4LY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O42 | S02 | doub | 1.42Å | 1.44Å | |
| O01 | S02 | doub | 1.42Å | 1.44Å | |
| C40 | S02 | sing | 1.81Å | 1.83Å | |
| C40 | C41 | sing | 1.53Å | 1.51Å | |
| S02 | N03 | sing | 1.66Å | 1.69Å | |
| N03 | C04 | sing | 1.48Å | 1.48Å | |
| N03 | C39 | sing | 1.48Å | 1.50Å | |
| C31 | C32 | sing | 1.50Å | 1.67Å | |
| C31 | N29 | sing | 1.47Å | 1.25Å | |
| C32 | C26 | doub | 1.32Å | 1.35Å | |
| C04 | C05 | sing | 1.54Å | 1.41Å | |
| C39 | C05 | sing | 1.54Å | 1.44Å | |
| N38 | C37 | doub | 1.31Å | 1.37Å | Aromatic |
| N38 | N09 | sing | 1.40Å | 1.36Å | Aromatic |
| C37 | C11 | sing | 1.41Å | 1.38Å | Aromatic |
| F34 | C33 | sing | 1.35Å | 1.37Å | |
| N09 | C05 | sing | 1.47Å | 1.40Å | |
| N09 | C10 | sing | 1.35Å | 1.32Å | Aromatic |
| C05 | C06 | sing | 1.53Å | 1.56Å | |
| C11 | C10 | doub | 1.37Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.48Å | 1.52Å | |
| C30 | N29 | sing | 1.47Å | 1.26Å | |
| N29 | C28 | sing | 1.47Å | 1.56Å | |
| C33 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | C25 | sing | 1.40Å | 1.37Å | Aromatic |
| C12 | N36 | doub | 1.33Å | 1.33Å | Aromatic |
| C12 | C13 | sing | 1.41Å | 1.41Å | Aromatic |
| C35 | C21 | sing | 1.39Å | 1.39Å | Aromatic |
| C17 | C13 | sing | 1.46Å | 1.43Å | Aromatic |
| C17 | C16 | doub | 1.34Å | 1.36Å | Aromatic |
| C26 | C25 | sing | 1.48Å | 1.54Å | |
| C26 | C27 | sing | 1.50Å | 1.50Å | |
| N36 | C19 | sing | 1.33Å | 1.31Å | Aromatic |
| C13 | C14 | doub | 1.41Å | 1.38Å | Aromatic |
| C25 | C23 | doub | 1.40Å | 1.37Å | Aromatic |
| C16 | N15 | sing | 1.37Å | 1.35Å | Aromatic |
| C19 | N20 | sing | 1.39Å | 1.42Å | |
| C19 | N18 | doub | 1.32Å | 1.31Å | Aromatic |
| C21 | N20 | sing | 1.40Å | 1.43Å | |
| C21 | C22 | doub | 1.39Å | 1.37Å | Aromatic |
| C14 | N15 | sing | 1.37Å | 1.35Å | Aromatic |
| C14 | N18 | sing | 1.33Å | 1.34Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.37Å | Aromatic |
| C23 | F24 | sing | 1.35Å | 1.35Å | |
| C06 | C07 | sing | 1.47Å | 1.50Å | |
| C28 | C27 | sing | 1.53Å | 1.45Å | |
| C07 | N08 | trip | 1.14Å | 1.14Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C28 | H4 | sing | 1.09Å | 1.10Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C04 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.09Å | 1.10Å | |
| C06 | H8 | sing | 1.09Å | 1.10Å | |
| C06 | H9 | sing | 1.09Å | 1.10Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C27 | H11 | sing | 1.09Å | 1.10Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C30 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H15 | sing | 1.09Å | 1.10Å | |
| C31 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.09Å | 1.10Å | |
| C32 | H18 | sing | 1.08Å | 1.08Å | |
| C35 | H19 | sing | 1.08Å | 1.08Å | |
| C37 | H20 | sing | 1.08Å | 1.08Å | |
| C39 | H21 | sing | 1.09Å | 1.10Å | |
| C39 | H22 | sing | 1.09Å | 1.10Å | |
| C40 | H23 | sing | 1.09Å | 1.10Å | |
| C40 | H24 | sing | 1.09Å | 1.10Å | |
| C41 | H25 | sing | 1.09Å | 1.10Å | |
| C41 | H26 | sing | 1.09Å | 1.10Å | |
| C41 | H27 | sing | 1.09Å | 1.10Å | |
| N15 | H28 | sing | 0.97Å | 1.00Å | |
| N20 | H29 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O42 | S02 | O01 | 111.0° | 121.0° |
| O42 | S02 | C40 | 108.1° | 110.5° |
| O42 | S02 | N03 | 107.3° | 104.2° |
| O01 | S02 | C40 | 110.4° | 110.6° |
| O01 | S02 | N03 | 109.3° | 104.3° |
| S02 | C40 | C41 | 108.0° | 109.5° |
| C40 | S02 | N03 | 110.6° | 104.5° |
| S02 | C40 | H23 | 109.8° | 109.5° |
| S02 | C40 | H24 | 109.8° | 109.5° |
| C41 | C40 | H23 | 109.8° | 109.5° |
| C41 | C40 | H24 | 109.8° | 109.5° |
| C40 | C41 | H25 | 109.5° | 109.4° |
| C40 | C41 | H26 | 109.5° | 109.5° |
| C40 | C41 | H27 | 109.5° | 109.5° |
| S02 | N03 | C04 | 126.0° | 134.5° |
| S02 | N03 | C39 | 129.6° | 134.5° |
| C04 | N03 | C39 | 91.5° | 91.0° |
| N03 | C04 | C05 | 86.8° | 86.1° |
| N03 | C04 | H6 | 114.8° | 113.7° |
| N03 | C04 | H7 | 114.8° | 113.9° |
| N03 | C39 | C05 | 85.0° | 86.1° |
| N03 | C39 | H21 | 115.2° | 113.8° |
| N03 | C39 | H22 | 115.2° | 113.8° |
| C32 | C31 | N29 | 111.8° | 110.3° |
| C31 | C32 | C26 | 115.1° | 123.0° |
| C32 | C31 | H16 | 108.9° | 109.3° |
| C32 | C31 | H17 | 108.9° | 109.3° |
| C31 | C32 | H18 | 122.5° | 118.5° |
| C31 | N29 | C30 | 109.3° | 111.0° |
| C31 | N29 | C28 | 115.0° | 110.4° |
| N29 | C31 | H16 | 108.9° | 109.3° |
| N29 | C31 | H17 | 108.9° | 109.3° |
| C32 | C26 | C25 | 118.3° | 118.7° |
| C32 | C26 | C27 | 123.2° | 122.6° |
| C26 | C32 | H18 | 122.4° | 118.5° |
| C04 | C05 | C39 | 96.7° | 86.3° |
| C04 | C05 | N09 | 120.4° | 113.7° |
| C04 | C05 | C06 | 104.0° | 113.8° |
| C05 | C04 | H6 | 114.8° | 113.8° |
| C05 | C04 | H7 | 114.8° | 113.8° |
| C39 | C05 | N09 | 118.1° | 113.9° |
| C39 | C05 | C06 | 111.1° | 113.8° |
| C05 | C39 | H21 | 115.2° | 113.8° |
| C05 | C39 | H22 | 115.2° | 113.7° |
| C37 | N38 | N09 | 109.2° | 108.6° |
| N38 | C37 | C11 | 105.0° | 108.0° |
| N38 | C37 | H20 | 127.5° | 126.0° |
| N38 | N09 | C05 | 121.7° | 125.9° |
| N38 | N09 | C10 | 110.1° | 108.3° |
| C37 | C11 | C10 | 109.2° | 107.5° |
| C37 | C11 | C12 | 120.8° | 126.2° |
| C11 | C37 | H20 | 127.5° | 126.0° |
| F34 | C33 | C35 | 115.5° | 120.0° |
| F34 | C33 | C25 | 123.0° | 120.0° |
| C05 | N09 | C10 | 128.2° | 125.8° |
| N09 | C05 | C06 | 105.7° | 112.9° |
| N09 | C10 | C11 | 106.4° | 107.6° |
| N09 | C10 | H1 | 126.8° | 126.2° |
| C05 | C06 | C07 | 115.6° | 109.5° |
| C05 | C06 | H8 | 107.9° | 109.4° |
| C05 | C06 | H9 | 107.9° | 109.5° |
| C10 | C11 | C12 | 129.2° | 126.3° |
| C11 | C10 | H1 | 126.8° | 126.2° |
| C11 | C12 | N36 | 115.8° | 120.8° |
| C11 | C12 | C13 | 124.3° | 120.8° |
| C30 | N29 | C28 | 111.0° | 111.1° |
| N29 | C30 | H13 | 109.5° | 109.4° |
| N29 | C30 | H14 | 109.5° | 109.5° |
| N29 | C30 | H15 | 109.5° | 109.5° |
| N29 | C28 | C27 | 112.1° | 108.5° |
| N29 | C28 | H4 | 108.8° | 109.6° |
| N29 | C28 | H5 | 108.8° | 109.8° |
| C35 | C33 | C25 | 121.5° | 119.9° |
| C33 | C35 | C21 | 118.1° | 120.1° |
| C33 | C35 | H19 | 120.9° | 120.0° |
| C33 | C25 | C26 | 121.6° | 120.1° |
| C33 | C25 | C23 | 118.7° | 119.8° |
| N36 | C12 | C13 | 119.7° | 118.4° |
| C12 | N36 | C19 | 119.8° | 121.0° |
| C12 | C13 | C17 | 137.1° | 135.0° |
| C12 | C13 | C14 | 116.6° | 118.8° |
| C35 | C21 | N20 | 126.8° | 119.9° |
| C35 | C21 | C22 | 120.5° | 120.2° |
| C21 | C35 | H19 | 120.9° | 120.0° |
| C13 | C17 | C16 | 105.9° | 106.8° |
| C17 | C13 | C14 | 106.3° | 106.2° |
| C13 | C17 | H2 | 127.0° | 126.6° |
| C17 | C16 | N15 | 110.3° | 109.9° |
| C16 | C17 | H2 | 127.0° | 126.6° |
| C17 | C16 | H10 | 124.8° | 125.1° |
| C25 | C26 | C27 | 117.6° | 118.7° |
| C26 | C25 | C23 | 119.7° | 120.1° |
| C26 | C27 | C28 | 115.9° | 109.7° |
| C26 | C27 | H11 | 107.8° | 109.4° |
| C26 | C27 | H12 | 107.9° | 109.4° |
| N36 | C19 | N20 | 120.4° | 118.7° |
| N36 | C19 | N18 | 124.5° | 122.5° |
| C13 | C14 | N15 | 109.1° | 107.2° |
| C13 | C14 | N18 | 121.3° | 118.6° |
| C25 | C23 | C22 | 121.7° | 119.9° |
| C25 | C23 | F24 | 120.3° | 120.0° |
| C16 | N15 | C14 | 108.3° | 110.0° |
| N15 | C16 | H10 | 124.8° | 125.1° |
| C16 | N15 | H28 | 125.8° | 125.0° |
| N20 | C19 | N18 | 115.1° | 118.7° |
| C19 | N20 | C21 | 126.3° | 120.0° |
| C19 | N20 | H29 | 116.8° | 120.0° |
| C19 | N18 | C14 | 118.2° | 120.8° |
| N20 | C21 | C22 | 112.6° | 119.9° |
| C21 | N20 | H29 | 116.9° | 120.0° |
| C21 | C22 | C23 | 119.5° | 120.0° |
| C21 | C22 | H3 | 120.3° | 120.0° |
| N15 | C14 | N18 | 129.6° | 134.3° |
| C14 | N15 | H28 | 125.8° | 125.0° |
| C22 | C23 | F24 | 118.0° | 120.0° |
| C23 | C22 | H3 | 120.2° | 120.0° |
| C06 | C07 | N08 | 172.6° | 180.0° |
| C07 | C06 | H8 | 107.9° | 109.5° |
| C07 | C06 | H9 | 107.9° | 109.5° |
| C27 | C28 | H4 | 108.8° | 109.6° |
| C27 | C28 | H5 | 108.8° | 109.7° |
| C28 | C27 | H11 | 107.8° | 109.4° |
| C28 | C27 | H12 | 107.8° | 109.5° |
| H4 | C28 | H5 | 109.4° | 109.6° |
| H6 | C04 | H7 | 109.5° | 113.0° |
| H8 | C06 | H9 | 109.5° | 109.5° |
| H11 | C27 | H12 | 109.5° | 109.3° |
| H13 | C30 | H14 | 109.5° | 109.4° |
| H13 | C30 | H15 | 109.5° | 109.5° |
| H14 | C30 | H15 | 109.4° | 109.5° |
| H16 | C31 | H17 | 109.5° | 109.2° |
| H21 | C39 | H22 | 109.5° | 113.0° |
| H23 | C40 | H24 | 109.5° | 109.4° |
| H25 | C41 | H26 | 109.5° | 109.5° |
| H25 | C41 | H27 | 109.5° | 109.5° |
| H26 | C41 | H27 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O42 | S02 | O01 | C40 | 119.9° | 131.5° |
| O42 | S02 | O01 | N03 | 118.2° | 116.7° |
| O42 | S02 | C40 | N03 | 117.3° | 111.6° |
| O42 | S02 | C40 | C41 | 68.2° | 68.4° |
| O42 | S02 | N03 | C04 | 21.3° | 154.0° |
| O42 | S02 | N03 | C39 | 108.6° | 26.1° |
| O42 | S02 | C40 | H23 | 172.0° | 51.6° |
| O42 | S02 | C40 | H24 | 51.6° | 171.6° |
| O01 | S02 | C40 | N03 | 121.1° | 111.7° |
| O01 | S02 | C40 | C41 | 170.1° | 68.4° |
| O01 | S02 | N03 | C04 | 141.8° | 26.1° |
| O01 | S02 | N03 | C39 | 11.8° | 153.9° |
| O01 | S02 | C40 | H23 | 50.4° | 171.6° |
| O01 | S02 | C40 | H24 | 70.1° | 51.6° |
| S02 | C40 | C41 | H23 | 119.7° | 120.0° |
| S02 | C40 | C41 | H24 | 119.8° | 120.0° |
| C40 | S02 | N03 | C04 | 96.5° | 90.0° |
| C40 | S02 | N03 | C39 | 133.6° | 89.9° |
| S02 | C40 | H23 | H24 | 120.7° | 120.0° |
| S02 | C40 | C41 | H25 | 180.0° | 60.0° |
| S02 | C40 | C41 | H26 | 60.0° | 60.0° |
| S02 | C40 | C41 | H27 | 60.0° | 180.0° |
| C41 | C40 | S02 | N03 | 49.1° | 180.0° |
| C41 | C40 | H23 | H24 | 120.7° | 120.0° |
| C40 | C41 | H25 | H26 | 120.0° | 120.0° |
| C40 | C41 | H25 | H27 | 120.0° | 120.0° |
| C40 | C41 | H26 | H27 | 120.0° | 120.0° |
| S02 | N03 | C04 | C39 | 143.7° | 180.0° |
| S02 | N03 | C04 | C05 | 141.5° | 155.4° |
| S02 | N03 | C39 | C05 | 139.5° | 155.4° |
| S02 | N03 | C04 | H6 | 102.6° | 41.1° |
| S02 | N03 | C04 | H7 | 25.6° | 90.3° |
| S02 | N03 | C39 | H21 | 24.0° | 90.3° |
| S02 | N03 | C39 | H22 | 105.0° | 41.1° |
| N03 | S02 | C40 | H23 | 70.7° | 60.0° |
| N03 | S02 | C40 | H24 | 168.8° | 60.0° |
| N03 | C04 | C05 | H6 | 115.9° | 114.3° |
| N03 | C04 | C05 | H7 | 115.9° | 114.4° |
| C04 | N03 | C39 | C05 | 2.2° | 24.7° |
| N03 | C04 | C05 | N09 | 125.9° | 90.8° |
| N03 | C04 | C05 | C06 | 116.1° | 138.0° |
| N03 | C04 | H6 | H7 | 130.8° | 131.8° |
| C04 | N03 | C39 | H21 | 117.7° | 89.7° |
| C04 | N03 | C39 | H22 | 113.3° | 138.9° |
| N03 | C39 | C05 | H21 | 115.5° | 114.4° |
| N03 | C39 | C05 | H22 | 115.5° | 114.4° |
| N03 | C39 | C05 | N09 | 127.6° | 90.7° |
| N03 | C39 | C05 | C06 | 110.1° | 138.0° |
| C39 | N03 | C04 | H6 | 113.7° | 139.0° |
| C39 | N03 | C04 | H7 | 118.1° | 89.7° |
| N03 | C39 | H21 | H22 | 131.8° | 131.8° |
| C32 | C31 | N29 | H16 | 120.3° | 120.2° |
| C32 | C31 | N29 | H17 | 120.3° | 120.2° |
| C31 | C32 | C26 | H18 | 180.0° | 179.9° |
| C32 | C31 | N29 | C30 | 178.9° | 174.7° |
| C32 | C31 | N29 | C28 | 55.6° | 51.0° |
| C31 | C32 | C26 | C25 | 179.9° | 179.7° |
| C31 | C32 | C26 | C27 | 10.7° | 0.6° |
| C32 | C31 | H16 | H17 | 119.0° | 119.6° |
| N29 | C31 | C32 | C26 | 33.4° | 17.1° |
| C31 | N29 | C30 | C28 | 127.8° | 123.3° |
| C31 | N29 | C28 | C27 | 58.3° | 69.1° |
| C31 | N29 | C28 | H4 | 178.7° | 50.6° |
| C31 | N29 | C28 | H5 | 62.1° | 171.0° |
| C31 | N29 | C30 | H13 | 180.0° | 64.1° |
| C31 | N29 | C30 | H14 | 60.0° | 176.0° |
| C31 | N29 | C30 | H15 | 60.0° | 56.0° |
| N29 | C31 | H16 | H17 | 118.9° | 119.6° |
| N29 | C31 | C32 | H18 | 146.6° | 162.9° |
| C32 | C26 | C25 | C33 | 59.7° | 90.3° |
| C32 | C26 | C25 | C27 | 169.8° | 179.8° |
| C32 | C26 | C25 | C23 | 122.2° | 89.7° |
| C32 | C26 | C27 | C28 | 13.3° | 16.8° |
| C32 | C26 | C27 | H11 | 134.2° | 136.9° |
| C32 | C26 | C27 | H12 | 107.6° | 103.4° |
| C26 | C32 | C31 | H16 | 153.7° | 137.3° |
| C26 | C32 | C31 | H17 | 86.9° | 103.2° |
| C04 | C05 | C39 | N09 | 129.9° | 114.3° |
| C04 | C05 | C39 | C06 | 107.8° | 114.4° |
| C04 | C05 | N09 | N38 | 27.1° | 14.8° |
| C04 | C05 | N09 | C06 | 117.1° | 131.6° |
| C04 | C05 | N09 | C10 | 155.4° | 165.0° |
| C04 | C05 | C06 | C07 | 174.7° | 180.0° |
| C05 | C04 | H6 | H7 | 130.8° | 131.7° |
| C04 | C05 | C06 | H8 | 53.8° | 60.0° |
| C04 | C05 | C06 | H9 | 64.4° | 59.9° |
| C04 | C05 | C39 | H21 | 117.8° | 90.7° |
| C04 | C05 | C39 | H22 | 113.2° | 138.0° |
| C39 | C05 | N09 | N38 | 144.9° | 111.5° |
| C39 | C05 | N09 | C06 | 125.0° | 131.7° |
| C39 | C05 | N09 | C10 | 37.5° | 68.3° |
| C39 | C05 | C06 | C07 | 71.7° | 83.3° |
| C39 | C05 | C04 | H6 | 113.6° | 137.9° |
| C39 | C05 | C04 | H7 | 118.2° | 90.8° |
| C39 | C05 | C06 | H8 | 49.2° | 36.7° |
| C39 | C05 | C06 | H9 | 167.4° | 156.6° |
| C05 | C39 | H21 | H22 | 131.7° | 131.6° |
| N38 | C37 | C11 | H20 | 180.0° | 180.0° |
| C37 | N38 | N09 | C05 | 177.6° | 179.7° |
| C37 | N38 | N09 | C10 | 0.4° | 0.4° |
| N38 | C37 | C11 | C10 | 2.7° | 0.0° |
| N38 | C37 | C11 | C12 | 173.9° | 180.0° |
| N09 | N38 | C37 | C11 | 1.9° | 0.2° |
| N38 | N09 | C05 | C10 | 177.6° | 179.8° |
| N38 | N09 | C05 | C06 | 90.1° | 116.8° |
| N38 | N09 | C10 | C11 | 1.3° | 0.4° |
| N38 | N09 | C10 | H1 | 178.7° | 179.8° |
| N09 | N38 | C37 | H20 | 178.1° | 179.7° |
| C37 | C11 | C10 | N09 | 2.6° | 0.3° |
| C37 | C11 | C10 | C12 | 170.2° | 180.0° |
| C37 | C11 | C12 | N36 | 9.4° | 145.0° |
| C37 | C11 | C12 | C13 | 176.4° | 35.0° |
| C37 | C11 | C10 | H1 | 177.5° | 180.0° |
| F34 | C33 | C35 | C25 | 178.8° | 179.5° |
| F34 | C33 | C35 | C21 | 179.7° | 180.0° |
| F34 | C33 | C25 | C26 | 2.3° | 0.3° |
| F34 | C33 | C25 | C23 | 179.6° | 179.7° |
| F34 | C33 | C35 | H19 | 0.3° | 0.5° |
| C05 | N09 | C10 | C11 | 179.2° | 179.7° |
| N09 | C05 | C06 | C07 | 57.5° | 48.5° |
| C05 | N09 | C10 | H1 | 0.9° | 0.0° |
| N09 | C05 | C04 | H6 | 118.1° | 23.4° |
| N09 | C05 | C04 | H7 | 10.0° | 154.7° |
| N09 | C05 | C06 | H8 | 178.5° | 168.4° |
| N09 | C05 | C06 | H9 | 63.3° | 71.6° |
| N09 | C05 | C39 | H21 | 12.0° | 154.9° |
| N09 | C05 | C39 | H22 | 116.9° | 23.7° |
| C10 | N09 | C05 | C06 | 87.5° | 63.4° |
| N09 | C10 | C11 | H1 | 180.0° | 179.8° |
| N09 | C10 | C11 | C12 | 172.8° | 179.7° |
| C05 | C06 | C07 | H8 | 120.9° | 119.9° |
| C05 | C06 | C07 | H9 | 120.9° | 120.0° |
| C05 | C06 | C07 | N08 | 15.3° | 126.5° |
| C06 | C05 | C04 | H6 | 0.2° | 107.7° |
| C06 | C05 | C04 | H7 | 128.0° | 23.6° |
| C05 | C06 | H8 | H9 | 117.2° | 120.0° |
| C06 | C05 | C39 | H21 | 134.4° | 23.6° |
| C06 | C05 | C39 | H22 | 5.4° | 107.6° |
| C10 | C11 | C12 | N36 | 159.9° | 35.0° |
| C10 | C11 | C12 | C13 | 14.3° | 145.0° |
| C10 | C11 | C37 | H20 | 177.3° | 180.0° |
| C11 | C12 | N36 | C13 | 174.4° | 180.0° |
| C11 | C12 | C13 | C17 | 6.4° | 0.4° |
| C11 | C12 | N36 | C19 | 177.0° | 179.5° |
| C11 | C12 | C13 | C14 | 175.3° | 180.0° |
| C12 | C11 | C10 | H1 | 7.2° | 0.1° |
| C12 | C11 | C37 | H20 | 6.1° | 0.0° |
| C30 | N29 | C28 | C27 | 177.0° | 167.2° |
| C30 | N29 | C28 | H4 | 56.6° | 73.0° |
| C30 | N29 | C28 | H5 | 62.6° | 47.4° |
| N29 | C30 | H13 | H14 | 120.0° | 119.9° |
| N29 | C30 | H13 | H15 | 120.0° | 120.0° |
| N29 | C30 | H14 | H15 | 120.0° | 120.1° |
| C30 | N29 | C31 | H16 | 58.5° | 65.1° |
| C30 | N29 | C31 | H17 | 60.8° | 54.4° |
| N29 | C28 | C27 | C26 | 31.6° | 49.2° |
| N29 | C28 | C27 | H4 | 120.4° | 119.7° |
| N29 | C28 | C27 | H5 | 120.4° | 119.9° |
| N29 | C28 | H4 | H5 | 118.8° | 120.5° |
| N29 | C28 | C27 | H11 | 152.5° | 169.3° |
| N29 | C28 | C27 | H12 | 89.3° | 70.9° |
| C28 | N29 | C30 | H13 | 52.2° | 59.2° |
| C28 | N29 | C30 | H14 | 172.2° | 60.7° |
| C28 | N29 | C30 | H15 | 67.9° | 179.3° |
| C28 | N29 | C31 | H16 | 175.9° | 171.3° |
| C28 | N29 | C31 | H17 | 64.8° | 69.2° |
| C33 | C35 | C21 | H19 | 180.0° | 179.5° |
| C35 | C33 | C25 | C26 | 178.9° | 179.8° |
| C35 | C33 | C25 | C23 | 0.9° | 0.2° |
| C33 | C35 | C21 | N20 | 179.9° | 179.7° |
| C33 | C35 | C21 | C22 | 0.8° | 0.5° |
| C25 | C33 | C35 | C21 | 0.9° | 0.5° |
| C33 | C25 | C26 | C23 | 178.0° | 180.0° |
| C33 | C25 | C26 | C27 | 110.1° | 89.9° |
| C33 | C25 | C23 | C22 | 0.9° | 0.1° |
| C33 | C25 | C23 | F24 | 179.2° | 180.0° |
| C25 | C33 | C35 | H19 | 179.1° | 180.0° |
| N36 | C12 | C13 | C17 | 179.7° | 179.6° |
| N36 | C12 | C13 | C14 | 1.4° | 0.0° |
| C12 | N36 | C19 | N20 | 179.7° | 179.8° |
| C12 | N36 | C19 | N18 | 3.0° | 0.7° |
| C12 | C13 | C17 | C14 | 178.4° | 179.6° |
| C12 | C13 | C17 | C16 | 178.9° | 179.7° |
| C13 | C12 | N36 | C19 | 2.6° | 0.5° |
| C12 | C13 | C14 | N15 | 179.9° | 179.8° |
| C12 | C13 | C14 | N18 | 0.4° | 0.3° |
| C12 | C13 | C17 | H2 | 1.1° | 0.4° |
| C35 | C21 | N20 | C19 | 0.5° | 33.9° |
| C35 | C21 | N20 | C22 | 179.1° | 179.8° |
| C35 | C21 | C22 | C23 | 0.8° | 0.2° |
| C35 | C21 | C22 | H3 | 179.2° | 179.8° |
| C35 | C21 | N20 | H29 | 179.5° | 146.0° |
| C13 | C17 | C16 | H2 | 180.0° | 179.9° |
| C13 | C17 | C16 | N15 | 0.4° | 0.1° |
| C17 | C13 | C14 | N15 | 1.1° | 0.1° |
| C17 | C13 | C14 | N18 | 179.3° | 180.0° |
| C13 | C17 | C16 | H10 | 179.7° | 179.9° |
| C16 | C17 | C13 | C14 | 0.4° | 0.1° |
| C17 | C16 | N15 | H10 | 180.0° | 180.0° |
| C17 | C16 | N15 | C14 | 1.0° | 0.1° |
| C17 | C16 | N15 | H28 | 178.9° | 180.0° |
| C26 | C25 | C23 | C22 | 179.0° | 179.9° |
| C26 | C25 | C23 | F24 | 1.1° | 0.0° |
| C25 | C26 | C27 | C28 | 177.4° | 163.5° |
| C25 | C26 | C27 | H11 | 56.5° | 43.4° |
| C25 | C26 | C27 | H12 | 61.7° | 76.4° |
| C25 | C26 | C32 | H18 | 0.1° | 0.4° |
| C27 | C26 | C25 | C23 | 68.0° | 90.1° |
| C26 | C27 | C28 | H11 | 120.9° | 120.1° |
| C26 | C27 | C28 | H12 | 120.9° | 120.1° |
| C26 | C27 | C28 | H4 | 152.0° | 70.5° |
| C26 | C27 | C28 | H5 | 88.8° | 169.1° |
| C26 | C27 | H11 | H12 | 117.1° | 119.8° |
| C27 | C26 | C32 | H18 | 169.3° | 179.4° |
| N36 | C19 | N20 | N18 | 177.6° | 179.5° |
| N36 | C19 | N20 | C21 | 4.5° | 174.9° |
| N36 | C19 | N18 | C14 | 2.0° | 0.4° |
| N36 | C19 | N20 | H29 | 175.5° | 5.0° |
| C13 | C14 | N15 | C16 | 1.3° | 0.0° |
| C13 | C14 | N18 | C19 | 0.7° | 0.1° |
| C13 | C14 | N15 | N18 | 179.6° | 179.9° |
| C14 | C13 | C17 | H2 | 179.6° | 180.0° |
| C13 | C14 | N15 | H28 | 178.7° | 179.9° |
| C25 | C23 | C22 | C21 | 0.9° | 0.1° |
| C25 | C23 | C22 | F24 | 179.9° | 179.9° |
| C25 | C23 | C22 | H3 | 179.1° | 180.0° |
| C16 | N15 | C14 | H28 | 180.0° | 179.9° |
| C16 | N15 | C14 | N18 | 179.1° | 179.9° |
| N15 | C16 | C17 | H2 | 179.6° | 180.0° |
| C19 | N20 | C21 | H29 | 180.0° | 179.9° |
| C19 | N20 | C21 | C22 | 179.6° | 146.3° |
| N20 | C19 | N18 | C14 | 179.5° | 179.9° |
| N18 | C19 | N20 | C21 | 177.9° | 5.6° |
| C19 | N18 | C14 | N15 | 179.7° | 180.0° |
| N18 | C19 | N20 | H29 | 2.1° | 174.5° |
| N20 | C21 | C22 | C23 | 180.0° | 180.0° |
| N20 | C21 | C22 | H3 | 0.0° | 0.0° |
| N20 | C21 | C35 | H19 | 0.1° | 0.2° |
| C21 | C22 | C23 | H3 | 180.0° | 179.9° |
| C21 | C22 | C23 | F24 | 179.2° | 180.0° |
| C22 | C21 | C35 | H19 | 179.2° | 180.0° |
| C22 | C21 | N20 | H29 | 0.3° | 33.8° |
| C14 | N15 | C16 | H10 | 179.0° | 180.0° |
| N18 | C14 | N15 | H28 | 1.0° | 0.0° |
| F24 | C23 | C22 | H3 | 0.8° | 0.1° |
| C07 | C06 | H8 | H9 | 117.2° | 120.1° |
| C27 | C28 | H4 | H5 | 118.8° | 120.4° |
| C28 | C27 | H11 | H12 | 117.1° | 119.9° |
| N08 | C07 | C06 | H8 | 105.6° | 6.5° |
| N08 | C07 | C06 | H9 | 136.2° | 113.5° |
| H2 | C17 | C16 | H10 | 0.3° | 0.1° |
| H4 | C28 | C27 | H11 | 87.1° | 49.6° |
| H4 | C28 | C27 | H12 | 31.1° | 169.4° |
| H5 | C28 | C27 | H11 | 32.1° | 70.8° |
| H5 | C28 | C27 | H12 | 150.3° | 49.0° |
| H10 | C16 | N15 | H28 | 1.1° | 0.0° |
| H13 | C30 | H14 | H15 | 120.0° | 120.1° |
| H16 | C31 | C32 | H18 | 26.3° | 42.7° |
| H17 | C31 | C32 | H18 | 93.1° | 76.9° |
| H23 | C40 | C41 | H25 | 60.3° | 60.0° |
| H23 | C40 | C41 | H26 | 179.7° | 180.0° |
| H23 | C40 | C41 | H27 | 59.8° | 60.0° |
| H24 | C40 | C41 | H25 | 60.2° | 180.0° |
| H24 | C40 | C41 | H26 | 59.8° | 60.0° |
| H24 | C40 | C41 | H27 | 179.8° | 60.0° |
| H25 | C41 | H26 | H27 | 120.0° | 120.0° |
