28M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C34 | C33 | doub | 1.35Å | 1.35Å | |
| C34 | C35 | sing | 1.40Å | 1.43Å | |
| C33 | N31 | sing | 1.36Å | 1.36Å | |
| C35 | C28 | doub | 1.39Å | 1.38Å | |
| C24 | C27 | sing | 1.53Å | 1.54Å | |
| C24 | C26 | sing | 1.53Å | 1.54Å | |
| C24 | C3 | sing | 1.51Å | 1.56Å | |
| N31 | C29 | sing | 1.35Å | 1.41Å | |
| C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.42Å | 1.46Å | |
| C28 | C1 | sing | 1.48Å | 1.49Å | |
| C29 | O30 | doub | 1.22Å | 1.23Å | |
| C3 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | C6 | doub | 1.42Å | 1.44Å | Aromatic |
| C4 | O22 | sing | 1.36Å | 1.39Å | |
| C4 | C5 | doub | 1.41Å | 1.44Å | Aromatic |
| C6 | C5 | sing | 1.42Å | 1.43Å | Aromatic |
| C6 | N7 | sing | 1.34Å | 1.37Å | Aromatic |
| O22 | C23 | sing | 1.43Å | 1.44Å | |
| C5 | C10 | sing | 1.41Å | 1.42Å | Aromatic |
| N7 | C8 | doub | 1.31Å | 1.33Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.40Å | 1.41Å | Aromatic |
| C9 | N11 | sing | 1.40Å | 1.41Å | |
| N11 | C12 | sing | 1.48Å | 1.47Å | |
| N11 | C15 | sing | 1.49Å | 1.46Å | |
| C12 | C13 | sing | 1.54Å | 1.52Å | |
| C15 | C14 | sing | 1.55Å | 1.54Å | |
| C13 | C14 | sing | 1.55Å | 1.52Å | |
| C14 | C16 | sing | 1.53Å | 1.54Å | |
| C16 | N17 | sing | 1.46Å | 1.49Å | |
| N17 | S18 | sing | 1.66Å | 1.61Å | |
| O20 | S18 | doub | 1.42Å | 1.43Å | |
| S18 | C21 | sing | 1.81Å | 1.75Å | |
| S18 | O19 | doub | 1.42Å | 1.43Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.08Å | 1.08Å | |
| C12 | H4 | sing | 1.09Å | 1.10Å | |
| C12 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| N17 | H13 | sing | 0.97Å | 1.00Å | |
| C21 | H14 | sing | 1.09Å | 1.10Å | |
| C21 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C25 | H20 | sing | 1.09Å | 1.10Å | |
| C25 | H21 | sing | 1.09Å | 1.10Å | |
| C25 | H22 | sing | 1.09Å | 1.10Å | |
| C26 | H23 | sing | 1.09Å | 1.10Å | |
| C26 | H24 | sing | 1.09Å | 1.10Å | |
| C26 | H25 | sing | 1.09Å | 1.10Å | |
| C27 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H28 | sing | 1.09Å | 1.10Å | |
| N31 | H29 | sing | 0.97Å | 1.00Å | |
| C33 | H30 | sing | 1.08Å | 1.08Å | |
| C34 | H31 | sing | 1.08Å | 1.08Å | |
| C35 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C25 | C24 | C27 | 105.6° | 109.5° |
| C25 | C24 | C26 | 104.9° | 109.5° |
| C25 | C24 | C3 | 113.0° | 109.4° |
| C24 | C25 | H20 | 109.5° | 109.4° |
| C24 | C25 | H21 | 109.5° | 109.5° |
| C24 | C25 | H22 | 109.5° | 109.5° |
| C33 | C34 | C35 | 118.8° | 120.1° |
| C34 | C33 | N31 | 120.6° | 121.1° |
| C34 | C33 | H30 | 119.7° | 119.5° |
| C33 | C34 | H31 | 120.6° | 119.9° |
| C34 | C35 | C28 | 121.4° | 119.0° |
| C35 | C34 | H31 | 120.6° | 120.0° |
| C34 | C35 | H32 | 119.3° | 120.5° |
| C33 | N31 | C29 | 124.8° | 121.0° |
| C33 | N31 | H29 | 117.6° | 119.5° |
| N31 | C33 | H30 | 119.7° | 119.4° |
| C35 | C28 | C29 | 120.2° | 119.0° |
| C35 | C28 | C1 | 119.9° | 120.5° |
| C28 | C35 | H32 | 119.3° | 120.5° |
| C27 | C24 | C26 | 109.8° | 109.5° |
| C27 | C24 | C3 | 111.5° | 109.5° |
| C24 | C27 | H26 | 109.5° | 109.5° |
| C24 | C27 | H27 | 109.5° | 109.5° |
| C24 | C27 | H28 | 109.5° | 109.5° |
| C26 | C24 | C3 | 111.7° | 109.5° |
| C24 | C26 | H23 | 109.5° | 109.5° |
| C24 | C26 | H24 | 109.5° | 109.4° |
| C24 | C26 | H25 | 109.5° | 109.5° |
| C24 | C3 | C2 | 119.6° | 119.6° |
| C24 | C3 | C4 | 124.9° | 119.6° |
| N31 | C29 | C28 | 114.3° | 119.8° |
| N31 | C29 | O30 | 120.1° | 120.1° |
| C29 | N31 | H29 | 117.6° | 119.5° |
| C3 | C2 | C1 | 126.6° | 120.9° |
| C2 | C3 | C4 | 115.5° | 120.8° |
| C3 | C2 | H1 | 116.7° | 119.6° |
| C2 | C1 | C28 | 119.3° | 120.2° |
| C2 | C1 | C6 | 117.4° | 119.6° |
| C1 | C2 | H1 | 116.7° | 119.5° |
| C29 | C28 | C1 | 119.9° | 120.5° |
| C28 | C29 | O30 | 125.6° | 120.1° |
| C28 | C1 | C6 | 123.4° | 120.2° |
| C3 | C4 | O22 | 119.3° | 120.1° |
| C3 | C4 | C5 | 122.4° | 119.9° |
| C1 | C6 | C5 | 118.3° | 119.1° |
| C1 | C6 | N7 | 119.1° | 120.8° |
| O22 | C4 | C5 | 118.1° | 120.0° |
| C4 | O22 | C23 | 119.4° | 117.0° |
| C4 | C5 | C6 | 119.6° | 119.7° |
| C4 | C5 | C10 | 122.8° | 121.2° |
| C5 | C6 | N7 | 122.6° | 120.0° |
| C6 | C5 | C10 | 117.5° | 119.1° |
| C6 | N7 | C8 | 118.2° | 121.7° |
| O22 | C23 | H17 | 109.5° | 109.5° |
| O22 | C23 | H18 | 109.5° | 109.5° |
| O22 | C23 | H19 | 109.5° | 109.5° |
| C5 | C10 | C9 | 119.0° | 118.0° |
| C5 | C10 | H3 | 120.5° | 121.0° |
| N7 | C8 | C9 | 123.5° | 121.5° |
| N7 | C8 | H2 | 118.2° | 119.3° |
| C10 | C9 | C8 | 119.2° | 119.6° |
| C10 | C9 | N11 | 121.7° | 120.2° |
| C9 | C10 | H3 | 120.5° | 121.0° |
| C8 | C9 | N11 | 119.1° | 120.2° |
| C9 | C8 | H2 | 118.2° | 119.2° |
| C9 | N11 | C12 | 124.1° | 111.0° |
| C9 | N11 | C15 | 123.6° | 111.0° |
| C12 | N11 | C15 | 112.4° | 105.8° |
| N11 | C12 | C13 | 103.5° | 107.1° |
| N11 | C12 | H4 | 110.9° | 109.9° |
| N11 | C12 | H5 | 110.9° | 109.9° |
| N11 | C15 | C14 | 102.8° | 103.2° |
| N11 | C15 | H9 | 111.1° | 110.7° |
| N11 | C15 | H10 | 111.1° | 110.7° |
| C12 | C13 | C14 | 103.3° | 105.2° |
| C13 | C12 | H4 | 111.0° | 109.9° |
| C13 | C12 | H5 | 111.0° | 109.9° |
| C12 | C13 | H6 | 111.0° | 110.2° |
| C12 | C13 | H7 | 111.0° | 110.3° |
| C15 | C14 | C13 | 103.2° | 102.9° |
| C15 | C14 | C16 | 109.8° | 110.7° |
| C15 | C14 | H8 | 109.7° | 110.9° |
| C14 | C15 | H9 | 111.1° | 110.6° |
| C14 | C15 | H10 | 111.1° | 110.6° |
| C13 | C14 | C16 | 114.1° | 110.7° |
| C14 | C13 | H6 | 111.0° | 110.3° |
| C14 | C13 | H7 | 111.0° | 110.4° |
| C13 | C14 | H8 | 110.0° | 110.7° |
| C14 | C16 | N17 | 112.0° | 109.5° |
| C16 | C14 | H8 | 109.7° | 110.7° |
| C14 | C16 | H11 | 108.8° | 109.5° |
| C14 | C16 | H12 | 108.8° | 109.5° |
| C16 | N17 | S18 | 122.6° | 120.0° |
| N17 | C16 | H11 | 108.8° | 109.5° |
| N17 | C16 | H12 | 108.8° | 109.5° |
| C16 | N17 | H13 | 106.1° | 120.0° |
| N17 | S18 | O20 | 107.3° | 104.3° |
| N17 | S18 | C21 | 106.7° | 104.5° |
| N17 | S18 | O19 | 107.0° | 104.3° |
| S18 | N17 | H13 | 106.1° | 120.0° |
| O20 | S18 | C21 | 108.2° | 110.6° |
| O20 | S18 | O19 | 118.7° | 121.0° |
| C21 | S18 | O19 | 108.3° | 110.5° |
| S18 | C21 | H14 | 109.5° | 109.5° |
| S18 | C21 | H15 | 109.5° | 109.5° |
| S18 | C21 | H16 | 109.5° | 109.5° |
| H4 | C12 | H5 | 109.4° | 110.1° |
| H6 | C13 | H7 | 109.5° | 110.3° |
| H9 | C15 | H10 | 109.5° | 110.8° |
| H11 | C16 | H12 | 109.5° | 109.5° |
| H14 | C21 | H15 | 109.4° | 109.5° |
| H14 | C21 | H16 | 109.5° | 109.4° |
| H15 | C21 | H16 | 109.5° | 109.5° |
| H17 | C23 | H18 | 109.5° | 109.5° |
| H17 | C23 | H19 | 109.4° | 109.4° |
| H18 | C23 | H19 | 109.5° | 109.4° |
| H20 | C25 | H21 | 109.5° | 109.5° |
| H20 | C25 | H22 | 109.4° | 109.5° |
| H21 | C25 | H22 | 109.5° | 109.5° |
| H23 | C26 | H24 | 109.5° | 109.4° |
| H23 | C26 | H25 | 109.4° | 109.6° |
| H24 | C26 | H25 | 109.5° | 109.5° |
| H26 | C27 | H27 | 109.5° | 109.5° |
| H26 | C27 | H28 | 109.5° | 109.4° |
| H27 | C27 | H28 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C25 | C24 | C27 | C26 | 112.6° | 120.0° |
| C25 | C24 | C27 | C3 | 123.1° | 120.0° |
| C25 | C24 | C26 | C3 | 122.8° | 120.0° |
| C25 | C24 | C3 | C2 | 2.6° | 115.7° |
| C25 | C24 | C3 | C4 | 177.3° | 64.4° |
| C24 | C25 | H20 | H21 | 120.0° | 120.0° |
| C24 | C25 | H20 | H22 | 120.0° | 120.0° |
| C24 | C25 | H21 | H22 | 120.0° | 120.0° |
| C25 | C24 | C26 | H23 | 180.0° | 60.0° |
| C25 | C24 | C26 | H24 | 60.0° | 60.0° |
| C25 | C24 | C26 | H25 | 60.0° | 179.9° |
| C25 | C24 | C27 | H26 | 180.0° | 180.0° |
| C25 | C24 | C27 | H27 | 60.0° | 60.0° |
| C25 | C24 | C27 | H28 | 60.0° | 60.0° |
| C33 | C34 | C35 | H31 | 180.0° | 179.8° |
| C34 | C33 | N31 | H30 | 180.0° | 179.9° |
| C33 | C34 | C35 | C28 | 1.8° | 0.5° |
| C34 | C33 | N31 | C29 | 1.1° | 0.1° |
| C34 | C33 | N31 | H29 | 178.9° | 180.0° |
| C33 | C34 | C35 | H32 | 178.2° | 180.0° |
| C35 | C34 | C33 | N31 | 0.8° | 0.2° |
| C34 | C35 | C28 | H32 | 180.0° | 179.5° |
| C34 | C35 | C28 | C29 | 0.9° | 0.5° |
| C34 | C35 | C28 | C1 | 179.3° | 179.7° |
| C35 | C34 | C33 | H30 | 179.2° | 179.7° |
| C33 | N31 | C29 | H29 | 180.0° | 179.9° |
| C33 | N31 | C29 | C28 | 1.9° | 0.1° |
| C33 | N31 | C29 | O30 | 177.2° | 180.0° |
| N31 | C33 | C34 | H31 | 179.2° | 180.0° |
| C35 | C28 | C29 | N31 | 0.8° | 0.2° |
| C35 | C28 | C1 | C2 | 59.4° | 105.0° |
| C35 | C28 | C29 | C1 | 179.8° | 179.7° |
| C35 | C28 | C29 | O30 | 178.2° | 179.7° |
| C35 | C28 | C1 | C6 | 119.6° | 75.2° |
| C28 | C35 | C34 | H31 | 178.2° | 179.7° |
| C27 | C24 | C26 | C3 | 124.2° | 120.0° |
| C27 | C24 | C3 | C2 | 121.4° | 4.3° |
| C27 | C24 | C3 | C4 | 58.5° | 175.7° |
| C27 | C24 | C25 | H20 | 180.0° | 69.0° |
| C27 | C24 | C25 | H21 | 60.0° | 171.0° |
| C27 | C24 | C25 | H22 | 60.0° | 51.0° |
| C27 | C24 | C26 | H23 | 66.9° | 60.0° |
| C27 | C24 | C26 | H24 | 53.1° | 180.0° |
| C27 | C24 | C26 | H25 | 173.1° | 60.1° |
| C24 | C27 | H26 | H27 | 120.0° | 120.1° |
| C24 | C27 | H26 | H28 | 120.0° | 120.0° |
| C24 | C27 | H27 | H28 | 120.0° | 120.0° |
| C26 | C24 | C3 | C2 | 115.4° | 124.3° |
| C26 | C24 | C3 | C4 | 64.8° | 55.6° |
| C26 | C24 | C25 | H20 | 64.0° | 171.0° |
| C26 | C24 | C25 | H21 | 56.0° | 51.0° |
| C26 | C24 | C25 | H22 | 176.0° | 69.0° |
| C24 | C26 | H23 | H24 | 120.0° | 119.9° |
| C24 | C26 | H23 | H25 | 120.0° | 120.0° |
| C24 | C26 | H24 | H25 | 120.0° | 119.9° |
| C26 | C24 | C27 | H26 | 67.4° | 60.0° |
| C26 | C24 | C27 | H27 | 172.6° | 179.9° |
| C26 | C24 | C27 | H28 | 52.6° | 60.0° |
| C24 | C3 | C2 | C4 | 179.8° | 179.9° |
| C24 | C3 | C2 | C1 | 179.9° | 180.0° |
| C24 | C3 | C4 | O22 | 9.5° | 0.0° |
| C24 | C3 | C4 | C5 | 176.0° | 179.9° |
| C24 | C3 | C2 | H1 | 0.2° | 0.0° |
| C3 | C24 | C25 | H20 | 57.9° | 51.0° |
| C3 | C24 | C25 | H21 | 177.9° | 69.0° |
| C3 | C24 | C25 | H22 | 62.1° | 171.0° |
| C3 | C24 | C26 | H23 | 57.2° | 179.9° |
| C3 | C24 | C26 | H24 | 177.2° | 60.0° |
| C3 | C24 | C26 | H25 | 62.8° | 60.0° |
| C3 | C24 | C27 | H26 | 56.9° | 60.1° |
| C3 | C24 | C27 | H27 | 63.1° | 60.0° |
| C3 | C24 | C27 | H28 | 176.9° | 180.0° |
| N31 | C29 | C28 | O30 | 179.0° | 179.9° |
| N31 | C29 | C28 | C1 | 179.0° | 180.0° |
| C29 | N31 | C33 | H30 | 178.9° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | C28 | 178.1° | 179.7° |
| C3 | C2 | C1 | C6 | 2.9° | 0.1° |
| C2 | C3 | C4 | O22 | 170.7° | 179.9° |
| C2 | C3 | C4 | C5 | 3.8° | 0.0° |
| C2 | C1 | C28 | C29 | 120.8° | 74.7° |
| C2 | C1 | C28 | C6 | 179.0° | 179.8° |
| C1 | C2 | C3 | C4 | 0.3° | 0.1° |
| C2 | C1 | C6 | C5 | 1.3° | 0.0° |
| C2 | C1 | C6 | N7 | 176.1° | 180.0° |
| C29 | C28 | C1 | C6 | 60.2° | 105.0° |
| C28 | C29 | N31 | H29 | 178.1° | 180.0° |
| C29 | C28 | C35 | H32 | 179.1° | 180.0° |
| C1 | C28 | C29 | O30 | 2.0° | 0.0° |
| C28 | C1 | C6 | C5 | 179.6° | 179.7° |
| C28 | C1 | C6 | N7 | 2.9° | 0.2° |
| C28 | C1 | C2 | H1 | 2.0° | 0.3° |
| C1 | C28 | C35 | H32 | 0.7° | 0.2° |
| O30 | C29 | N31 | H29 | 2.8° | 0.1° |
| C3 | C4 | O22 | C5 | 174.7° | 179.9° |
| C3 | C4 | C5 | C6 | 5.3° | 0.0° |
| C3 | C4 | O22 | C23 | 110.0° | 104.6° |
| C3 | C4 | C5 | C10 | 172.3° | 180.0° |
| C4 | C3 | C2 | H1 | 179.7° | 180.0° |
| C1 | C6 | C5 | C4 | 2.4° | 0.0° |
| C1 | C6 | C5 | N7 | 177.4° | 180.0° |
| C1 | C6 | C5 | C10 | 175.3° | 180.0° |
| C1 | C6 | N7 | C8 | 177.0° | 180.0° |
| C6 | C1 | C2 | H1 | 177.1° | 179.9° |
| O22 | C4 | C5 | C6 | 169.3° | 179.9° |
| O22 | C4 | C5 | C10 | 13.1° | 0.1° |
| C4 | O22 | C23 | H17 | 180.0° | 53.8° |
| C4 | O22 | C23 | H18 | 60.0° | 66.2° |
| C4 | O22 | C23 | H19 | 60.0° | 173.8° |
| C4 | C5 | C6 | C10 | 177.7° | 180.0° |
| C4 | C5 | C6 | N7 | 179.8° | 180.0° |
| C5 | C4 | O22 | C23 | 64.8° | 75.5° |
| C4 | C5 | C10 | C9 | 179.9° | 180.0° |
| C4 | C5 | C10 | H3 | 0.1° | 0.0° |
| C5 | C6 | N7 | C8 | 0.4° | 0.0° |
| C6 | C5 | C10 | C9 | 2.4° | 0.0° |
| C6 | C5 | C10 | H3 | 177.6° | 180.0° |
| N7 | C6 | C5 | C10 | 2.1° | 0.0° |
| C6 | N7 | C8 | C9 | 1.0° | 0.0° |
| C6 | N7 | C8 | H2 | 179.0° | 180.0° |
| O22 | C23 | H17 | H18 | 120.0° | 120.1° |
| O22 | C23 | H17 | H19 | 120.0° | 120.0° |
| O22 | C23 | H18 | H19 | 120.0° | 120.0° |
| C5 | C10 | C9 | H3 | 180.0° | 180.0° |
| C5 | C10 | C9 | C8 | 1.2° | 0.1° |
| C5 | C10 | C9 | N11 | 179.5° | 180.0° |
| N7 | C8 | C9 | C10 | 0.6° | 0.0° |
| N7 | C8 | C9 | H2 | 180.0° | 180.0° |
| N7 | C8 | C9 | N11 | 177.8° | 180.0° |
| C10 | C9 | C8 | N11 | 178.4° | 179.9° |
| C10 | C9 | N11 | C12 | 2.7° | 59.9° |
| C10 | C9 | N11 | C15 | 177.8° | 57.5° |
| C10 | C9 | C8 | H2 | 179.4° | 180.0° |
| C8 | C9 | N11 | C12 | 175.6° | 120.1° |
| C8 | C9 | N11 | C15 | 3.8° | 122.5° |
| C8 | C9 | C10 | H3 | 178.8° | 180.0° |
| C9 | N11 | C12 | C15 | 179.5° | 120.5° |
| C9 | N11 | C12 | C13 | 167.9° | 145.9° |
| C9 | N11 | C15 | C14 | 168.2° | 159.7° |
| N11 | C9 | C8 | H2 | 2.2° | 0.0° |
| N11 | C9 | C10 | H3 | 0.5° | 0.0° |
| C9 | N11 | C12 | H4 | 48.8° | 26.5° |
| C9 | N11 | C12 | H5 | 73.1° | 94.8° |
| C9 | N11 | C15 | H9 | 49.2° | 81.9° |
| C9 | N11 | C15 | H10 | 72.9° | 41.3° |
| N11 | C12 | C13 | H4 | 119.0° | 119.4° |
| N11 | C12 | C13 | H5 | 119.1° | 119.3° |
| C12 | N11 | C15 | C14 | 12.3° | 39.2° |
| N11 | C12 | C13 | C14 | 31.0° | 1.3° |
| N11 | C12 | H4 | H5 | 122.8° | 121.2° |
| N11 | C12 | C13 | H6 | 88.0° | 120.2° |
| N11 | C12 | C13 | H7 | 150.0° | 117.7° |
| C12 | N11 | C15 | H9 | 131.3° | 157.6° |
| C12 | N11 | C15 | H10 | 106.6° | 79.2° |
| C15 | N11 | C12 | C13 | 11.6° | 25.3° |
| N11 | C15 | C14 | H9 | 118.9° | 118.4° |
| N11 | C15 | C14 | H10 | 118.9° | 118.4° |
| N11 | C15 | C14 | C13 | 31.2° | 37.4° |
| N11 | C15 | C14 | C16 | 153.4° | 155.8° |
| C15 | N11 | C12 | H4 | 130.7° | 94.0° |
| C15 | N11 | C12 | H5 | 107.4° | 144.7° |
| N11 | C15 | C14 | H8 | 86.0° | 81.0° |
| N11 | C15 | H9 | H10 | 123.1° | 123.1° |
| C12 | C13 | C14 | C15 | 38.8° | 21.9° |
| C12 | C13 | C14 | H6 | 119.0° | 118.9° |
| C12 | C13 | C14 | H7 | 119.0° | 118.9° |
| C12 | C13 | C14 | C16 | 158.0° | 140.3° |
| C13 | C12 | H4 | H5 | 122.8° | 121.2° |
| C12 | C13 | H6 | H7 | 122.9° | 122.1° |
| C12 | C13 | C14 | H8 | 78.2° | 96.6° |
| C15 | C14 | C13 | C16 | 119.2° | 118.4° |
| C15 | C14 | C13 | H8 | 117.0° | 118.5° |
| C15 | C14 | C16 | H8 | 120.7° | 123.4° |
| C15 | C14 | C16 | N17 | 177.7° | 180.0° |
| C15 | C14 | C13 | H6 | 80.2° | 96.9° |
| C15 | C14 | C13 | H7 | 157.8° | 140.9° |
| C14 | C15 | H9 | H10 | 123.1° | 123.1° |
| C15 | C14 | C16 | H11 | 57.3° | 60.0° |
| C15 | C14 | C16 | H12 | 61.9° | 60.0° |
| C13 | C14 | C16 | H8 | 123.9° | 123.1° |
| C13 | C14 | C16 | N17 | 66.9° | 66.4° |
| C14 | C13 | C12 | H4 | 150.0° | 118.1° |
| C14 | C13 | C12 | H5 | 88.1° | 120.6° |
| C14 | C13 | H6 | H7 | 122.9° | 122.2° |
| C13 | C14 | C15 | H9 | 150.2° | 155.8° |
| C13 | C14 | C15 | H10 | 87.7° | 81.0° |
| C13 | C14 | C16 | H11 | 172.7° | 173.6° |
| C13 | C14 | C16 | H12 | 53.5° | 53.6° |
| C14 | C16 | N17 | H11 | 120.4° | 120.0° |
| C14 | C16 | N17 | H12 | 120.4° | 120.0° |
| C14 | C16 | N17 | S18 | 102.1° | 165.0° |
| C16 | C14 | C13 | H6 | 39.0° | 21.4° |
| C16 | C14 | C13 | H7 | 83.0° | 100.8° |
| C16 | C14 | C15 | H9 | 87.7° | 85.8° |
| C16 | C14 | C15 | H10 | 34.4° | 37.3° |
| C14 | C16 | H11 | H12 | 118.8° | 120.0° |
| C14 | C16 | N17 | H13 | 136.1° | 15.0° |
| C16 | N17 | S18 | H13 | 121.8° | 180.0° |
| C16 | N17 | S18 | O20 | 39.3° | 51.1° |
| C16 | N17 | S18 | C21 | 76.6° | 65.0° |
| C16 | N17 | S18 | O19 | 167.7° | 178.9° |
| N17 | C16 | C14 | H8 | 57.0° | 56.7° |
| N17 | C16 | H11 | H12 | 118.8° | 120.0° |
| N17 | S18 | O20 | C21 | 114.9° | 111.8° |
| N17 | S18 | O20 | O19 | 121.3° | 116.7° |
| N17 | S18 | C21 | O19 | 114.9° | 111.6° |
| S18 | N17 | C16 | H11 | 18.3° | 45.0° |
| S18 | N17 | C16 | H12 | 137.6° | 75.0° |
| N17 | S18 | C21 | H14 | 180.0° | 59.9° |
| N17 | S18 | C21 | H15 | 60.0° | 180.0° |
| N17 | S18 | C21 | H16 | 60.0° | 60.0° |
| O20 | S18 | C21 | O19 | 129.9° | 136.7° |
| O20 | S18 | N17 | H13 | 161.0° | 128.9° |
| O20 | S18 | C21 | H14 | 64.7° | 171.6° |
| O20 | S18 | C21 | H15 | 55.3° | 68.4° |
| O20 | S18 | C21 | H16 | 175.3° | 51.7° |
| C21 | S18 | N17 | H13 | 45.2° | 115.0° |
| S18 | C21 | H14 | H15 | 120.0° | 120.1° |
| S18 | C21 | H14 | H16 | 120.0° | 120.0° |
| S18 | C21 | H15 | H16 | 120.0° | 120.1° |
| O19 | S18 | N17 | H13 | 70.5° | 1.1° |
| O19 | S18 | C21 | H14 | 65.1° | 51.7° |
| O19 | S18 | C21 | H15 | 174.9° | 68.4° |
| O19 | S18 | C21 | H16 | 54.9° | 171.6° |
| H4 | C12 | C13 | H6 | 31.0° | 0.8° |
| H4 | C12 | C13 | H7 | 91.0° | 122.9° |
| H5 | C12 | C13 | H6 | 152.9° | 120.5° |
| H5 | C12 | C13 | H7 | 30.9° | 1.6° |
| H6 | C13 | C14 | H8 | 162.8° | 144.5° |
| H7 | C13 | C14 | H8 | 40.8° | 22.3° |
| H8 | C14 | C15 | H9 | 33.0° | 37.4° |
| H8 | C14 | C15 | H10 | 155.1° | 160.6° |
| H8 | C14 | C16 | H11 | 63.3° | 63.3° |
| H8 | C14 | C16 | H12 | 177.4° | 176.7° |
| H11 | C16 | N17 | H13 | 103.5° | 135.0° |
| H12 | C16 | N17 | H13 | 15.8° | 105.0° |
| H14 | C21 | H15 | H16 | 120.0° | 119.9° |
| H17 | C23 | H18 | H19 | 120.0° | 119.9° |
| H20 | C25 | H21 | H22 | 120.0° | 120.0° |
| H23 | C26 | H24 | H25 | 119.9° | 120.1° |
| H26 | C27 | H27 | H28 | 120.0° | 119.9° |
| H29 | N31 | C33 | H30 | 1.1° | 0.1° |
| H30 | C33 | C34 | H31 | 0.8° | 0.1° |
| H31 | C34 | C35 | H32 | 1.8° | 0.2° |
