9GS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | N11 | sing | 1.47Å | 1.48Å | |
| C10 | C9 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| N11 | C12 | sing | 1.35Å | 1.37Å | |
| O13 | C12 | doub | 1.22Å | 1.23Å | |
| C9 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | N14 | sing | 1.35Å | 1.37Å | |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| N14 | C15 | sing | 1.47Å | 1.48Å | |
| N14 | C26 | sing | 1.40Å | 1.42Å | |
| C25 | C26 | doub | 1.40Å | 1.42Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C26 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C39 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | S3 | sing | 1.76Å | 1.78Å | |
| C20 | C16 | sing | 1.54Å | 1.52Å | |
| C20 | C19 | sing | 1.55Å | 1.55Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C35 | C37 | sing | 1.53Å | 1.53Å | |
| C35 | C34 | sing | 1.51Å | 1.51Å | |
| C24 | C23 | doub | 1.39Å | 1.40Å | Aromatic |
| O5 | S3 | doub | 1.42Å | 1.43Å | |
| C21 | C16 | sing | 1.50Å | 1.50Å | |
| C21 | N22 | doub | 1.32Å | 1.33Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C23 | N22 | sing | 1.33Å | 1.33Å | Aromatic |
| C23 | C27 | sing | 1.48Å | 1.48Å | |
| S3 | C2 | sing | 1.81Å | 1.82Å | |
| S3 | O4 | doub | 1.42Å | 1.43Å | |
| C19 | C18 | sing | 1.54Å | 1.55Å | |
| C34 | C27 | doub | 1.39Å | 1.41Å | Aromatic |
| C34 | N33 | sing | 1.32Å | 1.33Å | Aromatic |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.41Å | 1.42Å | Aromatic |
| C17 | C18 | sing | 1.54Å | 1.55Å | |
| N33 | C32 | doub | 1.32Å | 1.32Å | Aromatic |
| C28 | O29 | sing | 1.36Å | 1.37Å | |
| C28 | N31 | doub | 1.33Å | 1.34Å | Aromatic |
| C32 | N31 | sing | 1.32Å | 1.32Å | Aromatic |
| O29 | C30 | sing | 1.43Å | 1.44Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C8 | H2 | sing | 1.08Å | 1.08Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C15 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.08Å | 1.08Å | |
| N11 | H12 | sing | 0.97Å | 1.00Å | |
| C38 | H13 | sing | 1.08Å | 1.08Å | |
| C39 | H14 | sing | 1.08Å | 1.08Å | |
| C2 | H15 | sing | 1.09Å | 1.10Å | |
| C2 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H20 | sing | 1.09Å | 1.10Å | |
| C19 | H21 | sing | 1.09Å | 1.10Å | |
| C18 | H22 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.08Å | 1.08Å | |
| C35 | H25 | sing | 1.09Å | 1.10Å | |
| C37 | H26 | sing | 1.09Å | 1.10Å | |
| C37 | H27 | sing | 1.09Å | 1.10Å | |
| C36 | H28 | sing | 1.09Å | 1.10Å | |
| C36 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | H30 | sing | 1.08Å | 1.08Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.09Å | 1.10Å | |
| C30 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N11 | C10 | C9 | 112.2° | 109.5° |
| C10 | N11 | C12 | 124.9° | 120.0° |
| N11 | C10 | H3 | 108.8° | 109.5° |
| N11 | C10 | H4 | 108.8° | 109.5° |
| C10 | N11 | H12 | 117.5° | 119.9° |
| C10 | C9 | C8 | 121.4° | 120.0° |
| C10 | C9 | C38 | 120.2° | 120.0° |
| C9 | C10 | H3 | 108.8° | 109.5° |
| C9 | C10 | H4 | 108.8° | 109.5° |
| C9 | C8 | C7 | 120.3° | 120.0° |
| C8 | C9 | C38 | 118.4° | 120.0° |
| C9 | C8 | H2 | 119.8° | 120.0° |
| C8 | C7 | C6 | 121.1° | 120.0° |
| C8 | C7 | H1 | 119.5° | 120.0° |
| C7 | C8 | H2 | 119.9° | 120.0° |
| N11 | C12 | O13 | 119.5° | 120.0° |
| N11 | C12 | N14 | 119.9° | 120.0° |
| C12 | N11 | H12 | 117.5° | 120.0° |
| O13 | C12 | N14 | 120.6° | 120.0° |
| C9 | C38 | C39 | 121.3° | 120.0° |
| C9 | C38 | H13 | 119.4° | 120.0° |
| C12 | N14 | C15 | 123.8° | 125.1° |
| C12 | N14 | C26 | 127.7° | 125.0° |
| C7 | C6 | C39 | 118.1° | 120.0° |
| C7 | C6 | S3 | 122.1° | 120.0° |
| C6 | C7 | H1 | 119.5° | 120.0° |
| C15 | N14 | C26 | 108.1° | 109.9° |
| N14 | C15 | C16 | 106.3° | 104.8° |
| N14 | C15 | H5 | 110.3° | 110.3° |
| N14 | C15 | H6 | 110.3° | 110.4° |
| N14 | C26 | C25 | 131.2° | 129.5° |
| N14 | C26 | C21 | 111.7° | 111.8° |
| C26 | C25 | C24 | 120.2° | 118.9° |
| C25 | C26 | C21 | 116.6° | 118.7° |
| C26 | C25 | H24 | 119.9° | 120.5° |
| C25 | C24 | C23 | 118.7° | 119.2° |
| C25 | C24 | H11 | 120.7° | 120.4° |
| C24 | C25 | H24 | 119.9° | 120.6° |
| C15 | C16 | C20 | 111.5° | 111.2° |
| C15 | C16 | C21 | 105.1° | 105.7° |
| C15 | C16 | C17 | 111.3° | 111.6° |
| C16 | C15 | H5 | 110.3° | 110.4° |
| C16 | C15 | H6 | 110.3° | 110.4° |
| C26 | C21 | C16 | 108.4° | 107.8° |
| C26 | C21 | N22 | 121.7° | 120.8° |
| C38 | C39 | C6 | 120.8° | 120.0° |
| C39 | C38 | H13 | 119.3° | 120.1° |
| C38 | C39 | H14 | 119.6° | 120.0° |
| C39 | C6 | S3 | 119.7° | 120.0° |
| C6 | C39 | H14 | 119.6° | 120.0° |
| C6 | S3 | O5 | 105.8° | 104.3° |
| C6 | S3 | C2 | 105.2° | 104.4° |
| C6 | S3 | O4 | 106.3° | 104.3° |
| C16 | C20 | C19 | 107.5° | 102.7° |
| C20 | C16 | C21 | 111.0° | 111.4° |
| C20 | C16 | C17 | 106.6° | 105.4° |
| C16 | C20 | H9 | 110.0° | 110.8° |
| C16 | C20 | H10 | 110.0° | 110.7° |
| C20 | C19 | C18 | 106.7° | 104.3° |
| C19 | C20 | H9 | 110.0° | 110.8° |
| C19 | C20 | H10 | 110.0° | 110.8° |
| C20 | C19 | H20 | 110.1° | 110.5° |
| C20 | C19 | H21 | 110.2° | 110.4° |
| C35 | C36 | C37 | 59.9° | 60.0° |
| C36 | C35 | C37 | 60.1° | 60.0° |
| C36 | C35 | C34 | 118.8° | 117.5° |
| C36 | C35 | H25 | 116.7° | 117.5° |
| C35 | C36 | H28 | 120.0° | 117.5° |
| C35 | C36 | H29 | 120.0° | 117.5° |
| C36 | C37 | C35 | 60.0° | 60.0° |
| C36 | C37 | H26 | 120.0° | 117.5° |
| C36 | C37 | H27 | 120.0° | 117.5° |
| C37 | C36 | H28 | 120.0° | 117.5° |
| C37 | C36 | H29 | 120.0° | 117.5° |
| C37 | C35 | C34 | 114.7° | 117.5° |
| C37 | C35 | H25 | 116.8° | 117.5° |
| C35 | C37 | H26 | 120.0° | 117.5° |
| C35 | C37 | H27 | 120.0° | 117.5° |
| C35 | C34 | C27 | 122.1° | 120.5° |
| C35 | C34 | N33 | 118.8° | 120.5° |
| C34 | C35 | H25 | 117.2° | 115.5° |
| C24 | C23 | N22 | 120.0° | 120.5° |
| C24 | C23 | C27 | 121.1° | 119.8° |
| C23 | C24 | H11 | 120.6° | 120.4° |
| O5 | S3 | C2 | 108.7° | 110.5° |
| O5 | S3 | O4 | 119.4° | 121.0° |
| C16 | C21 | N22 | 130.0° | 131.3° |
| C21 | C16 | C17 | 111.3° | 111.7° |
| C21 | N22 | C23 | 122.6° | 122.0° |
| C16 | C17 | C18 | 105.4° | 106.3° |
| C16 | C17 | H7 | 110.5° | 110.1° |
| C16 | C17 | H8 | 110.5° | 110.1° |
| N22 | C23 | C27 | 118.6° | 119.7° |
| C23 | C27 | C34 | 124.5° | 121.0° |
| C23 | C27 | C28 | 117.8° | 121.0° |
| C2 | S3 | O4 | 110.5° | 110.5° |
| S3 | C2 | C1 | 113.0° | 109.5° |
| S3 | C2 | H15 | 108.6° | 109.5° |
| S3 | C2 | H16 | 108.6° | 109.5° |
| C19 | C18 | C17 | 105.9° | 106.6° |
| C18 | C19 | H20 | 110.2° | 110.5° |
| C18 | C19 | H21 | 110.1° | 110.5° |
| C19 | C18 | H22 | 110.4° | 110.0° |
| C19 | C18 | H23 | 110.4° | 110.0° |
| C27 | C34 | N33 | 119.0° | 119.0° |
| C34 | C27 | C28 | 117.7° | 118.1° |
| C34 | N33 | C32 | 121.5° | 121.1° |
| C1 | C2 | H15 | 108.6° | 109.4° |
| C1 | C2 | H16 | 108.6° | 109.5° |
| C2 | C1 | H17 | 109.5° | 109.5° |
| C2 | C1 | H18 | 109.5° | 109.5° |
| C2 | C1 | H19 | 109.5° | 109.5° |
| C27 | C28 | O29 | 120.3° | 120.5° |
| C27 | C28 | N31 | 118.4° | 118.8° |
| C18 | C17 | H7 | 110.4° | 110.1° |
| C18 | C17 | H8 | 110.5° | 110.1° |
| C17 | C18 | H22 | 110.3° | 110.0° |
| C17 | C18 | H23 | 110.3° | 110.1° |
| N33 | C32 | N31 | 121.7° | 122.1° |
| N33 | C32 | H30 | 119.1° | 119.0° |
| O29 | C28 | N31 | 121.3° | 120.6° |
| C28 | O29 | C30 | 121.2° | 117.0° |
| C28 | N31 | C32 | 121.7° | 120.9° |
| N31 | C32 | H30 | 119.1° | 119.0° |
| O29 | C30 | H31 | 109.5° | 109.5° |
| O29 | C30 | H32 | 109.5° | 109.5° |
| O29 | C30 | H33 | 109.5° | 109.5° |
| H3 | C10 | H4 | 109.5° | 109.4° |
| H5 | C15 | H6 | 109.5° | 110.4° |
| H7 | C17 | H8 | 109.5° | 110.1° |
| H9 | C20 | H10 | 109.4° | 110.8° |
| H15 | C2 | H16 | 109.5° | 109.5° |
| H17 | C1 | H18 | 109.5° | 109.5° |
| H17 | C1 | H19 | 109.4° | 109.5° |
| H18 | C1 | H19 | 109.5° | 109.4° |
| H20 | C19 | H21 | 109.5° | 110.5° |
| H22 | C18 | H23 | 109.5° | 110.1° |
| H26 | C37 | H27 | 109.5° | 115.6° |
| H28 | C36 | H29 | 109.5° | 115.6° |
| H31 | C30 | H32 | 109.5° | 109.5° |
| H31 | C30 | H33 | 109.4° | 109.5° |
| H32 | C30 | H33 | 109.4° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N11 | C10 | C9 | H3 | 120.4° | 120.0° |
| N11 | C10 | C9 | H4 | 120.4° | 120.0° |
| N11 | C10 | C9 | C8 | 145.6° | 90.0° |
| C10 | N11 | C12 | H12 | 180.0° | 180.0° |
| C10 | N11 | C12 | O13 | 0.1° | 5.1° |
| N11 | C10 | C9 | C38 | 35.4° | 90.0° |
| C10 | N11 | C12 | N14 | 178.9° | 174.9° |
| N11 | C10 | H3 | H4 | 118.7° | 119.9° |
| C10 | C9 | C8 | C38 | 179.1° | 180.0° |
| C10 | C9 | C8 | C7 | 179.4° | 180.0° |
| C9 | C10 | N11 | C12 | 73.5° | 180.0° |
| C10 | C9 | C38 | C39 | 179.7° | 179.9° |
| C10 | C9 | C8 | H2 | 0.6° | 0.0° |
| C9 | C10 | H3 | H4 | 118.8° | 120.0° |
| C9 | C10 | N11 | H12 | 106.5° | 0.0° |
| C10 | C9 | C38 | H13 | 0.3° | 0.0° |
| C9 | C8 | C7 | H2 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.5° | 0.0° |
| C8 | C9 | C38 | C39 | 1.2° | 0.1° |
| C9 | C8 | C7 | H1 | 179.6° | 180.0° |
| C8 | C9 | C10 | H3 | 25.1° | 30.0° |
| C8 | C9 | C10 | H4 | 94.0° | 150.0° |
| C8 | C9 | C38 | H13 | 178.8° | 180.0° |
| C7 | C8 | C9 | C38 | 0.3° | 0.0° |
| C8 | C7 | C6 | H1 | 180.0° | 180.0° |
| C8 | C7 | C6 | C39 | 1.5° | 0.0° |
| C8 | C7 | C6 | S3 | 178.4° | 179.8° |
| N11 | C12 | O13 | N14 | 179.1° | 180.0° |
| N11 | C12 | N14 | C15 | 3.0° | 5.3° |
| N11 | C12 | N14 | C26 | 174.9° | 174.7° |
| C12 | N11 | C10 | H3 | 46.9° | 60.0° |
| C12 | N11 | C10 | H4 | 166.1° | 60.0° |
| O13 | C12 | N14 | C15 | 177.9° | 174.7° |
| O13 | C12 | N14 | C26 | 6.1° | 5.3° |
| O13 | C12 | N11 | H12 | 179.8° | 174.9° |
| C9 | C38 | C39 | H13 | 180.0° | 179.9° |
| C9 | C38 | C39 | C6 | 2.3° | 0.1° |
| C38 | C9 | C8 | H2 | 179.7° | 180.0° |
| C38 | C9 | C10 | H3 | 155.8° | 150.0° |
| C38 | C9 | C10 | H4 | 85.1° | 30.0° |
| C9 | C38 | C39 | H14 | 177.7° | 179.8° |
| C12 | N14 | C15 | C26 | 173.2° | 180.0° |
| C12 | N14 | C26 | C25 | 4.8° | 0.0° |
| C12 | N14 | C15 | C16 | 166.9° | 180.0° |
| C12 | N14 | C26 | C21 | 166.4° | 180.0° |
| C12 | N14 | C15 | H5 | 47.4° | 61.2° |
| C12 | N14 | C15 | H6 | 73.6° | 61.2° |
| N14 | C12 | N11 | H12 | 1.1° | 5.1° |
| C7 | C6 | C39 | C38 | 2.4° | 0.0° |
| C7 | C6 | C39 | S3 | 177.0° | 179.7° |
| C7 | C6 | S3 | O5 | 33.2° | 154.2° |
| C7 | C6 | S3 | C2 | 81.8° | 89.7° |
| C7 | C6 | S3 | O4 | 161.0° | 26.4° |
| C6 | C7 | C8 | H2 | 179.6° | 180.0° |
| C7 | C6 | C39 | H14 | 177.6° | 179.7° |
| C15 | N14 | C26 | C25 | 177.7° | 180.0° |
| N14 | C15 | C16 | H5 | 119.5° | 118.8° |
| N14 | C15 | C16 | H6 | 119.5° | 118.9° |
| C15 | N14 | C26 | C21 | 6.5° | 0.0° |
| N14 | C15 | C16 | C20 | 124.3° | 121.0° |
| N14 | C15 | C16 | C21 | 3.9° | 0.0° |
| N14 | C15 | C16 | C17 | 116.7° | 121.6° |
| N14 | C15 | H5 | H6 | 121.5° | 122.4° |
| N14 | C26 | C25 | C21 | 170.8° | 179.9° |
| N14 | C26 | C25 | C24 | 174.6° | 180.0° |
| C26 | N14 | C15 | C16 | 6.3° | 0.0° |
| N14 | C26 | C21 | C16 | 3.9° | 0.0° |
| N14 | C26 | C21 | N22 | 176.2° | 179.9° |
| C26 | N14 | C15 | H5 | 125.8° | 118.8° |
| C26 | N14 | C15 | H6 | 113.2° | 118.8° |
| N14 | C26 | C25 | H24 | 5.4° | 0.1° |
| C26 | C25 | C24 | H24 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 1.5° | 0.1° |
| C25 | C26 | C21 | C16 | 176.5° | 180.0° |
| C25 | C26 | C21 | N22 | 3.6° | 0.0° |
| C26 | C25 | C24 | H11 | 178.5° | 180.0° |
| C24 | C25 | C26 | C21 | 3.8° | 0.1° |
| C25 | C24 | C23 | H11 | 180.0° | 179.9° |
| C25 | C24 | C23 | N22 | 1.3° | 0.1° |
| C25 | C24 | C23 | C27 | 175.4° | 179.9° |
| C15 | C16 | C21 | C26 | 0.2° | 0.0° |
| C15 | C16 | C20 | C21 | 116.9° | 117.6° |
| C15 | C16 | C20 | C17 | 121.7° | 121.1° |
| C15 | C16 | C20 | C19 | 141.8° | 84.3° |
| C15 | C16 | C21 | C17 | 120.6° | 121.5° |
| C15 | C16 | C21 | N22 | 179.7° | 179.9° |
| C15 | C16 | C17 | C18 | 150.2° | 98.3° |
| C16 | C15 | H5 | H6 | 121.4° | 122.3° |
| C15 | C16 | C17 | H7 | 90.5° | 142.4° |
| C15 | C16 | C17 | H8 | 30.8° | 20.9° |
| C15 | C16 | C20 | H9 | 22.0° | 34.0° |
| C15 | C16 | C20 | H10 | 98.5° | 157.3° |
| C26 | C21 | C16 | C20 | 120.9° | 120.9° |
| C26 | C21 | C16 | N22 | 179.9° | 179.9° |
| C26 | C21 | C16 | C17 | 120.5° | 121.5° |
| C26 | C21 | N22 | C23 | 1.0° | 0.1° |
| C21 | C26 | C25 | H24 | 176.3° | 180.0° |
| C38 | C39 | C6 | H14 | 180.0° | 179.7° |
| C38 | C39 | C6 | S3 | 179.4° | 179.7° |
| C39 | C6 | S3 | O5 | 149.9° | 26.1° |
| C39 | C6 | S3 | C2 | 95.2° | 90.0° |
| C39 | C6 | S3 | O4 | 22.0° | 153.9° |
| C39 | C6 | C7 | H1 | 178.5° | 180.0° |
| C6 | C39 | C38 | H13 | 177.7° | 180.0° |
| C6 | S3 | O5 | C2 | 112.5° | 111.7° |
| C6 | S3 | O5 | O4 | 119.6° | 116.8° |
| C6 | S3 | C2 | O4 | 114.3° | 111.7° |
| C6 | S3 | C2 | C1 | 42.0° | 180.0° |
| S3 | C6 | C7 | H1 | 1.6° | 0.2° |
| S3 | C6 | C39 | H14 | 0.6° | 0.0° |
| C6 | S3 | C2 | H15 | 78.5° | 60.0° |
| C6 | S3 | C2 | H16 | 162.6° | 60.0° |
| C16 | C20 | C19 | H9 | 119.7° | 118.3° |
| C16 | C20 | C19 | H10 | 119.7° | 118.2° |
| C20 | C16 | C21 | C17 | 118.6° | 117.6° |
| C20 | C16 | C21 | N22 | 59.0° | 59.0° |
| C16 | C20 | C19 | C18 | 3.9° | 36.8° |
| C20 | C16 | C17 | C18 | 28.3° | 22.5° |
| C20 | C16 | C15 | H5 | 116.1° | 120.2° |
| C20 | C16 | C15 | H6 | 4.8° | 2.1° |
| C20 | C16 | C17 | H7 | 147.6° | 96.7° |
| C20 | C16 | C17 | H8 | 91.1° | 141.7° |
| C16 | C20 | H9 | H10 | 120.9° | 123.3° |
| C16 | C20 | C19 | H20 | 123.5° | 81.9° |
| C16 | C20 | C19 | H21 | 115.7° | 155.5° |
| C19 | C20 | C16 | C21 | 101.3° | 158.0° |
| C19 | C20 | C16 | C17 | 20.0° | 36.8° |
| C20 | C19 | C18 | H20 | 119.6° | 118.7° |
| C20 | C19 | C18 | H21 | 119.6° | 118.6° |
| C20 | C19 | C18 | C17 | 13.4° | 23.4° |
| C19 | C20 | H9 | H10 | 120.9° | 123.5° |
| C20 | C19 | H20 | H21 | 121.3° | 122.5° |
| C20 | C19 | C18 | H22 | 132.8° | 95.8° |
| C20 | C19 | C18 | H23 | 106.0° | 142.7° |
| C35 | C36 | C37 | H28 | 109.5° | 107.5° |
| C35 | C36 | C37 | H29 | 109.4° | 107.4° |
| C36 | C35 | C37 | C34 | 110.3° | 107.5° |
| C36 | C35 | C37 | H25 | 106.9° | 107.5° |
| C36 | C35 | C34 | H25 | 149.4° | 145.7° |
| C36 | C35 | C34 | C27 | 158.4° | 166.7° |
| C36 | C35 | C34 | N33 | 21.1° | 13.3° |
| C35 | C36 | C37 | H26 | 109.5° | 107.5° |
| C35 | C36 | C37 | H27 | 109.4° | 107.5° |
| C35 | C36 | H28 | H29 | 144.8° | 145.7° |
| C36 | C37 | H26 | H27 | 144.8° | 145.7° |
| C37 | C36 | H28 | H29 | 144.8° | 145.8° |
| C37 | C35 | C34 | H25 | 142.6° | 145.7° |
| C37 | C35 | C34 | C27 | 90.3° | 124.7° |
| C37 | C35 | C34 | N33 | 89.2° | 55.3° |
| C35 | C37 | H26 | H27 | 144.7° | 145.7° |
| C35 | C34 | C27 | C23 | 1.3° | 0.0° |
| C35 | C34 | C27 | N33 | 179.5° | 180.0° |
| C35 | C34 | C27 | C28 | 179.3° | 180.0° |
| C35 | C34 | N33 | C32 | 179.7° | 180.0° |
| C34 | C35 | C37 | H26 | 140.2° | 0.0° |
| C34 | C35 | C37 | H27 | 0.8° | 145.0° |
| C34 | C35 | C36 | H28 | 147.0° | 145.0° |
| C34 | C35 | C36 | H29 | 5.9° | 0.0° |
| C24 | C23 | N22 | C21 | 1.5° | 0.0° |
| C24 | C23 | N22 | C27 | 174.2° | 180.0° |
| C24 | C23 | C27 | C34 | 100.7° | 130.8° |
| C24 | C23 | C27 | C28 | 81.3° | 49.1° |
| C23 | C24 | C25 | H24 | 178.6° | 180.0° |
| O5 | S3 | C2 | O4 | 132.7° | 136.7° |
| O5 | S3 | C2 | C1 | 155.0° | 68.3° |
| O5 | S3 | C2 | H15 | 34.5° | 51.6° |
| O5 | S3 | C2 | H16 | 84.4° | 171.7° |
| C16 | C21 | N22 | C23 | 179.1° | 180.0° |
| C21 | C16 | C17 | C18 | 92.9° | 143.6° |
| C21 | C16 | C15 | H5 | 123.4° | 118.8° |
| C21 | C16 | C15 | H6 | 115.6° | 118.9° |
| C21 | C16 | C17 | H7 | 26.4° | 24.4° |
| C21 | C16 | C17 | H8 | 147.7° | 97.2° |
| C21 | C16 | C20 | H9 | 138.9° | 83.6° |
| C21 | C16 | C20 | H10 | 18.4° | 39.7° |
| N22 | C21 | C16 | C17 | 59.6° | 58.6° |
| C21 | N22 | C23 | C27 | 175.8° | 180.0° |
| C16 | C17 | C18 | C19 | 25.6° | 0.7° |
| C16 | C17 | C18 | H7 | 119.4° | 119.2° |
| C16 | C17 | C18 | H8 | 119.4° | 119.2° |
| C17 | C16 | C15 | H5 | 2.8° | 2.8° |
| C17 | C16 | C15 | H6 | 123.8° | 119.5° |
| C16 | C17 | H7 | H8 | 121.9° | 121.5° |
| C17 | C16 | C20 | H9 | 99.7° | 155.1° |
| C17 | C16 | C20 | H10 | 139.7° | 81.6° |
| C16 | C17 | C18 | H22 | 145.1° | 118.5° |
| C16 | C17 | C18 | H23 | 93.9° | 120.0° |
| N22 | C23 | C27 | C34 | 85.1° | 49.2° |
| N22 | C23 | C27 | C28 | 92.9° | 130.9° |
| N22 | C23 | C24 | H11 | 178.8° | 180.0° |
| C23 | C27 | C34 | C28 | 178.0° | 179.9° |
| C23 | C27 | C34 | N33 | 178.2° | 179.9° |
| C23 | C27 | C28 | O29 | 0.3° | 0.0° |
| C23 | C27 | C28 | N31 | 178.3° | 179.7° |
| C27 | C23 | C24 | H11 | 4.6° | 0.0° |
| S3 | C2 | C1 | H15 | 120.5° | 120.0° |
| S3 | C2 | C1 | H16 | 120.6° | 120.0° |
| S3 | C2 | H15 | H16 | 118.4° | 120.0° |
| S3 | C2 | C1 | H17 | 180.0° | 60.0° |
| S3 | C2 | C1 | H18 | 60.0° | 60.0° |
| S3 | C2 | C1 | H19 | 60.0° | 180.0° |
| O4 | S3 | C2 | C1 | 72.3° | 68.3° |
| O4 | S3 | C2 | H15 | 167.2° | 171.7° |
| O4 | S3 | C2 | H16 | 48.3° | 51.6° |
| C19 | C18 | C17 | H22 | 119.5° | 119.2° |
| C19 | C18 | C17 | H23 | 119.5° | 119.3° |
| C19 | C18 | C17 | H7 | 144.9° | 119.9° |
| C19 | C18 | C17 | H8 | 93.8° | 118.5° |
| C18 | C19 | C20 | H9 | 115.8° | 155.1° |
| C18 | C19 | C20 | H10 | 123.6° | 81.4° |
| C18 | C19 | H20 | H21 | 121.3° | 122.6° |
| C19 | C18 | H22 | H23 | 121.7° | 121.4° |
| C27 | C34 | N33 | C32 | 0.2° | 0.0° |
| C34 | C27 | C28 | O29 | 177.9° | 180.0° |
| C34 | C27 | C28 | N31 | 0.1° | 0.3° |
| C27 | C34 | C35 | H25 | 52.3° | 21.0° |
| N33 | C34 | C27 | C28 | 0.2° | 0.0° |
| C34 | N33 | C32 | N31 | 0.7° | 0.3° |
| N33 | C34 | C35 | H25 | 128.2° | 159.0° |
| C34 | N33 | C32 | H30 | 179.3° | 180.0° |
| C1 | C2 | H15 | H16 | 118.3° | 120.0° |
| C2 | C1 | H17 | H18 | 120.0° | 120.1° |
| C2 | C1 | H17 | H19 | 120.0° | 120.0° |
| C2 | C1 | H18 | H19 | 120.0° | 120.0° |
| C27 | C28 | O29 | N31 | 177.9° | 179.7° |
| C27 | C28 | N31 | C32 | 0.4° | 0.5° |
| C27 | C28 | O29 | C30 | 156.3° | 179.7° |
| C18 | C17 | H7 | H8 | 121.9° | 121.6° |
| C17 | C18 | C19 | H20 | 106.2° | 95.3° |
| C17 | C18 | C19 | H21 | 133.0° | 142.0° |
| C17 | C18 | H22 | H23 | 121.6° | 121.4° |
| N33 | C32 | N31 | C28 | 0.8° | 0.6° |
| N33 | C32 | N31 | H30 | 180.0° | 179.7° |
| O29 | C28 | N31 | C32 | 178.4° | 179.7° |
| C28 | O29 | C30 | H31 | 180.0° | 60.0° |
| C28 | O29 | C30 | H32 | 60.0° | 60.0° |
| C28 | O29 | C30 | H33 | 60.0° | 180.0° |
| N31 | C28 | O29 | C30 | 25.7° | 0.0° |
| C28 | N31 | C32 | H30 | 179.2° | 179.7° |
| O29 | C30 | H31 | H32 | 120.0° | 120.1° |
| O29 | C30 | H31 | H33 | 120.0° | 120.0° |
| O29 | C30 | H32 | H33 | 120.0° | 120.0° |
| H1 | C7 | C8 | H2 | 0.4° | 0.0° |
| H3 | C10 | N11 | H12 | 133.1° | 120.0° |
| H4 | C10 | N11 | H12 | 13.9° | 120.0° |
| H7 | C17 | C18 | H22 | 95.6° | 0.7° |
| H7 | C17 | C18 | H23 | 25.5° | 120.7° |
| H8 | C17 | C18 | H22 | 25.7° | 122.3° |
| H8 | C17 | C18 | H23 | 146.8° | 0.9° |
| H9 | C20 | C19 | H20 | 3.8° | 36.4° |
| H9 | C20 | C19 | H21 | 124.6° | 86.2° |
| H10 | C20 | C19 | H20 | 116.8° | 159.9° |
| H10 | C20 | C19 | H21 | 4.1° | 37.3° |
| H11 | C24 | C25 | H24 | 1.4° | 0.1° |
| H13 | C38 | C39 | H14 | 2.3° | 0.3° |
| H15 | C2 | C1 | H17 | 59.5° | 180.0° |
| H15 | C2 | C1 | H18 | 179.5° | 60.0° |
| H15 | C2 | C1 | H19 | 60.5° | 60.0° |
| H16 | C2 | C1 | H17 | 59.4° | 59.9° |
| H16 | C2 | C1 | H18 | 60.6° | 180.0° |
| H16 | C2 | C1 | H19 | 179.4° | 60.0° |
| H17 | C1 | H18 | H19 | 119.9° | 120.0° |
| H20 | C19 | C18 | H22 | 13.3° | 145.5° |
| H20 | C19 | C18 | H23 | 134.4° | 24.0° |
| H21 | C19 | C18 | H22 | 107.6° | 22.8° |
| H21 | C19 | C18 | H23 | 13.5° | 98.6° |
| H25 | C35 | C37 | H26 | 2.5° | 145.0° |
| H25 | C35 | C37 | H27 | 143.6° | 0.0° |
| H25 | C35 | C36 | H28 | 2.5° | 0.0° |
| H25 | C35 | C36 | H29 | 143.6° | 145.0° |
| H26 | C37 | C36 | H28 | 0.0° | 145.0° |
| H26 | C37 | C36 | H29 | 141.1° | 0.0° |
| H27 | C37 | C36 | H28 | 141.1° | 0.0° |
| H27 | C37 | C36 | H29 | 0.0° | 145.0° |
| H31 | C30 | H32 | H33 | 119.9° | 119.9° |
