 | 5.3° | 43.7° |
| C11 | N12 | C13 | H18 | 118.6° | 179.7° |
| C11 | N12 | C13 | S14 | 159.5° | 118.7° |
| C11 | N12 | C13 | H14 | 75.6° | 118.9° |
| N12 | C13 | S14 | H14 | 127.8° | 122.4° |
| C13 | N12 | C11 | H16 | 149.8° | 180.0° |
| N12 | C13 | N23 | H21 | 165.2° | 179.8° |
| S14 | C13 | N12 | H18 | 40.8° | 61.0° |
| C13 | S14 | S15 | H20 | 180.0° | 180.0° |
| S14 | C13 | N23 | H21 | 75.0° | 61.4° |
| H1 | C01 | H2 | H3 | 120.0° | 120.0° |
| H4 | C03 | H5 | H6 | 120.0° | 120.0° |
| H7 | C04 | H8 | H9 | 120.0° | 120.0° |
| H10 | C05 | C09 | H11 | 80.1° | 170.4° |
| H10 | C05 | C09 | H12 | 160.6° | 69.6° |
| H14 | C13 | N12 | H18 | 165.8° | 61.4° |
| H14 | C13 | N23 | H21 | 44.2° | 61.1° |
| H16 | C11 | N12 | H18 | 91.6° | 0.3° |
