A1L6I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | C26 | sing | 1.53Å | 1.53Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | N22 | sing | 1.47Å | 1.43Å | |
| C24 | N25 | sing | 1.47Å | 1.40Å | |
| O21 | C20 | doub | 1.22Å | 1.19Å | |
| C26 | N25 | sing | 1.47Å | 1.27Å | |
| C26 | C28 | sing | 1.53Å | 1.54Å | |
| N25 | C29 | sing | 1.47Å | 1.40Å | |
| N22 | C20 | sing | 1.35Å | 1.49Å | |
| N22 | C30 | sing | 1.47Å | 1.42Å | |
| C20 | C19 | sing | 1.48Å | 1.57Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C31 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.37Å | 1.40Å | Aromatic |
| C31 | N32 | doub | 1.32Å | 1.33Å | Aromatic |
| C05 | C04 | sing | 1.53Å | 1.53Å | |
| C04 | N03 | sing | 1.47Å | 1.45Å | |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| N32 | C16 | sing | 1.33Å | 1.32Å | Aromatic |
| C16 | N15 | sing | 1.39Å | 1.47Å | |
| N03 | C06 | sing | 1.38Å | 1.46Å | |
| N03 | C02 | sing | 1.46Å | 1.45Å | |
| S39 | C06 | sing | 1.76Å | 1.71Å | Aromatic |
| S39 | C38 | sing | 1.76Å | 1.72Å | Aromatic |
| C06 | N07 | doub | 1.29Å | 1.33Å | Aromatic |
| C38 | C37 | doub | 1.39Å | 1.41Å | Aromatic |
| C38 | C08 | sing | 1.40Å | 1.39Å | Aromatic |
| N07 | C08 | sing | 1.35Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.53Å | 1.53Å | |
| N15 | C14 | sing | 1.39Å | 1.47Å | |
| C37 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C08 | C09 | doub | 1.41Å | 1.42Å | Aromatic |
| N13 | C14 | doub | 1.32Å | 1.33Å | Aromatic |
| N13 | C12 | sing | 1.33Å | 1.33Å | Aromatic |
| C14 | N33 | sing | 1.32Å | 1.32Å | Aromatic |
| C11 | C12 | sing | 1.48Å | 1.55Å | |
| C11 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C09 | C10 | sing | 1.36Å | 1.39Å | Aromatic |
| C12 | C35 | doub | 1.40Å | 1.40Å | Aromatic |
| N33 | C34 | doub | 1.32Å | 1.32Å | Aromatic |
| C35 | C34 | sing | 1.39Å | 1.39Å | Aromatic |
| C35 | F36 | sing | 1.35Å | 1.37Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| N15 | H2 | sing | 0.97Å | 1.00Å | |
| C17 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C27 | H7 | sing | 1.09Å | 1.10Å | |
| C27 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.09Å | 1.10Å | |
| C28 | H10 | sing | 1.09Å | 1.10Å | |
| C28 | H11 | sing | 1.09Å | 1.10Å | |
| C28 | H12 | sing | 1.09Å | 1.10Å | |
| C29 | H13 | sing | 1.09Å | 1.10Å | |
| C29 | H14 | sing | 1.09Å | 1.10Å | |
| C30 | H15 | sing | 1.09Å | 1.10Å | |
| C30 | H16 | sing | 1.09Å | 1.10Å | |
| C31 | H17 | sing | 1.08Å | 1.08Å | |
| C34 | H18 | sing | 1.08Å | 1.08Å | |
| C01 | H19 | sing | 1.09Å | 1.10Å | |
| C01 | H20 | sing | 1.09Å | 1.10Å | |
| C01 | H21 | sing | 1.09Å | 1.10Å | |
| C02 | H22 | sing | 1.09Å | 1.10Å | |
| C02 | H23 | sing | 1.09Å | 1.10Å | |
| C04 | H24 | sing | 1.09Å | 1.10Å | |
| C04 | H25 | sing | 1.09Å | 1.10Å | |
| C05 | H26 | sing | 1.09Å | 1.10Å | |
| C05 | H27 | sing | 1.09Å | 1.10Å | |
| C05 | H28 | sing | 1.09Å | 1.10Å | |
| C09 | H29 | sing | 1.08Å | 1.08Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C27 | C26 | N25 | 112.3° | 109.4° |
| C27 | C26 | C28 | 110.1° | 109.5° |
| C26 | C27 | H7 | 109.5° | 109.5° |
| C26 | C27 | H8 | 109.5° | 109.5° |
| C26 | C27 | H9 | 109.4° | 109.5° |
| C27 | C26 | H32 | 106.5° | 109.4° |
| C24 | C23 | N22 | 113.6° | 108.5° |
| C23 | C24 | N25 | 113.6° | 109.3° |
| C23 | C24 | H5 | 108.4° | 109.5° |
| C23 | C24 | H6 | 108.4° | 109.5° |
| C24 | C23 | H30 | 108.5° | 109.6° |
| C24 | C23 | H31 | 108.4° | 109.6° |
| C23 | N22 | C20 | 123.7° | 120.8° |
| C23 | N22 | C30 | 110.4° | 118.3° |
| N22 | C23 | H30 | 108.4° | 109.6° |
| N22 | C23 | H31 | 108.4° | 109.6° |
| C24 | N25 | C26 | 112.2° | 111.0° |
| C24 | N25 | C29 | 111.6° | 111.3° |
| N25 | C24 | H5 | 108.4° | 109.4° |
| N25 | C24 | H6 | 108.4° | 109.5° |
| O21 | C20 | N22 | 119.2° | 120.0° |
| O21 | C20 | C19 | 119.0° | 120.0° |
| N25 | C26 | C28 | 111.1° | 109.4° |
| C26 | N25 | C29 | 111.7° | 111.0° |
| N25 | C26 | H32 | 110.1° | 109.5° |
| C26 | C28 | H10 | 109.5° | 109.5° |
| C26 | C28 | H11 | 109.5° | 109.5° |
| C26 | C28 | H12 | 109.5° | 109.4° |
| C28 | C26 | H32 | 106.5° | 109.5° |
| N25 | C29 | C30 | 112.5° | 109.3° |
| N25 | C29 | H13 | 108.7° | 109.4° |
| N25 | C29 | H14 | 108.7° | 109.5° |
| C20 | N22 | C30 | 126.0° | 120.9° |
| N22 | C20 | C19 | 121.8° | 120.0° |
| N22 | C30 | C29 | 112.6° | 108.5° |
| N22 | C30 | H15 | 108.7° | 109.7° |
| N22 | C30 | H16 | 108.7° | 109.8° |
| C20 | C19 | C18 | 120.2° | 120.4° |
| C20 | C19 | C31 | 121.1° | 120.5° |
| C30 | C29 | H13 | 108.7° | 109.5° |
| C30 | C29 | H14 | 108.7° | 109.5° |
| C29 | C30 | H15 | 108.7° | 109.6° |
| C29 | C30 | H16 | 108.7° | 109.6° |
| C18 | C19 | C31 | 118.7° | 119.1° |
| C19 | C18 | C17 | 118.7° | 118.5° |
| C19 | C18 | H4 | 120.7° | 120.8° |
| C19 | C31 | N32 | 121.1° | 120.5° |
| C19 | C31 | H17 | 119.4° | 119.7° |
| C18 | C17 | C16 | 119.3° | 119.4° |
| C18 | C17 | H3 | 120.4° | 120.3° |
| C17 | C18 | H4 | 120.6° | 120.7° |
| C31 | N32 | C16 | 121.3° | 121.6° |
| N32 | C31 | H17 | 119.4° | 119.8° |
| C05 | C04 | N03 | 109.7° | 109.5° |
| C05 | C04 | H24 | 109.4° | 109.5° |
| C05 | C04 | H25 | 109.4° | 109.4° |
| C04 | C05 | H26 | 109.5° | 109.5° |
| C04 | C05 | H27 | 109.5° | 109.5° |
| C04 | C05 | H28 | 109.5° | 109.5° |
| C04 | N03 | C06 | 120.1° | 120.0° |
| C04 | N03 | C02 | 120.0° | 120.0° |
| N03 | C04 | H24 | 109.4° | 109.5° |
| N03 | C04 | H25 | 109.4° | 109.5° |
| C17 | C16 | N32 | 120.9° | 120.9° |
| C17 | C16 | N15 | 117.4° | 119.5° |
| C16 | C17 | H3 | 120.4° | 120.3° |
| N32 | C16 | N15 | 121.7° | 119.5° |
| C16 | N15 | C14 | 125.7° | 120.0° |
| C16 | N15 | H2 | 117.2° | 120.0° |
| C06 | N03 | C02 | 119.8° | 120.0° |
| N03 | C06 | S39 | 127.7° | 124.8° |
| N03 | C06 | N07 | 124.6° | 124.8° |
| N03 | C02 | C01 | 110.3° | 109.5° |
| N03 | C02 | H22 | 109.3° | 109.5° |
| N03 | C02 | H23 | 109.2° | 109.4° |
| C06 | S39 | C38 | 96.6° | 90.4° |
| S39 | C06 | N07 | 107.7° | 110.4° |
| S39 | C38 | C37 | 135.4° | 131.1° |
| S39 | C38 | C08 | 105.0° | 108.5° |
| C06 | N07 | C08 | 115.8° | 117.9° |
| C37 | C38 | C08 | 119.6° | 120.5° |
| C38 | C37 | C11 | 119.9° | 119.9° |
| C38 | C37 | H33 | 120.1° | 120.0° |
| C38 | C08 | N07 | 114.9° | 112.8° |
| C38 | C08 | C09 | 120.6° | 118.6° |
| N07 | C08 | C09 | 124.4° | 128.6° |
| C02 | C01 | H19 | 109.5° | 109.5° |
| C02 | C01 | H20 | 109.5° | 109.5° |
| C02 | C01 | H21 | 109.5° | 109.5° |
| C01 | C02 | H22 | 109.3° | 109.5° |
| C01 | C02 | H23 | 109.3° | 109.5° |
| N15 | C14 | N13 | 122.0° | 119.1° |
| N15 | C14 | N33 | 116.5° | 119.1° |
| C14 | N15 | H2 | 117.1° | 120.0° |
| C37 | C11 | C12 | 120.2° | 120.1° |
| C37 | C11 | C10 | 119.7° | 119.7° |
| C11 | C37 | H33 | 120.1° | 120.1° |
| C08 | C09 | C10 | 119.4° | 120.7° |
| C08 | C09 | H29 | 120.3° | 119.6° |
| C14 | N13 | C12 | 121.4° | 120.6° |
| N13 | C14 | N33 | 121.5° | 121.8° |
| N13 | C12 | C11 | 119.4° | 120.6° |
| N13 | C12 | C35 | 118.4° | 118.9° |
| C14 | N33 | C34 | 120.6° | 121.0° |
| C12 | C11 | C10 | 120.1° | 120.2° |
| C11 | C12 | C35 | 122.2° | 120.5° |
| C11 | C10 | C09 | 120.8° | 120.6° |
| C11 | C10 | H1 | 119.6° | 119.7° |
| C09 | C10 | H1 | 119.6° | 119.7° |
| C10 | C09 | H29 | 120.3° | 119.6° |
| C12 | C35 | C34 | 117.8° | 118.4° |
| C12 | C35 | F36 | 124.0° | 120.8° |
| N33 | C34 | C35 | 120.3° | 119.3° |
| N33 | C34 | H18 | 119.8° | 120.4° |
| C34 | C35 | F36 | 118.2° | 120.8° |
| C35 | C34 | H18 | 119.8° | 120.3° |
| H5 | C24 | H6 | 109.5° | 109.5° |
| H7 | C27 | H8 | 109.4° | 109.5° |
| H7 | C27 | H9 | 109.5° | 109.4° |
| H8 | C27 | H9 | 109.5° | 109.4° |
| H10 | C28 | H11 | 109.5° | 109.5° |
| H10 | C28 | H12 | 109.4° | 109.4° |
| H11 | C28 | H12 | 109.5° | 109.5° |
| H13 | C29 | H14 | 109.5° | 109.5° |
| H15 | C30 | H16 | 109.5° | 109.6° |
| H19 | C01 | H20 | 109.5° | 109.5° |
| H19 | C01 | H21 | 109.5° | 109.5° |
| H20 | C01 | H21 | 109.5° | 109.4° |
| H22 | C02 | H23 | 109.5° | 109.5° |
| H24 | C04 | H25 | 109.5° | 109.5° |
| H26 | C05 | H27 | 109.4° | 109.4° |
| H26 | C05 | H28 | 109.5° | 109.5° |
| H27 | C05 | H28 | 109.5° | 109.5° |
| H30 | C23 | H31 | 109.5° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C27 | C26 | N25 | C24 | 51.6° | 174.9° |
| C27 | C26 | N25 | C28 | 123.8° | 120.0° |
| C27 | C26 | N25 | H32 | 118.5° | 120.0° |
| C27 | C26 | C28 | H32 | 115.1° | 120.0° |
| C27 | C26 | N25 | C29 | 177.8° | 60.7° |
| C26 | C27 | H7 | H8 | 120.0° | 120.1° |
| C26 | C27 | H7 | H9 | 120.0° | 120.0° |
| C26 | C27 | H8 | H9 | 120.0° | 120.0° |
| C27 | C26 | C28 | H10 | 180.0° | 59.9° |
| C27 | C26 | C28 | H11 | 60.0° | 180.0° |
| C27 | C26 | C28 | H12 | 60.0° | 60.0° |
| C24 | C23 | N22 | H30 | 120.6° | 119.7° |
| C24 | C23 | N22 | H31 | 120.6° | 119.7° |
| C23 | C24 | N25 | H5 | 120.6° | 119.9° |
| C23 | C24 | N25 | H6 | 120.6° | 120.0° |
| C23 | C24 | N25 | C26 | 75.5° | 172.7° |
| C23 | C24 | N25 | C29 | 50.7° | 63.1° |
| C24 | C23 | N22 | C20 | 130.3° | 128.8° |
| C24 | C23 | N22 | C30 | 50.2° | 51.1° |
| C23 | C24 | H5 | H6 | 118.1° | 120.1° |
| C24 | C23 | H30 | H31 | 118.1° | 120.5° |
| N22 | C23 | C24 | N25 | 50.2° | 53.8° |
| C23 | N22 | C20 | O21 | 0.1° | 174.5° |
| C23 | N22 | C20 | C30 | 179.5° | 179.9° |
| C23 | N22 | C20 | C19 | 179.3° | 5.5° |
| C23 | N22 | C30 | C29 | 52.5° | 51.1° |
| N22 | C23 | C24 | H5 | 170.8° | 66.1° |
| N22 | C23 | C24 | H6 | 70.4° | 173.8° |
| C23 | N22 | C30 | H15 | 173.0° | 170.9° |
| C23 | N22 | C30 | H16 | 68.0° | 68.7° |
| N22 | C23 | H30 | H31 | 118.1° | 120.5° |
| C24 | N25 | C26 | C29 | 126.2° | 124.3° |
| C24 | N25 | C26 | C28 | 175.4° | 65.1° |
| C24 | N25 | C29 | C30 | 53.0° | 63.1° |
| N25 | C24 | H5 | H6 | 118.1° | 120.0° |
| C24 | N25 | C29 | H13 | 173.5° | 177.0° |
| C24 | N25 | C29 | H14 | 67.4° | 56.9° |
| N25 | C24 | C23 | H30 | 170.8° | 65.9° |
| N25 | C24 | C23 | H31 | 70.4° | 173.5° |
| C24 | N25 | C26 | H32 | 66.9° | 55.0° |
| O21 | C20 | N22 | C19 | 179.4° | 180.0° |
| O21 | C20 | N22 | C30 | 179.7° | 5.4° |
| O21 | C20 | C19 | C18 | 124.5° | 147.7° |
| O21 | C20 | C19 | C31 | 54.1° | 32.3° |
| N25 | C26 | C28 | H32 | 119.9° | 120.0° |
| C26 | N25 | C29 | C30 | 73.5° | 172.8° |
| C26 | N25 | C24 | H5 | 45.1° | 67.3° |
| C26 | N25 | C24 | H6 | 163.9° | 52.7° |
| N25 | C26 | C27 | H7 | 180.0° | 179.9° |
| N25 | C26 | C27 | H8 | 60.0° | 60.0° |
| N25 | C26 | C27 | H9 | 60.0° | 60.0° |
| N25 | C26 | C28 | H10 | 55.0° | 60.0° |
| N25 | C26 | C28 | H11 | 175.0° | 60.1° |
| N25 | C26 | C28 | H12 | 65.0° | 180.0° |
| C26 | N25 | C29 | H13 | 47.0° | 52.8° |
| C26 | N25 | C29 | H14 | 166.1° | 67.3° |
| C28 | C26 | N25 | C29 | 58.4° | 59.3° |
| C28 | C26 | C27 | H7 | 55.7° | 60.0° |
| C28 | C26 | C27 | H8 | 175.7° | 180.0° |
| C28 | C26 | C27 | H9 | 64.3° | 60.0° |
| C26 | C28 | H10 | H11 | 120.0° | 120.0° |
| C26 | C28 | H10 | H12 | 120.0° | 119.9° |
| C26 | C28 | H11 | H12 | 120.0° | 119.9° |
| N25 | C29 | C30 | N22 | 55.2° | 53.8° |
| N25 | C29 | C30 | H13 | 120.5° | 119.9° |
| N25 | C29 | C30 | H14 | 120.5° | 120.0° |
| C29 | N25 | C24 | H5 | 171.3° | 56.8° |
| C29 | N25 | C24 | H6 | 69.9° | 176.9° |
| N25 | C29 | H13 | H14 | 118.7° | 120.1° |
| N25 | C29 | C30 | H15 | 175.7° | 173.5° |
| N25 | C29 | C30 | H16 | 65.3° | 66.1° |
| C29 | N25 | C26 | H32 | 59.3° | 179.3° |
| C20 | N22 | C30 | C29 | 127.9° | 128.8° |
| N22 | C20 | C19 | C18 | 54.9° | 32.3° |
| N22 | C20 | C19 | C31 | 126.4° | 147.7° |
| C20 | N22 | C30 | H15 | 7.4° | 9.0° |
| C20 | N22 | C30 | H16 | 111.6° | 111.4° |
| C20 | N22 | C23 | H30 | 9.6° | 111.5° |
| C20 | N22 | C23 | H31 | 109.1° | 9.1° |
| C30 | N22 | C20 | C19 | 0.2° | 174.6° |
| N22 | C30 | C29 | H15 | 120.5° | 119.7° |
| N22 | C30 | C29 | H16 | 120.5° | 119.9° |
| N22 | C30 | C29 | H13 | 175.7° | 173.7° |
| N22 | C30 | C29 | H14 | 65.3° | 66.2° |
| N22 | C30 | H15 | H16 | 118.6° | 120.6° |
| C30 | N22 | C23 | H30 | 170.8° | 68.6° |
| C30 | N22 | C23 | H31 | 70.5° | 170.8° |
| C20 | C19 | C18 | C31 | 178.6° | 180.0° |
| C20 | C19 | C18 | C17 | 179.5° | 180.0° |
| C20 | C19 | C31 | N32 | 179.4° | 179.9° |
| C20 | C19 | C18 | H4 | 0.5° | 0.1° |
| C20 | C19 | C31 | H17 | 0.7° | 0.0° |
| C30 | C29 | H13 | H14 | 118.6° | 120.1° |
| C29 | C30 | H15 | H16 | 118.6° | 120.4° |
| C19 | C18 | C17 | H4 | 180.0° | 179.9° |
| C18 | C19 | C31 | N32 | 0.7° | 0.0° |
| C19 | C18 | C17 | C16 | 0.7° | 0.1° |
| C19 | C18 | C17 | H3 | 179.3° | 179.7° |
| C18 | C19 | C31 | H17 | 179.3° | 180.0° |
| C31 | C19 | C18 | C17 | 0.9° | 0.0° |
| C19 | C31 | N32 | H17 | 180.0° | 180.0° |
| C19 | C31 | N32 | C16 | 0.4° | 0.0° |
| C31 | C19 | C18 | H4 | 179.2° | 179.9° |
| C18 | C17 | C16 | H3 | 180.0° | 179.7° |
| C18 | C17 | C16 | N32 | 0.3° | 0.0° |
| C18 | C17 | C16 | N15 | 179.6° | 179.7° |
| C31 | N32 | C16 | C17 | 0.2° | 0.0° |
| C31 | N32 | C16 | N15 | 179.4° | 179.8° |
| C05 | C04 | N03 | H24 | 120.0° | 120.0° |
| C05 | C04 | N03 | H25 | 120.1° | 120.0° |
| C05 | C04 | N03 | C06 | 125.7° | 90.0° |
| C05 | C04 | N03 | C02 | 55.0° | 90.0° |
| C05 | C04 | H24 | H25 | 119.9° | 119.9° |
| C04 | C05 | H26 | H27 | 120.0° | 120.0° |
| C04 | C05 | H26 | H28 | 120.0° | 120.0° |
| C04 | C05 | H27 | H28 | 120.0° | 120.0° |
| C04 | N03 | C06 | C02 | 179.3° | 180.0° |
| C04 | N03 | C06 | S39 | 57.0° | 179.6° |
| C04 | N03 | C06 | N07 | 122.8° | 0.0° |
| C04 | N03 | C02 | C01 | 107.9° | 90.0° |
| C04 | N03 | C02 | H22 | 132.0° | 30.0° |
| C04 | N03 | C02 | H23 | 12.2° | 150.0° |
| N03 | C04 | H24 | H25 | 119.9° | 120.1° |
| N03 | C04 | C05 | H26 | 180.0° | 180.0° |
| N03 | C04 | C05 | H27 | 60.0° | 60.0° |
| N03 | C04 | C05 | H28 | 60.0° | 60.0° |
| C17 | C16 | N32 | N15 | 179.2° | 179.8° |
| C17 | C16 | N15 | C14 | 159.1° | 174.7° |
| C17 | C16 | N15 | H2 | 20.9° | 5.3° |
| C16 | C17 | C18 | H4 | 179.4° | 180.0° |
| N32 | C16 | N15 | C14 | 21.6° | 5.1° |
| N32 | C16 | N15 | H2 | 158.4° | 174.9° |
| N32 | C16 | C17 | H3 | 179.7° | 179.7° |
| C16 | N32 | C31 | H17 | 179.6° | 180.0° |
| C16 | N15 | C14 | H2 | 180.0° | 180.0° |
| C16 | N15 | C14 | N13 | 34.1° | 174.4° |
| C16 | N15 | C14 | N33 | 146.9° | 5.3° |
| N15 | C16 | C17 | H3 | 0.4° | 0.1° |
| N03 | C06 | S39 | N07 | 179.9° | 179.7° |
| N03 | C06 | S39 | C38 | 179.9° | 179.7° |
| N03 | C06 | N07 | C08 | 180.0° | 180.0° |
| C06 | N03 | C02 | C01 | 71.4° | 90.0° |
| C06 | N03 | C02 | H22 | 48.7° | 150.0° |
| C06 | N03 | C02 | H23 | 168.4° | 30.0° |
| C06 | N03 | C04 | H24 | 114.3° | 30.0° |
| C06 | N03 | C04 | H25 | 5.6° | 150.0° |
| C02 | N03 | C06 | S39 | 123.7° | 0.4° |
| C02 | N03 | C06 | N07 | 56.5° | 180.0° |
| N03 | C02 | C01 | H22 | 120.1° | 120.0° |
| N03 | C02 | C01 | H23 | 120.1° | 119.9° |
| N03 | C02 | C01 | H19 | 180.0° | 60.1° |
| N03 | C02 | C01 | H20 | 60.0° | 60.0° |
| N03 | C02 | C01 | H21 | 60.0° | 179.9° |
| N03 | C02 | H22 | H23 | 119.6° | 119.9° |
| C02 | N03 | C04 | H24 | 65.0° | 150.0° |
| C02 | N03 | C04 | H25 | 175.1° | 30.0° |
| C06 | S39 | C38 | C37 | 180.0° | 180.0° |
| C06 | S39 | C38 | C08 | 0.2° | 0.3° |
| S39 | C06 | N07 | C08 | 0.1° | 0.4° |
| C38 | S39 | C06 | N07 | 0.0° | 0.0° |
| S39 | C38 | C37 | C08 | 179.8° | 179.7° |
| S39 | C38 | C08 | N07 | 0.2° | 0.5° |
| S39 | C38 | C37 | C11 | 179.6° | 180.0° |
| S39 | C38 | C08 | C09 | 179.9° | 179.9° |
| S39 | C38 | C37 | H33 | 0.4° | 0.0° |
| C06 | N07 | C08 | C38 | 0.2° | 0.6° |
| C06 | N07 | C08 | C09 | 179.9° | 179.9° |
| C37 | C38 | C08 | N07 | 179.9° | 179.7° |
| C38 | C37 | C11 | H33 | 180.0° | 180.0° |
| C37 | C38 | C08 | C09 | 0.1° | 0.3° |
| C38 | C37 | C11 | C12 | 179.7° | 180.0° |
| C38 | C37 | C11 | C10 | 0.7° | 0.0° |
| C38 | C08 | N07 | C09 | 179.8° | 179.3° |
| C08 | C38 | C37 | C11 | 0.2° | 0.3° |
| C38 | C08 | C09 | C10 | 0.1° | 0.1° |
| C38 | C08 | C09 | H29 | 179.9° | 179.9° |
| C08 | C38 | C37 | H33 | 179.8° | 179.7° |
| N07 | C08 | C09 | C10 | 179.7° | 179.3° |
| N07 | C08 | C09 | H29 | 0.3° | 0.7° |
| C02 | C01 | H19 | H20 | 120.0° | 120.1° |
| C02 | C01 | H19 | H21 | 120.0° | 120.0° |
| C02 | C01 | H20 | H21 | 120.0° | 120.0° |
| C01 | C02 | H22 | H23 | 119.7° | 120.0° |
| N15 | C14 | N13 | N33 | 179.0° | 179.7° |
| N15 | C14 | N13 | C12 | 179.4° | 179.7° |
| N15 | C14 | N33 | C34 | 179.8° | 180.0° |
| C37 | C11 | C12 | N13 | 14.6° | 35.2° |
| C37 | C11 | C12 | C10 | 179.0° | 180.0° |
| C37 | C11 | C10 | C09 | 0.8° | 0.3° |
| C37 | C11 | C12 | C35 | 166.1° | 145.1° |
| C37 | C11 | C10 | H1 | 179.1° | 180.0° |
| C08 | C09 | C10 | C11 | 0.6° | 0.3° |
| C08 | C09 | C10 | H29 | 180.0° | 180.0° |
| C08 | C09 | C10 | H1 | 179.4° | 180.0° |
| C14 | N13 | C12 | C11 | 179.4° | 180.0° |
| C14 | N13 | C12 | C35 | 0.1° | 0.3° |
| N13 | C14 | N33 | C34 | 0.7° | 0.4° |
| N13 | C14 | N15 | H2 | 145.9° | 5.6° |
| C12 | N13 | C14 | N33 | 0.4° | 0.1° |
| N13 | C12 | C11 | C35 | 179.3° | 179.7° |
| N13 | C12 | C11 | C10 | 164.4° | 144.7° |
| N13 | C12 | C35 | C34 | 0.2° | 0.3° |
| N13 | C12 | C35 | F36 | 179.9° | 179.7° |
| C14 | N33 | C34 | C35 | 0.5° | 0.3° |
| N33 | C14 | N15 | H2 | 33.1° | 174.7° |
| C14 | N33 | C34 | H18 | 179.5° | 179.7° |
| C12 | C11 | C10 | C09 | 179.9° | 179.7° |
| C11 | C12 | C35 | C34 | 179.5° | 180.0° |
| C11 | C12 | C35 | F36 | 0.6° | 0.0° |
| C12 | C11 | C10 | H1 | 0.1° | 0.0° |
| C12 | C11 | C37 | H33 | 0.3° | 0.1° |
| C11 | C10 | C09 | H1 | 180.0° | 179.7° |
| C10 | C11 | C12 | C35 | 14.9° | 35.0° |
| C11 | C10 | C09 | H29 | 179.4° | 179.7° |
| C10 | C11 | C37 | H33 | 179.4° | 180.0° |
| C12 | C35 | C34 | N33 | 0.1° | 0.0° |
| C12 | C35 | C34 | F36 | 179.9° | 180.0° |
| C12 | C35 | C34 | H18 | 179.9° | 180.0° |
| N33 | C34 | C35 | H18 | 180.0° | 180.0° |
| N33 | C34 | C35 | F36 | 179.8° | 180.0° |
| F36 | C35 | C34 | H18 | 0.2° | 0.0° |
| H1 | C10 | C09 | H29 | 0.6° | 0.0° |
| H3 | C17 | C18 | H4 | 0.7° | 0.3° |
| H5 | C24 | C23 | H30 | 68.6° | 174.2° |
| H5 | C24 | C23 | H31 | 50.2° | 53.6° |
| H6 | C24 | C23 | H30 | 50.2° | 54.1° |
| H6 | C24 | C23 | H31 | 169.0° | 66.5° |
| H7 | C27 | H8 | H9 | 120.0° | 119.9° |
| H7 | C27 | C26 | H32 | 59.3° | 60.1° |
| H8 | C27 | C26 | H32 | 60.6° | 60.0° |
| H9 | C27 | C26 | H32 | 179.4° | 180.0° |
| H10 | C28 | H11 | H12 | 120.0° | 120.0° |
| H10 | C28 | C26 | H32 | 64.9° | 179.9° |
| H11 | C28 | C26 | H32 | 55.1° | 60.0° |
| H12 | C28 | C26 | H32 | 175.1° | 60.0° |
| H13 | C29 | C30 | H15 | 63.9° | 66.5° |
| H13 | C29 | C30 | H16 | 55.2° | 53.8° |
| H14 | C29 | C30 | H15 | 55.2° | 53.5° |
| H14 | C29 | C30 | H16 | 174.3° | 173.9° |
| H19 | C01 | H20 | H21 | 120.0° | 120.0° |
| H19 | C01 | C02 | H22 | 59.9° | 60.0° |
| H19 | C01 | C02 | H23 | 59.9° | 180.0° |
| H20 | C01 | C02 | H22 | 179.9° | 180.0° |
| H20 | C01 | C02 | H23 | 60.1° | 59.9° |
| H21 | C01 | C02 | H22 | 60.1° | 60.0° |
| H21 | C01 | C02 | H23 | 179.9° | 60.0° |
| H24 | C04 | C05 | H26 | 60.0° | 60.0° |
| H24 | C04 | C05 | H27 | 60.0° | 60.0° |
| H24 | C04 | C05 | H28 | 180.0° | 180.0° |
| H25 | C04 | C05 | H26 | 60.0° | 60.0° |
| H25 | C04 | C05 | H27 | 179.9° | 179.9° |
| H25 | C04 | C05 | H28 | 60.1° | 60.0° |
| H26 | C05 | H27 | H28 | 120.0° | 120.0° |
