0MU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O9 | C8 | doub | 1.21Å | 1.15Å | |
| C13 | C11 | sing | 1.51Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| N10 | C11 | sing | 1.35Å | 1.37Å | |
| N10 | C7 | sing | 1.46Å | 1.45Å | |
| C11 | O12 | doub | 1.21Å | 1.20Å | |
| C14 | C15 | sing | 1.53Å | 1.56Å | |
| C7 | C6 | sing | 1.53Å | 1.54Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| O4A | C4' | doub | 1.21Å | 1.22Å | |
| N5 | C6 | sing | 1.46Å | 1.47Å | |
| N5 | C4 | doub | 1.25Å | 1.27Å | |
| O4B | C4' | sing | 1.35Å | 1.34Å | |
| O19 | C18 | doub | 1.21Å | 1.34Å | |
| C6 | S1 | sing | 1.82Å | 1.78Å | |
| C4' | C4 | sing | 1.48Å | 1.51Å | |
| C18 | O20 | sing | 1.34Å | 1.17Å | |
| C18 | C16 | sing | 1.51Å | 1.55Å | |
| C16 | N17 | sing | 1.47Å | 1.49Å | |
| C4 | C3 | sing | 1.49Å | 1.48Å | |
| S1 | C2 | sing | 1.82Å | 1.83Å | |
| C3 | C2 | sing | 1.53Å | 1.54Å | |
| C3 | C3' | sing | 1.53Å | 1.36Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C3' | H3 | sing | 1.09Å | 1.10Å | |
| C3' | H4 | sing | 1.09Å | 1.10Å | |
| O4B | H6 | sing | 0.97Å | 0.95Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| C7 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| N10 | H12 | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| N17 | H20 | sing | 1.01Å | 1.00Å | |
| N17 | H21 | sing | 1.01Å | 1.00Å | |
| O20 | H23 | sing | 0.97Å | 0.95Å | |
| O3 | C3' | sing | 1.45Å | 48.61Å | |
| O3 | C12 | sing | 1.34Å | 0.00Å | |
| C12 | O1 | doub | 1.21Å | 0.00Å | |
| C12 | C1 | sing | 1.51Å | 0.00Å | |
| C1 | H2 | sing | 1.09Å | 0.00Å | |
| C1 | H8 | sing | 1.09Å | 0.00Å | |
| C1 | H22 | sing | 1.09Å | 0.00Å | |
| C2 | H24 | sing | 1.09Å | 1.10Å | |
| C3 | H25 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O9 | C8 | C7 | 128.2° | 120.0° |
| O9 | C8 | H11 | 116.0° | 120.1° |
| C11 | C13 | C14 | 110.4° | 109.5° |
| C13 | C11 | N10 | 114.7° | 120.0° |
| C13 | C11 | O12 | 120.5° | 120.0° |
| C11 | C13 | H13 | 109.2° | 109.5° |
| C11 | C13 | H14 | 109.2° | 109.4° |
| C13 | C14 | C15 | 117.4° | 109.4° |
| C14 | C13 | H13 | 109.2° | 109.5° |
| C14 | C13 | H14 | 109.2° | 109.5° |
| C13 | C14 | H15 | 107.5° | 109.5° |
| C13 | C14 | H16 | 107.4° | 109.5° |
| C8 | C7 | N10 | 105.2° | 109.5° |
| C8 | C7 | C6 | 108.4° | 109.5° |
| C8 | C7 | H10 | 109.6° | 109.5° |
| C7 | C8 | H11 | 115.9° | 119.9° |
| C11 | N10 | C7 | 119.3° | 120.0° |
| N10 | C11 | O12 | 123.7° | 120.0° |
| C11 | N10 | H12 | 120.3° | 120.0° |
| N10 | C7 | C6 | 113.8° | 109.5° |
| N10 | C7 | H10 | 110.5° | 109.4° |
| C7 | N10 | H12 | 120.3° | 120.0° |
| C14 | C15 | C16 | 113.3° | 109.4° |
| C15 | C14 | H15 | 107.4° | 109.5° |
| C15 | C14 | H16 | 107.5° | 109.5° |
| C14 | C15 | H17 | 108.5° | 109.5° |
| C14 | C15 | H18 | 108.5° | 109.5° |
| C7 | C6 | N5 | 106.3° | 109.5° |
| C7 | C6 | S1 | 111.9° | 109.5° |
| C7 | C6 | H9 | 109.4° | 109.5° |
| C6 | C7 | H10 | 109.2° | 109.5° |
| C15 | C16 | C18 | 106.5° | 109.5° |
| C15 | C16 | N17 | 114.1° | 109.5° |
| C16 | C15 | H17 | 108.5° | 109.5° |
| C16 | C15 | H18 | 108.5° | 109.5° |
| C15 | C16 | H19 | 110.4° | 109.5° |
| O4A | C4' | O4B | 119.6° | 120.0° |
| O4A | C4' | C4 | 119.2° | 120.0° |
| C6 | N5 | C4 | 125.4° | 128.2° |
| N5 | C6 | S1 | 112.3° | 109.3° |
| N5 | C6 | H9 | 110.4° | 109.5° |
| N5 | C4 | C4' | 109.7° | 114.7° |
| N5 | C4 | C3 | 116.5° | 130.5° |
| O4B | C4' | C4 | 121.1° | 120.0° |
| C4' | O4B | H6 | 109.5° | 117.1° |
| O19 | C18 | O20 | 120.7° | 120.0° |
| O19 | C18 | C16 | 116.3° | 120.0° |
| C6 | S1 | C2 | 95.3° | 101.1° |
| S1 | C6 | H9 | 106.6° | 109.4° |
| C4' | C4 | C3 | 128.2° | 114.8° |
| O20 | C18 | C16 | 123.1° | 120.0° |
| C18 | O20 | H23 | 109.5° | 117.0° |
| C18 | C16 | N17 | 103.7° | 109.5° |
| C18 | C16 | H19 | 110.5° | 109.5° |
| N17 | C16 | H19 | 111.3° | 109.5° |
| C16 | N17 | H20 | 109.5° | 111.0° |
| C16 | N17 | H21 | 109.4° | 111.0° |
| C4 | C3 | C2 | 120.2° | 111.8° |
| C4 | C3 | C3' | 122.5° | 109.1° |
| C4 | C3 | H25 | 92.6° | 108.9° |
| S1 | C2 | C3 | 114.2° | 107.8° |
| S1 | C2 | H1 | 108.3° | 109.8° |
| S1 | C2 | H24 | 108.3° | 109.8° |
| C2 | C3 | C3' | 116.7° | 109.0° |
| C3 | C2 | H1 | 108.3° | 109.8° |
| C3 | C2 | H24 | 108.3° | 109.8° |
| C2 | C3 | H25 | 92.5° | 109.0° |
| C3 | C3' | H3 | 122.8° | 109.5° |
| C3 | C3' | H4 | 122.7° | 109.5° |
| C3 | C3' | O3 | 40.9° | 109.5° |
| C3' | C3 | H25 | 92.8° | 109.0° |
| H1 | C2 | H24 | 109.5° | 109.8° |
| H3 | C3' | H4 | 109.5° | 109.4° |
| H3 | C3' | O3 | 122.8° | 109.5° |
| H4 | C3' | O3 | 122.7° | 109.4° |
| H13 | C13 | H14 | 109.5° | 109.5° |
| H15 | C14 | H16 | 109.5° | 109.5° |
| H17 | C15 | H18 | 109.5° | 109.5° |
| H20 | N17 | H21 | 109.5° | 111.0° |
| C3' | O3 | C12 | 90.0° | 117.0° |
| O3 | C12 | O1 | 90.0° | 120.0° |
| O3 | C12 | C1 | 90.0° | 120.0° |
| O1 | C12 | C1 | 90.0° | 120.0° |
| C12 | C1 | H2 | 90.0° | 109.5° |
| C12 | C1 | H8 | 90.0° | 109.5° |
| C12 | C1 | H22 | 90.0° | 109.5° |
| H2 | C1 | H8 | 90.0° | 109.5° |
| H2 | C1 | H22 | 90.0° | 109.4° |
| H8 | C1 | H22 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O9 | C8 | C7 | H11 | 180.0° | 180.0° |
| O9 | C8 | C7 | N10 | 27.0° | 0.0° |
| O9 | C8 | C7 | C6 | 95.0° | 120.0° |
| O9 | C8 | C7 | H10 | 145.8° | 119.9° |
| C11 | C13 | C14 | H13 | 120.1° | 120.0° |
| C11 | C13 | C14 | H14 | 120.1° | 119.9° |
| C13 | C11 | N10 | O12 | 168.3° | 179.9° |
| C13 | C11 | N10 | C7 | 177.5° | 179.9° |
| C11 | C13 | C14 | C15 | 28.0° | 180.0° |
| C13 | C11 | N10 | H12 | 2.5° | 0.1° |
| C11 | C13 | H13 | H14 | 119.6° | 120.0° |
| C11 | C13 | C14 | H15 | 149.1° | 60.0° |
| C11 | C13 | C14 | H16 | 93.2° | 60.1° |
| C14 | C13 | C11 | N10 | 125.0° | 180.0° |
| C14 | C13 | C11 | O12 | 66.4° | 0.0° |
| C13 | C14 | C15 | H15 | 121.1° | 120.0° |
| C13 | C14 | C15 | H16 | 121.1° | 120.0° |
| C13 | C14 | C15 | C16 | 142.7° | 180.0° |
| C14 | C13 | H13 | H14 | 119.6° | 120.0° |
| C13 | C14 | H15 | H16 | 116.4° | 120.0° |
| C13 | C14 | C15 | H17 | 22.1° | 60.0° |
| C13 | C14 | C15 | H18 | 96.8° | 60.0° |
| C8 | C7 | N10 | C11 | 142.4° | 85.0° |
| C8 | C7 | N10 | C6 | 118.5° | 120.0° |
| C8 | C7 | N10 | H10 | 118.2° | 119.9° |
| C8 | C7 | C6 | H10 | 119.4° | 120.0° |
| C8 | C7 | C6 | N5 | 50.1° | 175.0° |
| C8 | C7 | C6 | S1 | 173.0° | 65.2° |
| C8 | C7 | C6 | H9 | 69.0° | 54.9° |
| C8 | C7 | N10 | H12 | 37.6° | 95.0° |
| C11 | N10 | C7 | H12 | 180.0° | 180.0° |
| C11 | N10 | C7 | C6 | 99.1° | 155.0° |
| C11 | N10 | C7 | H10 | 24.2° | 35.0° |
| N10 | C11 | C13 | H13 | 114.9° | 60.0° |
| N10 | C11 | C13 | H14 | 4.9° | 60.0° |
| C7 | N10 | C11 | O12 | 14.2° | 0.0° |
| N10 | C7 | C6 | H10 | 123.9° | 120.0° |
| N10 | C7 | C6 | N5 | 66.5° | 55.0° |
| N10 | C7 | C6 | S1 | 56.4° | 174.8° |
| N10 | C7 | C6 | H9 | 174.3° | 65.1° |
| N10 | C7 | C8 | H11 | 153.0° | 180.0° |
| O12 | C11 | N10 | H12 | 165.8° | 180.0° |
| O12 | C11 | C13 | H13 | 53.8° | 120.0° |
| O12 | C11 | C13 | H14 | 173.5° | 120.0° |
| C14 | C15 | C16 | H17 | 120.6° | 120.0° |
| C14 | C15 | C16 | H18 | 120.6° | 120.0° |
| C14 | C15 | C16 | C18 | 45.4° | 175.0° |
| C14 | C15 | C16 | N17 | 159.2° | 65.0° |
| C15 | C14 | C13 | H13 | 92.2° | 60.0° |
| C15 | C14 | C13 | H14 | 148.1° | 60.0° |
| C15 | C14 | H15 | H16 | 116.4° | 120.0° |
| C14 | C15 | H17 | H18 | 118.3° | 120.0° |
| C14 | C15 | C16 | H19 | 74.5° | 55.0° |
| C7 | C6 | N5 | S1 | 122.6° | 120.0° |
| C7 | C6 | N5 | H9 | 118.5° | 120.1° |
| C7 | C6 | N5 | C4 | 178.8° | 138.5° |
| C7 | C6 | S1 | H9 | 119.5° | 120.1° |
| C7 | C6 | S1 | C2 | 172.0° | 164.0° |
| C6 | C7 | C8 | H11 | 84.9° | 60.0° |
| C6 | C7 | N10 | H12 | 80.9° | 25.0° |
| C15 | C16 | C18 | O19 | 83.7° | 100.0° |
| C15 | C16 | C18 | O20 | 96.7° | 80.0° |
| C15 | C16 | C18 | N17 | 120.7° | 120.0° |
| C15 | C16 | C18 | H19 | 120.0° | 120.0° |
| C15 | C16 | N17 | H19 | 125.8° | 120.0° |
| C16 | C15 | C14 | H15 | 96.2° | 60.0° |
| C16 | C15 | C14 | H16 | 21.5° | 60.0° |
| C16 | C15 | H17 | H18 | 118.2° | 120.0° |
| C15 | C16 | N17 | H20 | 180.0° | 64.0° |
| C15 | C16 | N17 | H21 | 60.0° | 59.9° |
| O4A | C4' | C4 | N5 | 72.1° | 96.0° |
| O4A | C4' | O4B | C4 | 175.9° | 180.0° |
| O4A | C4' | C4 | C3 | 135.7° | 84.0° |
| O4A | C4' | O4B | H6 | 0.0° | 0.0° |
| N5 | C6 | S1 | H9 | 121.0° | 120.0° |
| C6 | N5 | C4 | C4' | 163.2° | 178.5° |
| C6 | N5 | C4 | C3 | 41.0° | 1.5° |
| N5 | C6 | S1 | C2 | 52.5° | 44.1° |
| N5 | C6 | C7 | H10 | 169.5° | 65.0° |
| N5 | C4 | C4' | O4B | 103.8° | 84.0° |
| C4 | N5 | C6 | S1 | 58.5° | 18.6° |
| N5 | C4 | C4' | C3 | 152.2° | 179.9° |
| N5 | C4 | C3 | C2 | 30.8° | 18.6° |
| N5 | C4 | C3 | C3' | 158.6° | 139.2° |
| C4 | N5 | C6 | H9 | 60.3° | 101.3° |
| N5 | C4 | C3 | H25 | 63.6° | 101.9° |
| O4B | C4' | C4 | C3 | 48.4° | 96.0° |
| O19 | C18 | O20 | C16 | 179.6° | 180.0° |
| O19 | C18 | C16 | N17 | 155.6° | 20.0° |
| O19 | C18 | C16 | H19 | 36.2° | 140.1° |
| O19 | C18 | O20 | H23 | 0.0° | 0.0° |
| C6 | S1 | C2 | C3 | 46.9° | 60.3° |
| C6 | S1 | C2 | H1 | 73.8° | 59.3° |
| S1 | C6 | C7 | H10 | 67.6° | 54.9° |
| C6 | S1 | C2 | H24 | 167.6° | 180.0° |
| C4' | C4 | C3 | C2 | 178.6° | 161.3° |
| C4' | C4 | C3 | C3' | 8.0° | 40.7° |
| C4 | C4' | O4B | H6 | 175.9° | 180.0° |
| C4' | C4 | C3 | H25 | 87.0° | 78.2° |
| O20 | C18 | C16 | N17 | 24.0° | 160.0° |
| O20 | C18 | C16 | H19 | 143.4° | 40.0° |
| C18 | C16 | N17 | H19 | 118.8° | 120.0° |
| C18 | C16 | C15 | H17 | 166.0° | 65.0° |
| C18 | C16 | C15 | H18 | 75.1° | 55.0° |
| C18 | C16 | N17 | H20 | 64.6° | 176.0° |
| C18 | C16 | N17 | H21 | 175.4° | 60.0° |
| C16 | C18 | O20 | H23 | 179.6° | 179.9° |
| N17 | C16 | C15 | H17 | 80.2° | 55.0° |
| N17 | C16 | C15 | H18 | 38.7° | 175.0° |
| C16 | N17 | H20 | H21 | 120.0° | 123.9° |
| C4 | C3 | C2 | S1 | 40.3° | 48.6° |
| C4 | C3 | C2 | C3' | 171.1° | 120.6° |
| C4 | C3 | C2 | H25 | 94.4° | 120.5° |
| C4 | C3 | C3' | H25 | 94.9° | 118.8° |
| C4 | C3 | C2 | H1 | 80.4° | 71.0° |
| C4 | C3 | C3' | H3 | 98.8° | 55.4° |
| C4 | C3 | C3' | H4 | 109.0° | 175.4° |
| C4 | C3 | C3' | O3 | 5.1° | 64.6° |
| C4 | C3 | C2 | H24 | 161.0° | 168.2° |
| S1 | C2 | C3 | H1 | 120.7° | 119.6° |
| S1 | C2 | C3 | H24 | 120.7° | 119.6° |
| S1 | C2 | C3 | C3' | 148.5° | 169.2° |
| S1 | C2 | H1 | H24 | 117.9° | 120.7° |
| C2 | S1 | C6 | H9 | 68.5° | 75.9° |
| S1 | C2 | C3 | H25 | 54.1° | 71.8° |
| C2 | C3 | C3' | H25 | 94.2° | 118.9° |
| C3 | C2 | H1 | H24 | 117.8° | 120.9° |
| C2 | C3 | C3' | H3 | 72.1° | 66.8° |
| C2 | C3 | C3' | H4 | 80.1° | 53.2° |
| C2 | C3 | C3' | O3 | 176.0° | 173.2° |
| C3' | C3 | C2 | H1 | 90.8° | 49.7° |
| C3 | C3' | H3 | H4 | 155.4° | 120.0° |
| C3 | C3' | H3 | O3 | 49.1° | 120.0° |
| C3 | C3' | H4 | O3 | 49.1° | 120.0° |
| C3 | C3' | O3 | C12 | 90.0° | 180.0° |
| C3' | C3 | C2 | H24 | 27.8° | 71.2° |
| H1 | C2 | C3 | H25 | 174.8° | 168.6° |
| H3 | C3' | H4 | O3 | 155.5° | 120.0° |
| H3 | C3' | O3 | C12 | 90.0° | 60.0° |
| H3 | C3' | C3 | H25 | 166.3° | 174.2° |
| H4 | C3' | O3 | C12 | 90.0° | 60.0° |
| H4 | C3' | C3 | H25 | 14.1° | 65.8° |
| H9 | C6 | C7 | H10 | 50.3° | 174.9° |
| H10 | C7 | C8 | H11 | 34.2° | 60.1° |
| H10 | C7 | N10 | H12 | 155.8° | 145.0° |
| H13 | C13 | C14 | H15 | 29.0° | 180.0° |
| H13 | C13 | C14 | H16 | 146.7° | 59.9° |
| H14 | C13 | C14 | H15 | 90.8° | 59.9° |
| H14 | C13 | C14 | H16 | 27.0° | NaN° |
| H15 | C14 | C15 | H17 | 143.2° | 180.0° |
| H15 | C14 | C15 | H18 | 24.3° | 60.0° |
| H16 | C14 | C15 | H17 | 99.0° | 60.0° |
| H16 | C14 | C15 | H18 | 142.1° | 180.0° |
| H17 | C15 | C16 | H19 | 46.0° | 175.0° |
| H18 | C15 | C16 | H19 | 164.9° | 65.0° |
| H19 | C16 | N17 | H20 | 54.2° | 56.0° |
| H19 | C16 | N17 | H21 | 65.8° | 180.0° |
| C3' | O3 | C12 | O1 | 90.0° | 0.0° |
| C3' | O3 | C12 | C1 | 90.0° | 180.0° |
| O3 | C3' | C3 | H25 | 89.8° | 54.2° |
| O3 | C12 | O1 | C1 | 90.0° | 180.0° |
| O3 | C12 | C1 | H2 | 90.0° | 90.0° |
| O3 | C12 | C1 | H8 | 90.0° | 150.0° |
| O3 | C12 | C1 | H22 | 90.0° | 30.0° |
| O1 | C12 | C1 | H2 | 90.0° | 90.1° |
| O1 | C12 | C1 | H8 | 90.0° | 30.0° |
| O1 | C12 | C1 | H22 | 90.0° | 150.0° |
| C12 | C1 | H2 | H8 | 90.0° | 120.0° |
| C12 | C1 | H2 | H22 | 90.0° | 120.0° |
| C12 | C1 | H8 | H22 | 90.0° | 120.0° |
| H2 | C1 | H8 | H22 | 90.0° | 119.9° |
| H24 | C2 | C3 | H25 | 66.6° | 47.7° |
