2CE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.41Å | Aromatic |
| C1 | CL7 | sing | 1.74Å | 1.72Å | |
| C2 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | C5 | sing | 1.39Å | 1.42Å | Aromatic |
| C4 | S8 | sing | 1.76Å | 1.76Å | |
| C5 | C6 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| S8 | C9 | sing | 1.81Å | 1.81Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C9 | H9C1 | sing | 1.09Å | 1.10Å | |
| C9 | H9C2 | sing | 1.09Å | 1.10Å | |
| C10 | O11 | doub | 1.21Å | 1.21Å | |
| C10 | N12 | sing | 1.35Å | 1.40Å | |
| N12 | C13 | sing | 1.47Å | 1.49Å | |
| N12 | H12 | sing | 0.97Å | 1.00Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | C25 | sing | 1.51Å | 1.52Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C15 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | doub | 1.39Å | 1.43Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | sing | 1.39Å | 1.42Å | Aromatic |
| C18 | N21 | sing | 1.40Å | 1.45Å | |
| C19 | C20 | doub | 1.38Å | 1.42Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| N21 | C22 | sing | 1.38Å | 1.41Å | |
| N21 | H21 | sing | 0.97Å | 1.00Å | |
| C22 | N23 | doub | 1.30Å | 1.30Å | |
| C22 | N24 | sing | 1.38Å | 1.39Å | |
| N23 | H23 | sing | 0.97Å | 1.00Å | |
| N24 | H241 | sing | 0.97Å | 1.00Å | |
| N24 | H242 | sing | 0.97Å | 1.00Å | |
| C25 | O26 | doub | 1.21Å | 1.22Å | |
| C25 | N27 | sing | 1.35Å | 1.38Å | |
| N27 | C28 | sing | 1.46Å | 1.46Å | |
| N27 | H27 | sing | 0.97Å | 1.00Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | O30 | sing | 1.43Å | 1.43Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| O30 | C31 | sing | 1.43Å | 1.43Å | |
| C31 | C32 | sing | 1.53Å | 1.54Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | O33 | sing | 1.43Å | 1.42Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| O33 | C34 | sing | 1.43Å | 1.42Å | |
| C34 | C35 | sing | 1.51Å | 1.52Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | O36 | doub | 1.21Å | 1.21Å | |
| C35 | N37 | sing | 1.35Å | 1.39Å | |
| N37 | H371 | sing | 0.97Å | 1.00Å | |
| N37 | H372 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.8° | 120.1° |
| C2 | C1 | CL7 | 120.0° | 120.0° |
| C1 | C2 | C3 | 120.6° | 120.1° |
| C1 | C2 | H2 | 119.7° | 119.9° |
| C6 | C1 | CL7 | 120.2° | 119.9° |
| C1 | C6 | C5 | 119.7° | 120.1° |
| C1 | C6 | H6 | 120.1° | 119.9° |
| C3 | C2 | H2 | 119.7° | 120.0° |
| C2 | C3 | C4 | 120.0° | 119.9° |
| C2 | C3 | H3 | 120.0° | 120.0° |
| C4 | C3 | H3 | 120.0° | 120.0° |
| C3 | C4 | C5 | 119.1° | 119.8° |
| C3 | C4 | S8 | 118.7° | 120.1° |
| C5 | C4 | S8 | 122.2° | 120.1° |
| C4 | C5 | C6 | 120.8° | 119.9° |
| C4 | C5 | H5 | 119.6° | 120.0° |
| C4 | S8 | C9 | 114.1° | 100.0° |
| C6 | C5 | H5 | 119.6° | 120.1° |
| C5 | C6 | H6 | 120.2° | 120.0° |
| S8 | C9 | C10 | 111.3° | 109.5° |
| S8 | C9 | H9C1 | 108.5° | 109.4° |
| S8 | C9 | H9C2 | 108.9° | 109.4° |
| C10 | C9 | H9C1 | 108.4° | 109.5° |
| C10 | C9 | H9C2 | 108.9° | 109.5° |
| C9 | C10 | O11 | 117.5° | 120.0° |
| C9 | C10 | N12 | 124.0° | 120.0° |
| H9C1 | C9 | H9C2 | 110.9° | 109.5° |
| O11 | C10 | N12 | 118.4° | 120.0° |
| C10 | N12 | C13 | 122.9° | 120.0° |
| C10 | N12 | H12 | 118.5° | 120.0° |
| C13 | N12 | H12 | 118.5° | 120.0° |
| N12 | C13 | C14 | 109.7° | 109.5° |
| N12 | C13 | C25 | 107.6° | 109.5° |
| N12 | C13 | H13 | 110.9° | 109.5° |
| C14 | C13 | C25 | 110.4° | 109.5° |
| C14 | C13 | H13 | 108.1° | 109.5° |
| C13 | C14 | C15 | 117.7° | 109.5° |
| C13 | C14 | H141 | 104.9° | 109.5° |
| C13 | C14 | H142 | 106.8° | 109.5° |
| C25 | C13 | H13 | 110.2° | 109.5° |
| C13 | C25 | O26 | 118.9° | 120.0° |
| C13 | C25 | N27 | 121.4° | 120.0° |
| C15 | C14 | H141 | 104.9° | 109.4° |
| C15 | C14 | H142 | 106.8° | 109.5° |
| C14 | C15 | C16 | 119.5° | 119.9° |
| C14 | C15 | C20 | 121.3° | 119.9° |
| H141 | C14 | H142 | 116.2° | 109.5° |
| C16 | C15 | C20 | 119.2° | 120.2° |
| C15 | C16 | C17 | 120.4° | 120.0° |
| C15 | C16 | H16 | 119.8° | 120.0° |
| C15 | C20 | C19 | 120.5° | 120.1° |
| C15 | C20 | H20 | 119.7° | 120.0° |
| C17 | C16 | H16 | 119.8° | 119.9° |
| C16 | C17 | C18 | 120.6° | 119.9° |
| C16 | C17 | H17 | 119.7° | 120.0° |
| C18 | C17 | H17 | 119.7° | 120.1° |
| C17 | C18 | C19 | 118.4° | 119.8° |
| C17 | C18 | N21 | 123.7° | 120.1° |
| C19 | C18 | N21 | 117.9° | 120.1° |
| C18 | C19 | C20 | 120.9° | 120.0° |
| C18 | C19 | H19 | 119.5° | 120.0° |
| C18 | N21 | C22 | 129.1° | 120.0° |
| C18 | N21 | H21 | 115.5° | 120.0° |
| C20 | C19 | H19 | 119.5° | 120.0° |
| C19 | C20 | H20 | 119.8° | 119.9° |
| C22 | N21 | H21 | 115.4° | 119.9° |
| N21 | C22 | N23 | 122.1° | 120.0° |
| N21 | C22 | N24 | 118.8° | 119.9° |
| N23 | C22 | N24 | 119.1° | 120.0° |
| C22 | N23 | H23 | 110.3° | 120.0° |
| C22 | N24 | H241 | 124.8° | 119.9° |
| C22 | N24 | H242 | 110.3° | 120.0° |
| H241 | N24 | H242 | 124.8° | 120.1° |
| O26 | C25 | N27 | 119.7° | 120.0° |
| C25 | N27 | C28 | 123.8° | 120.1° |
| C25 | N27 | H27 | 118.1° | 120.0° |
| C28 | N27 | H27 | 118.1° | 119.9° |
| N27 | C28 | C29 | 113.4° | 109.5° |
| N27 | C28 | H281 | 107.3° | 109.4° |
| N27 | C28 | H282 | 108.2° | 109.5° |
| C29 | C28 | H281 | 107.3° | 109.4° |
| C29 | C28 | H282 | 108.2° | 109.5° |
| C28 | C29 | O30 | 112.5° | 109.5° |
| C28 | C29 | H291 | 107.8° | 109.5° |
| C28 | C29 | H292 | 108.5° | 109.4° |
| H281 | C28 | H282 | 112.5° | 109.5° |
| O30 | C29 | H291 | 107.8° | 109.5° |
| O30 | C29 | H292 | 108.5° | 109.5° |
| C29 | O30 | C31 | 112.8° | 106.8° |
| H291 | C29 | H292 | 111.9° | 109.5° |
| O30 | C31 | C32 | 112.3° | 109.5° |
| O30 | C31 | H311 | 107.9° | 109.5° |
| O30 | C31 | H312 | 108.5° | 109.4° |
| C32 | C31 | H311 | 107.9° | 109.5° |
| C32 | C31 | H312 | 108.5° | 109.5° |
| C31 | C32 | O33 | 110.9° | 109.5° |
| C31 | C32 | H321 | 108.7° | 109.5° |
| C31 | C32 | H322 | 109.0° | 109.5° |
| H311 | C31 | H312 | 111.7° | 109.5° |
| O33 | C32 | H321 | 108.7° | 109.4° |
| O33 | C32 | H322 | 109.0° | 109.5° |
| C32 | O33 | C34 | 111.9° | 106.8° |
| H321 | C32 | H322 | 110.6° | 109.4° |
| O33 | C34 | C35 | 110.7° | 109.5° |
| O33 | C34 | H341 | 108.8° | 109.5° |
| O33 | C34 | H342 | 109.1° | 109.5° |
| C35 | C34 | H341 | 108.8° | 109.4° |
| C35 | C34 | H342 | 109.1° | 109.5° |
| C34 | C35 | O36 | 119.6° | 119.9° |
| C34 | C35 | N37 | 120.8° | 120.0° |
| H341 | C34 | H342 | 110.4° | 109.4° |
| O36 | C35 | N37 | 119.6° | 120.0° |
| C35 | N37 | H371 | 125.1° | 120.0° |
| C35 | N37 | H372 | 109.8° | 120.0° |
| H371 | N37 | H372 | 125.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | CL7 | 179.9° | 179.9° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.0° | 0.0° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.3° |
| C2 | C1 | C6 | H6 | 179.8° | 180.0° |
| C6 | C1 | C2 | C3 | 0.2° | 0.0° |
| C6 | C1 | C2 | H2 | 179.8° | 180.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.6° |
| C1 | C6 | C5 | H6 | 180.0° | 179.7° |
| C1 | C6 | C5 | H5 | 180.0° | 179.9° |
| CL7 | C1 | C2 | C3 | 179.8° | 180.0° |
| CL7 | C1 | C2 | H2 | 0.2° | 0.0° |
| CL7 | C1 | C6 | C5 | 179.8° | 179.7° |
| CL7 | C1 | C6 | H6 | 0.3° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.2° | 0.2° |
| C2 | C3 | C4 | S8 | 180.0° | 180.0° |
| H2 | C2 | C3 | C4 | 180.0° | 180.0° |
| H2 | C2 | C3 | H3 | 0.0° | 0.0° |
| C3 | C4 | C5 | S8 | 179.8° | 179.8° |
| C3 | C4 | C5 | C6 | 0.1° | 0.5° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| C3 | C4 | S8 | C9 | 141.7° | 180.0° |
| H3 | C3 | C4 | C5 | 179.8° | 179.8° |
| H3 | C3 | C4 | S8 | 0.0° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.5° |
| C4 | C5 | C6 | H6 | 180.0° | 179.7° |
| C5 | C4 | S8 | C9 | 38.2° | 0.3° |
| S8 | C4 | C5 | C6 | 180.0° | 179.7° |
| S8 | C4 | C5 | H5 | 0.0° | 0.2° |
| C4 | S8 | C9 | C10 | 93.4° | 180.0° |
| C4 | S8 | C9 | H9C1 | 147.4° | 60.0° |
| C4 | S8 | C9 | H9C2 | 26.6° | 60.0° |
| H5 | C5 | C6 | H6 | 0.0° | 0.3° |
| S8 | C9 | C10 | H9C1 | 119.2° | 120.0° |
| S8 | C9 | C10 | H9C2 | 120.0° | 120.0° |
| S8 | C9 | H9C1 | H9C2 | 119.5° | 120.0° |
| S8 | C9 | C10 | O11 | 178.1° | 0.0° |
| S8 | C9 | C10 | N12 | 2.2° | 180.0° |
| C10 | C9 | H9C1 | H9C2 | 119.5° | 120.0° |
| C9 | C10 | O11 | N12 | 179.7° | 180.0° |
| C9 | C10 | N12 | C13 | 178.7° | 180.0° |
| C9 | C10 | N12 | H12 | 1.3° | 0.0° |
| H9C1 | C9 | C10 | O11 | 58.9° | 120.0° |
| H9C1 | C9 | C10 | N12 | 121.4° | 60.0° |
| H9C2 | C9 | C10 | O11 | 61.9° | 120.0° |
| H9C2 | C9 | C10 | N12 | 117.8° | 60.1° |
| O11 | C10 | N12 | C13 | 1.0° | 0.0° |
| O11 | C10 | N12 | H12 | 179.0° | 180.0° |
| C10 | N12 | C13 | H12 | 180.0° | 180.0° |
| C10 | N12 | C13 | C14 | 106.8° | 85.0° |
| C10 | N12 | C13 | C25 | 133.1° | 155.0° |
| C10 | N12 | C13 | H13 | 12.6° | 35.0° |
| N12 | C13 | C14 | C25 | 118.4° | 120.0° |
| N12 | C13 | C14 | H13 | 121.1° | 120.0° |
| N12 | C13 | C25 | H13 | 121.0° | 120.0° |
| N12 | C13 | C14 | C15 | 63.4° | 65.0° |
| N12 | C13 | C14 | H141 | 179.5° | 175.0° |
| N12 | C13 | C14 | H142 | 56.6° | 55.0° |
| N12 | C13 | C25 | O26 | 6.3° | 0.0° |
| N12 | C13 | C25 | N27 | 170.9° | 180.0° |
| H12 | N12 | C13 | C14 | 73.2° | 95.0° |
| H12 | N12 | C13 | C25 | 46.9° | 25.0° |
| H12 | N12 | C13 | H13 | 167.5° | 145.0° |
| C14 | C13 | C25 | H13 | 119.3° | 120.0° |
| C13 | C14 | C15 | H141 | 116.1° | 120.0° |
| C13 | C14 | C15 | H142 | 120.0° | 120.0° |
| C13 | C14 | H141 | H142 | 117.6° | 120.0° |
| C13 | C14 | C15 | C16 | 113.3° | 90.0° |
| C13 | C14 | C15 | C20 | 66.6° | 90.0° |
| C14 | C13 | C25 | O26 | 113.4° | 120.0° |
| C14 | C13 | C25 | N27 | 69.5° | 60.0° |
| C25 | C13 | C14 | C15 | 178.2° | 175.0° |
| C25 | C13 | C14 | H141 | 62.1° | 55.0° |
| C25 | C13 | C14 | H142 | 61.8° | 65.0° |
| C13 | C25 | O26 | N27 | 177.2° | 180.0° |
| C13 | C25 | N27 | C28 | 175.7° | 180.0° |
| C13 | C25 | N27 | H27 | 4.4° | 0.0° |
| H13 | C13 | C14 | C15 | 57.7° | 55.0° |
| H13 | C13 | C14 | H141 | 58.5° | 65.0° |
| H13 | C13 | C14 | H142 | 177.7° | 175.0° |
| H13 | C13 | C25 | O26 | 127.3° | 120.0° |
| H13 | C13 | C25 | N27 | 49.9° | 60.0° |
| C15 | C14 | H141 | H142 | 117.7° | 120.0° |
| C14 | C15 | C16 | C20 | 179.9° | 180.0° |
| C14 | C15 | C16 | C17 | 180.0° | 180.0° |
| C14 | C15 | C16 | H16 | 0.0° | 0.1° |
| C14 | C15 | C20 | C19 | 179.9° | 179.8° |
| C14 | C15 | C20 | H20 | 0.0° | 0.0° |
| H141 | C14 | C15 | C16 | 130.6° | 150.0° |
| H141 | C14 | C15 | C20 | 49.5° | 30.0° |
| H142 | C14 | C15 | C16 | 6.7° | 30.0° |
| H142 | C14 | C15 | C20 | 173.4° | 150.0° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 0.1° | 0.1° |
| C15 | C16 | C17 | H17 | 179.9° | 180.0° |
| C16 | C15 | C20 | C19 | 0.1° | 0.2° |
| C16 | C15 | C20 | H20 | 179.9° | 180.0° |
| C20 | C15 | C16 | C17 | 0.1° | 0.0° |
| C20 | C15 | C16 | H16 | 179.8° | 180.0° |
| C15 | C20 | C19 | C18 | 0.0° | 0.5° |
| C15 | C20 | C19 | H20 | 180.0° | 179.7° |
| C15 | C20 | C19 | H19 | 180.0° | 180.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.1° | 0.3° |
| C16 | C17 | C18 | N21 | 179.9° | 180.0° |
| H16 | C16 | C17 | C18 | 179.8° | 179.9° |
| H16 | C16 | C17 | H17 | 0.2° | 0.0° |
| C17 | C18 | C19 | N21 | 179.8° | 179.7° |
| C17 | C18 | C19 | C20 | 0.0° | 0.5° |
| C17 | C18 | C19 | H19 | 180.0° | 179.9° |
| C17 | C18 | N21 | C22 | 0.1° | 139.4° |
| C17 | C18 | N21 | H21 | 179.9° | 40.5° |
| H17 | C17 | C18 | C19 | 179.9° | 179.8° |
| H17 | C17 | C18 | N21 | 0.1° | 0.1° |
| C18 | C19 | C20 | H19 | 180.0° | 179.6° |
| C18 | C19 | C20 | H20 | 179.9° | 179.8° |
| C19 | C18 | N21 | C22 | 179.9° | 40.9° |
| C19 | C18 | N21 | H21 | 0.1° | 139.2° |
| N21 | C18 | C19 | C20 | 179.9° | 179.8° |
| N21 | C18 | C19 | H19 | 0.2° | 0.2° |
| C18 | N21 | C22 | H21 | 180.0° | 179.9° |
| C18 | N21 | C22 | N23 | 0.0° | 174.2° |
| C18 | N21 | C22 | N24 | 179.9° | 5.7° |
| H19 | C19 | C20 | H20 | 0.0° | 0.2° |
| N21 | C22 | N23 | N24 | 180.0° | 179.9° |
| N21 | C22 | N23 | H23 | 180.0° | 5.5° |
| N21 | C22 | N24 | H241 | 180.0° | 180.0° |
| N21 | C22 | N24 | H242 | 0.0° | 0.3° |
| H21 | N21 | C22 | N23 | 180.0° | 5.9° |
| H21 | N21 | C22 | N24 | 0.1° | 174.2° |
| N23 | C22 | N24 | H241 | 0.0° | 0.0° |
| N23 | C22 | N24 | H242 | 180.0° | 179.8° |
| N24 | C22 | N23 | H23 | 0.0° | 174.5° |
| C22 | N24 | H241 | H242 | 180.0° | 179.7° |
| O26 | C25 | N27 | C28 | 1.5° | 0.0° |
| O26 | C25 | N27 | H27 | 178.5° | 180.0° |
| C25 | N27 | C28 | H27 | 180.0° | 180.0° |
| C25 | N27 | C28 | C29 | 152.3° | 180.0° |
| C25 | N27 | C28 | H281 | 89.4° | 60.0° |
| C25 | N27 | C28 | H282 | 32.3° | 60.0° |
| N27 | C28 | C29 | H281 | 118.3° | 120.0° |
| N27 | C28 | C29 | H282 | 120.0° | 120.1° |
| N27 | C28 | H281 | H282 | 118.9° | 120.0° |
| N27 | C28 | C29 | O30 | 35.8° | 64.9° |
| N27 | C28 | C29 | H291 | 82.9° | 175.0° |
| N27 | C28 | C29 | H292 | 155.8° | 55.0° |
| H27 | N27 | C28 | C29 | 27.7° | 0.0° |
| H27 | N27 | C28 | H281 | 90.6° | 120.0° |
| H27 | N27 | C28 | H282 | 147.7° | 120.0° |
| C29 | C28 | H281 | H282 | 118.9° | 120.0° |
| C28 | C29 | O30 | H291 | 118.7° | 120.0° |
| C28 | C29 | O30 | H292 | 120.0° | 119.9° |
| C28 | C29 | H291 | H292 | 119.2° | 119.9° |
| C28 | C29 | O30 | C31 | 54.4° | 180.0° |
| H281 | C28 | C29 | O30 | 154.1° | 55.0° |
| H281 | C28 | C29 | H291 | 35.5° | 65.0° |
| H281 | C28 | C29 | H292 | 85.9° | 175.0° |
| H282 | C28 | C29 | O30 | 84.2° | 175.0° |
| H282 | C28 | C29 | H291 | 157.1° | 54.9° |
| H282 | C28 | C29 | H292 | 35.8° | 65.1° |
| O30 | C29 | H291 | H292 | 119.2° | 120.0° |
| C29 | O30 | C31 | C32 | 176.2° | 180.0° |
| C29 | O30 | C31 | H311 | 65.0° | 60.0° |
| C29 | O30 | C31 | H312 | 56.2° | 60.0° |
| H291 | C29 | O30 | C31 | 173.0° | 60.0° |
| H292 | C29 | O30 | C31 | 65.6° | 60.1° |
| O30 | C31 | C32 | H311 | 118.8° | 120.0° |
| O30 | C31 | C32 | H312 | 120.0° | 120.0° |
| O30 | C31 | H311 | H312 | 119.2° | 120.0° |
| O30 | C31 | C32 | O33 | 111.9° | 65.0° |
| O30 | C31 | C32 | H321 | 128.7° | 175.0° |
| O30 | C31 | C32 | H322 | 8.0° | 55.0° |
| C32 | C31 | H311 | H312 | 119.2° | 120.0° |
| C31 | C32 | O33 | H321 | 119.4° | 120.0° |
| C31 | C32 | O33 | H322 | 120.0° | 120.0° |
| C31 | C32 | H321 | H322 | 119.6° | 120.0° |
| C31 | C32 | O33 | C34 | 109.6° | 180.0° |
| H311 | C31 | C32 | O33 | 6.8° | 55.0° |
| H311 | C31 | C32 | H321 | 112.6° | 65.0° |
| H311 | C31 | C32 | H322 | 126.8° | 175.0° |
| H312 | C31 | C32 | O33 | 128.1° | 175.0° |
| H312 | C31 | C32 | H321 | 8.7° | 55.0° |
| H312 | C31 | C32 | H322 | 112.0° | 65.0° |
| O33 | C32 | H321 | H322 | 119.6° | 120.0° |
| C32 | O33 | C34 | C35 | 35.4° | 180.0° |
| C32 | O33 | C34 | H341 | 84.1° | 60.0° |
| C32 | O33 | C34 | H342 | 155.3° | 59.9° |
| H321 | C32 | O33 | C34 | 9.8° | 60.0° |
| H322 | C32 | O33 | C34 | 130.4° | 60.0° |
| O33 | C34 | C35 | H341 | 119.5° | 120.0° |
| O33 | C34 | C35 | H342 | 120.0° | 120.1° |
| O33 | C34 | H341 | H342 | 119.7° | 120.0° |
| O33 | C34 | C35 | O36 | 16.1° | 0.0° |
| O33 | C34 | C35 | N37 | 162.8° | 180.0° |
| C35 | C34 | H341 | H342 | 119.6° | 120.0° |
| C34 | C35 | O36 | N37 | 178.9° | 180.0° |
| C34 | C35 | N37 | H371 | 179.4° | 0.0° |
| C34 | C35 | N37 | H372 | 0.6° | 180.0° |
| H341 | C34 | C35 | O36 | 135.7° | 120.0° |
| H341 | C34 | C35 | N37 | 43.2° | 59.9° |
| H342 | C34 | C35 | O36 | 103.8° | 120.0° |
| H342 | C34 | C35 | N37 | 77.3° | 60.0° |
| O36 | C35 | N37 | H371 | 0.5° | 180.0° |
| O36 | C35 | N37 | H372 | 179.5° | 0.1° |
| C35 | N37 | H371 | H372 | 180.0° | 179.9° |
