WCS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | N02 | sing | 1.47Å | 1.47Å | |
| C01 | N02 | sing | 1.47Å | 1.47Å | |
| N02 | C03 | sing | 1.47Å | 1.48Å | |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| N28 | C27 | doub | 1.31Å | 1.36Å | Aromatic |
| N28 | N24 | sing | 1.40Å | 1.36Å | Aromatic |
| C27 | C26 | sing | 1.40Å | 1.39Å | Aromatic |
| C05 | O06 | sing | 1.43Å | 1.43Å | |
| N24 | C23 | sing | 1.46Å | 1.48Å | |
| N24 | C25 | sing | 1.35Å | 1.34Å | Aromatic |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| C26 | C25 | doub | 1.35Å | 1.36Å | Aromatic |
| O06 | C07 | sing | 1.36Å | 1.40Å | |
| C31 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C21 | sing | 1.53Å | 1.55Å | |
| C07 | C08 | sing | 1.39Å | 1.38Å | Aromatic |
| C30 | C10 | doub | 1.39Å | 1.40Å | Aromatic |
| C21 | N20 | sing | 1.47Å | 1.50Å | |
| C08 | C09 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.48Å | 1.45Å | |
| C29 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| C29 | C19 | sing | 1.39Å | 1.43Å | Aromatic |
| C11 | N12 | sing | 1.33Å | 1.33Å | Aromatic |
| N20 | C19 | sing | 1.39Å | 1.47Å | |
| C19 | N18 | doub | 1.33Å | 1.30Å | Aromatic |
| N12 | C13 | doub | 1.32Å | 1.33Å | Aromatic |
| N18 | C13 | sing | 1.32Å | 1.30Å | Aromatic |
| C13 | S14 | sing | 1.76Å | 1.80Å | |
| C15 | S14 | sing | 1.81Å | 1.85Å | |
| S14 | O17 | doub | 1.42Å | 1.46Å | |
| S14 | O16 | doub | 1.42Å | 1.46Å | |
| C15 | H1 | sing | 1.09Å | 1.10Å | |
| C15 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| C04 | H9 | sing | 1.09Å | 1.10Å | |
| C04 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.08Å | 1.08Å | |
| C09 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.08Å | 1.08Å | |
| C26 | H22 | sing | 1.08Å | 1.08Å | |
| C27 | H23 | sing | 1.08Å | 1.08Å | |
| C29 | H24 | sing | 1.08Å | 1.08Å | |
| C30 | H25 | sing | 1.08Å | 1.08Å | |
| C31 | H26 | sing | 1.08Å | 1.08Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C32 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.09Å | 1.10Å | |
| N20 | H31 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | N02 | C01 | 108.9° | 111.0° |
| C32 | N02 | C03 | 111.9° | 111.0° |
| N02 | C32 | H27 | 109.5° | 109.5° |
| N02 | C32 | H28 | 109.5° | 109.4° |
| N02 | C32 | H29 | 109.5° | 109.5° |
| C01 | N02 | C03 | 108.5° | 111.0° |
| N02 | C01 | H4 | 109.5° | 109.5° |
| N02 | C01 | H5 | 109.4° | 109.5° |
| N02 | C01 | H6 | 109.4° | 109.5° |
| N02 | C03 | C04 | 112.3° | 109.5° |
| N02 | C03 | H7 | 108.8° | 109.4° |
| N02 | C03 | H8 | 108.8° | 109.5° |
| C03 | C04 | C05 | 115.6° | 109.5° |
| C04 | C03 | H7 | 108.8° | 109.5° |
| C04 | C03 | H8 | 108.8° | 109.5° |
| C03 | C04 | H9 | 107.9° | 109.5° |
| C03 | C04 | H10 | 107.9° | 109.5° |
| C04 | C05 | O06 | 108.9° | 109.5° |
| C05 | C04 | H9 | 107.9° | 109.5° |
| C05 | C04 | H10 | 107.9° | 109.5° |
| C04 | C05 | H11 | 109.6° | 109.5° |
| C04 | C05 | H12 | 109.6° | 109.5° |
| C27 | N28 | N24 | 107.6° | 108.2° |
| N28 | C27 | C26 | 107.0° | 108.2° |
| N28 | C27 | H23 | 126.5° | 125.9° |
| N28 | N24 | C23 | 125.7° | 126.0° |
| N28 | N24 | C25 | 109.9° | 107.9° |
| C27 | C26 | C25 | 108.4° | 107.9° |
| C27 | C26 | H22 | 125.8° | 126.0° |
| C26 | C27 | H23 | 126.5° | 125.9° |
| C05 | O06 | C07 | 116.8° | 117.0° |
| O06 | C05 | H11 | 109.6° | 109.5° |
| O06 | C05 | H12 | 109.6° | 109.5° |
| C23 | N24 | C25 | 124.4° | 126.1° |
| N24 | C23 | C22 | 109.3° | 109.5° |
| N24 | C23 | H19 | 109.5° | 109.5° |
| N24 | C23 | H20 | 109.5° | 109.4° |
| N24 | C25 | C26 | 107.1° | 107.7° |
| N24 | C25 | H21 | 126.5° | 126.1° |
| C23 | C22 | C21 | 109.8° | 109.5° |
| C23 | C22 | H17 | 109.4° | 109.5° |
| C23 | C22 | H18 | 109.4° | 109.5° |
| C22 | C23 | H19 | 109.5° | 109.5° |
| C22 | C23 | H20 | 109.5° | 109.5° |
| C26 | C25 | H21 | 126.4° | 126.1° |
| C25 | C26 | H22 | 125.8° | 126.0° |
| O06 | C07 | C31 | 122.7° | 119.9° |
| O06 | C07 | C08 | 117.0° | 119.9° |
| C07 | C31 | C30 | 118.8° | 120.1° |
| C31 | C07 | C08 | 120.3° | 120.1° |
| C07 | C31 | H26 | 120.6° | 120.0° |
| C31 | C30 | C10 | 120.6° | 120.0° |
| C31 | C30 | H25 | 119.7° | 120.0° |
| C30 | C31 | H26 | 120.6° | 119.9° |
| C22 | C21 | N20 | 108.5° | 109.5° |
| C22 | C21 | H15 | 109.7° | 109.5° |
| C22 | C21 | H16 | 109.7° | 109.5° |
| C21 | C22 | H17 | 109.4° | 109.5° |
| C21 | C22 | H18 | 109.4° | 109.5° |
| C07 | C08 | C09 | 121.0° | 120.1° |
| C07 | C08 | H13 | 119.5° | 119.9° |
| C30 | C10 | C09 | 120.0° | 119.8° |
| C30 | C10 | C11 | 122.9° | 120.1° |
| C10 | C30 | H25 | 119.7° | 120.0° |
| C21 | N20 | C19 | 118.5° | 120.0° |
| N20 | C21 | H15 | 109.7° | 109.4° |
| N20 | C21 | H16 | 109.7° | 109.4° |
| C21 | N20 | H31 | 107.2° | 120.0° |
| C08 | C09 | C10 | 119.4° | 120.0° |
| C09 | C08 | H13 | 119.5° | 120.0° |
| C08 | C09 | H14 | 120.3° | 120.0° |
| C09 | C10 | C11 | 117.0° | 120.1° |
| C10 | C09 | H14 | 120.3° | 120.0° |
| C10 | C11 | C29 | 124.3° | 120.5° |
| C10 | C11 | N12 | 117.4° | 120.5° |
| C11 | C29 | C19 | 118.9° | 118.3° |
| C29 | C11 | N12 | 118.2° | 118.9° |
| C11 | C29 | H24 | 120.5° | 120.8° |
| C29 | C19 | N20 | 123.2° | 120.5° |
| C29 | C19 | N18 | 119.9° | 119.0° |
| C19 | C29 | H24 | 120.6° | 120.9° |
| C11 | N12 | C13 | 118.8° | 120.9° |
| N20 | C19 | N18 | 116.9° | 120.5° |
| C19 | N20 | H31 | 107.2° | 120.0° |
| C19 | N18 | C13 | 118.1° | 121.0° |
| N12 | C13 | N18 | 126.1° | 121.9° |
| N12 | C13 | S14 | 118.4° | 119.0° |
| N18 | C13 | S14 | 115.5° | 119.0° |
| C13 | S14 | C15 | 106.8° | 104.4° |
| C13 | S14 | O17 | 112.4° | 104.3° |
| C13 | S14 | O16 | 107.2° | 104.2° |
| C15 | S14 | O17 | 112.9° | 110.5° |
| C15 | S14 | O16 | 107.1° | 110.6° |
| S14 | C15 | H1 | 109.5° | 109.5° |
| S14 | C15 | H2 | 109.4° | 109.4° |
| S14 | C15 | H3 | 109.4° | 109.5° |
| O17 | S14 | O16 | 110.1° | 121.1° |
| H1 | C15 | H2 | 109.5° | 109.4° |
| H1 | C15 | H3 | 109.5° | 109.5° |
| H2 | C15 | H3 | 109.5° | 109.5° |
| H4 | C01 | H5 | 109.4° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.4° |
| H5 | C01 | H6 | 109.5° | 109.4° |
| H7 | C03 | H8 | 109.5° | 109.4° |
| H9 | C04 | H10 | 109.5° | 109.4° |
| H11 | C05 | H12 | 109.4° | 109.4° |
| H15 | C21 | H16 | 109.5° | 109.5° |
| H17 | C22 | H18 | 109.5° | 109.5° |
| H19 | C23 | H20 | 109.5° | 109.4° |
| H27 | C32 | H28 | 109.4° | 109.4° |
| H27 | C32 | H29 | 109.5° | 109.5° |
| H28 | C32 | H29 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | N02 | C01 | C03 | 122.0° | 123.9° |
| C32 | N02 | C03 | C04 | 50.9° | 170.0° |
| C32 | N02 | C01 | H4 | 180.0° | 60.0° |
| C32 | N02 | C01 | H5 | 60.0° | 180.0° |
| C32 | N02 | C01 | H6 | 60.0° | 60.0° |
| C32 | N02 | C03 | H7 | 69.5° | 50.0° |
| C32 | N02 | C03 | H8 | 171.3° | 69.9° |
| N02 | C32 | H27 | H28 | 120.0° | 120.0° |
| N02 | C32 | H27 | H29 | 120.0° | 120.1° |
| N02 | C32 | H28 | H29 | 120.0° | 120.0° |
| C01 | N02 | C03 | C04 | 171.1° | 66.1° |
| N02 | C01 | H4 | H5 | 120.0° | 120.0° |
| N02 | C01 | H4 | H6 | 120.0° | 120.0° |
| N02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C01 | N02 | C03 | H7 | 50.7° | 173.9° |
| C01 | N02 | C03 | H8 | 68.5° | 54.0° |
| C01 | N02 | C32 | H27 | 180.0° | 56.1° |
| C01 | N02 | C32 | H28 | 60.0° | 176.1° |
| C01 | N02 | C32 | H29 | 60.0° | 64.0° |
| N02 | C03 | C04 | H7 | 120.4° | 120.0° |
| N02 | C03 | C04 | H8 | 120.4° | 120.0° |
| N02 | C03 | C04 | C05 | 67.3° | 180.0° |
| C03 | N02 | C01 | H4 | 57.9° | 64.0° |
| C03 | N02 | C01 | H5 | 62.0° | 56.1° |
| C03 | N02 | C01 | H6 | 178.0° | 176.1° |
| N02 | C03 | H7 | H8 | 118.7° | 120.0° |
| N02 | C03 | C04 | H9 | 53.6° | 60.0° |
| N02 | C03 | C04 | H10 | 171.8° | 60.0° |
| C03 | N02 | C32 | H27 | 60.1° | 180.0° |
| C03 | N02 | C32 | H28 | 179.9° | 60.0° |
| C03 | N02 | C32 | H29 | 60.0° | 59.9° |
| C03 | C04 | C05 | H9 | 120.9° | 120.0° |
| C03 | C04 | C05 | H10 | 120.9° | 120.0° |
| C03 | C04 | C05 | O06 | 49.3° | 180.0° |
| C04 | C03 | H7 | H8 | 118.7° | 120.0° |
| C03 | C04 | H9 | H10 | 117.2° | 120.0° |
| C03 | C04 | C05 | H11 | 70.6° | 60.0° |
| C03 | C04 | C05 | H12 | 169.3° | 60.0° |
| C04 | C05 | O06 | H11 | 119.9° | 120.0° |
| C04 | C05 | O06 | H12 | 119.9° | 120.1° |
| C04 | C05 | O06 | C07 | 168.0° | 180.0° |
| C05 | C04 | C03 | H7 | 172.3° | 60.0° |
| C05 | C04 | C03 | H8 | 53.1° | 60.0° |
| C05 | C04 | H9 | H10 | 117.2° | 119.9° |
| C04 | C05 | H11 | H12 | 120.2° | 120.0° |
| N28 | C27 | C26 | H23 | 180.0° | 180.0° |
| C27 | N28 | N24 | C23 | 179.8° | 179.8° |
| C27 | N28 | N24 | C25 | 0.3° | 0.4° |
| N28 | C27 | C26 | C25 | 0.2° | 0.0° |
| N28 | C27 | C26 | H22 | 179.8° | 179.9° |
| N24 | N28 | C27 | C26 | 0.0° | 0.2° |
| N28 | N24 | C23 | C25 | 179.5° | 179.8° |
| N28 | N24 | C23 | C22 | 75.1° | 54.8° |
| N28 | N24 | C25 | C26 | 0.4° | 0.4° |
| N28 | N24 | C23 | H19 | 44.9° | 174.9° |
| N28 | N24 | C23 | H20 | 164.9° | 65.2° |
| N28 | N24 | C25 | H21 | 179.6° | 179.9° |
| N24 | N28 | C27 | H23 | 180.0° | 179.8° |
| C27 | C26 | C25 | N24 | 0.4° | 0.2° |
| C27 | C26 | C25 | H22 | 180.0° | 179.9° |
| C27 | C26 | C25 | H21 | 179.6° | 180.0° |
| C05 | O06 | C07 | C31 | 3.3° | 0.5° |
| C05 | O06 | C07 | C08 | 176.7° | 180.0° |
| O06 | C05 | C04 | H9 | 170.2° | 60.0° |
| O06 | C05 | C04 | H10 | 71.6° | 60.0° |
| O06 | C05 | H11 | H12 | 120.3° | 120.0° |
| N24 | C23 | C22 | H19 | 120.0° | 120.1° |
| N24 | C23 | C22 | H20 | 120.0° | 120.0° |
| C23 | N24 | C25 | C26 | 179.9° | 179.8° |
| N24 | C23 | C22 | C21 | 57.6° | 180.0° |
| N24 | C23 | C22 | H17 | 62.4° | 60.0° |
| N24 | C23 | C22 | H18 | 177.6° | 60.0° |
| N24 | C23 | H19 | H20 | 120.1° | 119.9° |
| C23 | N24 | C25 | H21 | 0.1° | 0.0° |
| C25 | N24 | C23 | C22 | 105.4° | 125.0° |
| N24 | C25 | C26 | H21 | 180.0° | 179.8° |
| C25 | N24 | C23 | H19 | 134.6° | 4.9° |
| C25 | N24 | C23 | H20 | 14.5° | 115.0° |
| N24 | C25 | C26 | H22 | 179.6° | 179.7° |
| C23 | C22 | C21 | H17 | 120.0° | 120.0° |
| C23 | C22 | C21 | H18 | 120.0° | 120.0° |
| C23 | C22 | C21 | N20 | 179.9° | 180.0° |
| C23 | C22 | C21 | H15 | 60.3° | 60.1° |
| C23 | C22 | C21 | H16 | 60.0° | 60.0° |
| C23 | C22 | H17 | H18 | 119.9° | 120.0° |
| C22 | C23 | H19 | H20 | 120.1° | 120.0° |
| C25 | C26 | C27 | H23 | 179.8° | 180.0° |
| O06 | C07 | C31 | C08 | 180.0° | 179.4° |
| O06 | C07 | C31 | C30 | 179.6° | 179.7° |
| O06 | C07 | C08 | C09 | 180.0° | 180.0° |
| C07 | O06 | C05 | H11 | 48.1° | 60.0° |
| C07 | O06 | C05 | H12 | 72.1° | 60.0° |
| O06 | C07 | C08 | H13 | 0.0° | 0.6° |
| O06 | C07 | C31 | H26 | 0.4° | 0.5° |
| C07 | C31 | C30 | H26 | 180.0° | 179.7° |
| C07 | C31 | C30 | C10 | 1.7° | 0.0° |
| C31 | C07 | C08 | C09 | 0.0° | 0.6° |
| C31 | C07 | C08 | H13 | 180.0° | 180.0° |
| C07 | C31 | C30 | H25 | 178.3° | 180.0° |
| C30 | C31 | C07 | C08 | 0.4° | 0.3° |
| C31 | C30 | C10 | H25 | 180.0° | 180.0° |
| C31 | C30 | C10 | C09 | 2.6° | 0.0° |
| C31 | C30 | C10 | C11 | 178.6° | 179.7° |
| C22 | C21 | N20 | H15 | 119.8° | 120.0° |
| C22 | C21 | N20 | H16 | 119.9° | 120.0° |
| C22 | C21 | N20 | C19 | 89.4° | 180.0° |
| C22 | C21 | H15 | H16 | 120.4° | 120.1° |
| C21 | C22 | H17 | H18 | 119.9° | 120.0° |
| C21 | C22 | C23 | H19 | 177.5° | 60.0° |
| C21 | C22 | C23 | H20 | 62.4° | 60.0° |
| C22 | C21 | N20 | H31 | 31.9° | 0.0° |
| C07 | C08 | C09 | H13 | 180.0° | 179.4° |
| C07 | C08 | C09 | C10 | 0.9° | 0.6° |
| C07 | C08 | C09 | H14 | 179.1° | 179.5° |
| C08 | C07 | C31 | H26 | 179.6° | 180.0° |
| C30 | C10 | C09 | C08 | 2.2° | 0.3° |
| C30 | C10 | C09 | C11 | 176.3° | 179.8° |
| C30 | C10 | C11 | C29 | 10.2° | 0.1° |
| C30 | C10 | C11 | N12 | 167.0° | 179.7° |
| C30 | C10 | C09 | H14 | 177.9° | 179.8° |
| C10 | C30 | C31 | H26 | 178.3° | 179.7° |
| C21 | N20 | C19 | C29 | 14.0° | 0.2° |
| C21 | N20 | C19 | H31 | 121.3° | 180.0° |
| C21 | N20 | C19 | N18 | 166.9° | 180.0° |
| N20 | C21 | H15 | H16 | 120.4° | 119.9° |
| N20 | C21 | C22 | H17 | 59.8° | 60.0° |
| N20 | C21 | C22 | H18 | 60.1° | 60.0° |
| C08 | C09 | C10 | H14 | 180.0° | 179.9° |
| C08 | C09 | C10 | C11 | 178.4° | 180.0° |
| C09 | C10 | C11 | C29 | 173.6° | 179.7° |
| C09 | C10 | C11 | N12 | 9.1° | 0.1° |
| C10 | C09 | C08 | H13 | 179.1° | 180.0° |
| C09 | C10 | C30 | H25 | 177.4° | 180.0° |
| C10 | C11 | C29 | N12 | 177.2° | 179.7° |
| C10 | C11 | C29 | C19 | 177.8° | 180.0° |
| C10 | C11 | N12 | C13 | 178.4° | 180.0° |
| C11 | C10 | C09 | H14 | 1.6° | 0.0° |
| C10 | C11 | C29 | H24 | 2.2° | 0.1° |
| C11 | C10 | C30 | H25 | 1.4° | 0.2° |
| C11 | C29 | C19 | H24 | 180.0° | 180.0° |
| C11 | C29 | C19 | N20 | 179.4° | 179.7° |
| C11 | C29 | C19 | N18 | 0.3° | 0.0° |
| C29 | C11 | N12 | C13 | 1.0° | 0.3° |
| C19 | C29 | C11 | N12 | 0.5° | 0.3° |
| C29 | C19 | N20 | N18 | 179.1° | 179.7° |
| C29 | C19 | N18 | C13 | 0.7° | 0.3° |
| C29 | C19 | N20 | H31 | 107.3° | 179.8° |
| C11 | N12 | C13 | N18 | 0.7° | 0.1° |
| C11 | N12 | C13 | S14 | 179.0° | 180.0° |
| N12 | C11 | C29 | H24 | 179.4° | 179.7° |
| N20 | C19 | N18 | C13 | 179.8° | 180.0° |
| C19 | N20 | C21 | H15 | 150.8° | 60.0° |
| C19 | N20 | C21 | H16 | 30.5° | 60.0° |
| N20 | C19 | C29 | H24 | 0.7° | 0.2° |
| C19 | N18 | C13 | N12 | 0.2° | 0.2° |
| C19 | N18 | C13 | S14 | 178.2° | 179.7° |
| N18 | C19 | C29 | H24 | 179.7° | 180.0° |
| N18 | C19 | N20 | H31 | 71.8° | 0.1° |
| N12 | C13 | N18 | S14 | 178.4° | 179.9° |
| N12 | C13 | S14 | C15 | 29.9° | 90.0° |
| N12 | C13 | S14 | O17 | 154.2° | 26.0° |
| N12 | C13 | S14 | O16 | 84.6° | 153.9° |
| N18 | C13 | S14 | C15 | 151.6° | 90.0° |
| N18 | C13 | S14 | O17 | 27.3° | 153.9° |
| N18 | C13 | S14 | O16 | 93.9° | 26.1° |
| C13 | S14 | C15 | O17 | 124.0° | 111.6° |
| C13 | S14 | C15 | O16 | 114.6° | 111.6° |
| C13 | S14 | O17 | O16 | 119.5° | 116.7° |
| C13 | S14 | C15 | H1 | 180.0° | 60.0° |
| C13 | S14 | C15 | H2 | 60.0° | 179.9° |
| C13 | S14 | C15 | H3 | 60.0° | 60.0° |
| C15 | S14 | O17 | O16 | 119.7° | 131.6° |
| S14 | C15 | H1 | H2 | 120.0° | 119.9° |
| S14 | C15 | H1 | H3 | 120.0° | 120.0° |
| S14 | C15 | H2 | H3 | 120.0° | 120.0° |
| O17 | S14 | C15 | H1 | 56.0° | 171.6° |
| O17 | S14 | C15 | H2 | 176.0° | 68.5° |
| O17 | S14 | C15 | H3 | 64.0° | 51.6° |
| O16 | S14 | C15 | H1 | 65.4° | 51.6° |
| O16 | S14 | C15 | H2 | 54.6° | 68.4° |
| O16 | S14 | C15 | H3 | 174.6° | 171.6° |
| H1 | C15 | H2 | H3 | 120.0° | 120.0° |
| H4 | C01 | H5 | H6 | 120.0° | 119.9° |
| H7 | C03 | C04 | H9 | 66.8° | 60.0° |
| H7 | C03 | C04 | H10 | 51.4° | NaN° |
| H8 | C03 | C04 | H9 | 174.0° | NaN° |
| H8 | C03 | C04 | H10 | 67.8° | 60.0° |
| H9 | C04 | C05 | H11 | 50.3° | 180.0° |
| H9 | C04 | C05 | H12 | 69.8° | 60.1° |
| H10 | C04 | C05 | H11 | 168.5° | 60.1° |
| H10 | C04 | C05 | H12 | 48.4° | 180.0° |
| H13 | C08 | C09 | H14 | 0.8° | 0.1° |
| H15 | C21 | C22 | H17 | 179.7° | 59.9° |
| H15 | C21 | C22 | H18 | 59.8° | 180.0° |
| H15 | C21 | N20 | H31 | 88.0° | 120.0° |
| H16 | C21 | C22 | H17 | 60.0° | 180.0° |
| H16 | C21 | C22 | H18 | 179.9° | 60.0° |
| H16 | C21 | N20 | H31 | 151.7° | 120.1° |
| H17 | C22 | C23 | H19 | 57.5° | 179.9° |
| H17 | C22 | C23 | H20 | 177.6° | 60.0° |
| H18 | C22 | C23 | H19 | 62.4° | 60.0° |
| H18 | C22 | C23 | H20 | 57.6° | 180.0° |
| H21 | C25 | C26 | H22 | 0.3° | 0.1° |
| H22 | C26 | C27 | H23 | 0.2° | 0.1° |
| H25 | C30 | C31 | H26 | 1.7° | 0.2° |
| H27 | C32 | H28 | H29 | 120.0° | 120.0° |
