9XL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O33 | C32 | doub | 1.21Å | 1.26Å | |
| C32 | O34 | sing | 1.34Å | 1.24Å | |
| C32 | C30 | sing | 1.51Å | 1.51Å | |
| N31 | C30 | sing | 1.47Å | 1.42Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C29 | C28 | sing | 1.53Å | 1.49Å | |
| C28 | N15 | sing | 1.47Å | 1.49Å | |
| O36 | C35 | sing | 1.43Å | 1.44Å | |
| C16 | N15 | sing | 1.47Å | 1.48Å | |
| C16 | C17 | sing | 1.47Å | 1.56Å | |
| N15 | C14 | sing | 1.47Å | 1.52Å | |
| C35 | C13 | sing | 1.54Å | 1.60Å | |
| C35 | C37 | sing | 1.54Å | 1.31Å | |
| C17 | C18 | trip | 1.17Å | 1.16Å | |
| O38 | C37 | sing | 1.43Å | 1.42Å | |
| C13 | C14 | sing | 1.53Å | 1.44Å | |
| C13 | C12 | sing | 1.54Å | 1.55Å | |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.37Å | Aromatic |
| C18 | C19 | sing | 1.43Å | 1.57Å | |
| C21 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | C11 | sing | 1.55Å | 1.64Å | |
| C19 | C27 | doub | 1.39Å | 1.36Å | Aromatic |
| C11 | C12 | sing | 1.55Å | 1.33Å | |
| C11 | N10 | sing | 1.47Å | 1.48Å | |
| C22 | C23 | doub | 1.40Å | 1.36Å | Aromatic |
| N05 | C04 | doub | 1.31Å | 1.34Å | Aromatic |
| N05 | C06 | sing | 1.33Å | 1.34Å | Aromatic |
| C27 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| N10 | C06 | sing | 1.37Å | 1.34Å | Aromatic |
| N10 | C09 | sing | 1.37Å | 1.33Å | Aromatic |
| C04 | N03 | sing | 1.32Å | 1.31Å | Aromatic |
| C06 | C07 | doub | 1.41Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.48Å | 1.52Å | |
| C09 | C08 | doub | 1.34Å | 1.40Å | Aromatic |
| N03 | C02 | doub | 1.32Å | 1.33Å | Aromatic |
| C07 | C08 | sing | 1.46Å | 1.42Å | Aromatic |
| C07 | C02 | sing | 1.40Å | 1.42Å | Aromatic |
| C24 | N25 | sing | 1.35Å | 1.45Å | |
| C24 | O26 | doub | 1.22Å | 1.17Å | |
| C02 | CL1 | sing | 1.74Å | 1.81Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C20 | H2 | sing | 1.08Å | 1.08Å | |
| C21 | H3 | sing | 1.08Å | 1.08Å | |
| C22 | H4 | sing | 1.08Å | 1.08Å | |
| C28 | H5 | sing | 1.09Å | 1.10Å | |
| C28 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C08 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C16 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å | |
| C29 | H19 | sing | 1.09Å | 1.10Å | |
| C30 | H20 | sing | 1.09Å | 1.10Å | |
| C35 | H21 | sing | 1.09Å | 1.10Å | |
| C37 | H22 | sing | 1.09Å | 1.10Å | |
| N25 | H24 | sing | 0.97Å | 1.00Å | |
| N25 | H25 | sing | 0.97Å | 1.00Å | |
| N31 | H26 | sing | 1.01Å | 1.00Å | |
| N31 | H27 | sing | 1.01Å | 1.00Å | |
| O34 | H29 | sing | 0.97Å | 0.95Å | |
| O36 | H30 | sing | 0.97Å | 0.95Å | |
| O38 | H31 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O33 | C32 | O34 | 120.7° | 120.0° |
| O33 | C32 | C30 | 119.4° | 120.0° |
| O34 | C32 | C30 | 119.9° | 120.0° |
| C32 | O34 | H29 | 109.5° | 117.0° |
| C32 | C30 | N31 | 107.6° | 109.5° |
| C32 | C30 | C29 | 108.0° | 109.4° |
| C32 | C30 | H20 | 109.8° | 109.5° |
| N31 | C30 | C29 | 110.9° | 109.5° |
| N31 | C30 | H20 | 111.1° | 109.5° |
| C30 | N31 | H26 | 109.5° | 111.0° |
| C30 | N31 | H27 | 109.5° | 111.0° |
| C30 | C29 | C28 | 114.9° | 109.4° |
| C30 | C29 | H18 | 108.1° | 109.5° |
| C30 | C29 | H19 | 108.1° | 109.5° |
| C29 | C30 | H20 | 109.4° | 109.5° |
| C29 | C28 | N15 | 107.0° | 109.4° |
| C29 | C28 | H5 | 110.1° | 109.5° |
| C29 | C28 | H6 | 110.1° | 109.5° |
| C28 | C29 | H18 | 108.1° | 109.5° |
| C28 | C29 | H19 | 108.1° | 109.5° |
| C28 | N15 | C16 | 113.6° | 111.0° |
| C28 | N15 | C14 | 120.7° | 111.0° |
| N15 | C28 | H5 | 110.1° | 109.5° |
| N15 | C28 | H6 | 110.1° | 109.5° |
| O36 | C35 | C13 | 106.5° | 110.0° |
| O36 | C35 | C37 | 112.1° | 110.0° |
| O36 | C35 | H21 | 110.5° | 110.1° |
| C35 | O36 | H30 | 109.5° | 114.0° |
| N15 | C16 | C17 | 105.0° | 109.5° |
| C16 | N15 | C14 | 113.3° | 111.0° |
| N15 | C16 | H15 | 110.6° | 109.4° |
| N15 | C16 | H16 | 110.6° | 109.5° |
| C16 | C17 | C18 | 179.1° | 179.9° |
| C17 | C16 | H15 | 110.6° | 109.5° |
| C17 | C16 | H16 | 110.6° | 109.5° |
| N15 | C14 | C13 | 115.4° | 109.4° |
| N15 | C14 | H13 | 108.0° | 109.5° |
| N15 | C14 | H14 | 108.0° | 109.5° |
| C13 | C35 | C37 | 106.3° | 106.6° |
| C35 | C13 | C14 | 111.9° | 110.0° |
| C35 | C13 | C12 | 103.8° | 106.6° |
| C35 | C13 | H1 | 109.3° | 110.2° |
| C13 | C35 | H21 | 108.4° | 110.1° |
| C35 | C37 | O38 | 112.0° | 110.5° |
| C35 | C37 | C11 | 105.2° | 104.2° |
| C37 | C35 | H21 | 112.6° | 110.0° |
| C35 | C37 | H22 | 112.1° | 110.4° |
| C17 | C18 | C19 | 179.5° | 180.0° |
| O38 | C37 | C11 | 109.5° | 110.5° |
| O38 | C37 | H22 | 110.4° | 110.6° |
| C37 | O38 | H31 | 109.5° | 114.0° |
| C14 | C13 | C12 | 110.1° | 110.0° |
| C14 | C13 | H1 | 111.6° | 110.0° |
| C13 | C14 | H13 | 108.0° | 109.5° |
| C13 | C14 | H14 | 108.0° | 109.5° |
| C13 | C12 | C11 | 102.6° | 104.2° |
| C12 | C13 | H1 | 110.0° | 110.0° |
| C13 | C12 | H11 | 111.2° | 110.5° |
| C13 | C12 | H12 | 111.2° | 110.5° |
| C21 | C20 | C19 | 119.4° | 120.2° |
| C20 | C21 | C22 | 120.5° | 120.3° |
| C21 | C20 | H2 | 120.3° | 119.9° |
| C20 | C21 | H3 | 119.7° | 119.9° |
| C20 | C19 | C18 | 120.5° | 120.1° |
| C20 | C19 | C27 | 120.3° | 119.8° |
| C19 | C20 | H2 | 120.3° | 119.9° |
| C18 | C19 | C27 | 119.1° | 120.1° |
| C21 | C22 | C23 | 119.4° | 120.1° |
| C22 | C21 | H3 | 119.7° | 119.8° |
| C21 | C22 | H4 | 120.3° | 120.0° |
| C37 | C11 | C12 | 104.0° | 102.8° |
| C37 | C11 | N10 | 110.3° | 110.8° |
| C37 | C11 | H10 | 108.5° | 110.9° |
| C11 | C37 | H22 | 107.5° | 110.5° |
| C19 | C27 | C23 | 120.1° | 119.7° |
| C19 | C27 | H17 | 120.0° | 120.1° |
| C12 | C11 | N10 | 110.4° | 110.8° |
| C12 | C11 | H10 | 112.9° | 110.7° |
| C11 | C12 | H11 | 111.2° | 110.5° |
| C11 | C12 | H12 | 111.2° | 110.4° |
| C11 | N10 | C06 | 123.0° | 125.0° |
| C11 | N10 | C09 | 126.4° | 125.0° |
| N10 | C11 | H10 | 110.6° | 110.6° |
| C22 | C23 | C27 | 120.3° | 119.8° |
| C22 | C23 | C24 | 120.3° | 120.1° |
| C23 | C22 | H4 | 120.3° | 119.9° |
| C04 | N05 | C06 | 120.5° | 120.5° |
| N05 | C04 | N03 | 122.0° | 122.7° |
| N05 | C04 | H7 | 119.0° | 118.7° |
| N05 | C06 | N10 | 131.6° | 134.3° |
| N05 | C06 | C07 | 119.5° | 118.5° |
| C27 | C23 | C24 | 119.4° | 120.1° |
| C23 | C27 | H17 | 120.0° | 120.1° |
| C06 | N10 | C09 | 110.7° | 110.0° |
| N10 | C06 | C07 | 108.8° | 107.1° |
| N10 | C09 | C08 | 108.2° | 109.9° |
| N10 | C09 | H9 | 125.9° | 125.0° |
| C04 | N03 | C02 | 121.0° | 121.1° |
| N03 | C04 | H7 | 119.0° | 118.6° |
| C06 | C07 | C08 | 106.0° | 106.1° |
| C06 | C07 | C02 | 117.8° | 118.7° |
| C23 | C24 | N25 | 119.8° | 120.0° |
| C23 | C24 | O26 | 119.9° | 120.0° |
| C09 | C08 | C07 | 106.2° | 106.8° |
| C09 | C08 | H8 | 126.9° | 126.6° |
| C08 | C09 | H9 | 125.9° | 125.1° |
| N03 | C02 | C07 | 119.2° | 118.4° |
| N03 | C02 | CL1 | 120.2° | 120.8° |
| C08 | C07 | C02 | 136.1° | 135.1° |
| C07 | C08 | H8 | 126.9° | 126.6° |
| C07 | C02 | CL1 | 120.7° | 120.8° |
| N25 | C24 | O26 | 120.3° | 120.0° |
| C24 | N25 | H24 | 120.0° | 120.0° |
| C24 | N25 | H25 | 120.0° | 120.0° |
| H5 | C28 | H6 | 109.5° | 109.5° |
| H11 | C12 | H12 | 109.4° | 110.5° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H15 | C16 | H16 | 109.5° | 109.4° |
| H18 | C29 | H19 | 109.5° | 109.5° |
| H24 | N25 | H25 | 120.0° | 120.0° |
| H26 | N31 | H27 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O33 | C32 | O34 | C30 | 179.3° | 179.9° |
| O33 | C32 | C30 | N31 | 157.5° | 20.0° |
| O33 | C32 | C30 | C29 | 82.8° | 100.0° |
| O33 | C32 | C30 | H20 | 36.4° | 140.0° |
| O33 | C32 | O34 | H29 | 0.0° | 0.0° |
| O34 | C32 | C30 | N31 | 23.2° | 160.0° |
| O34 | C32 | C30 | C29 | 96.6° | 80.1° |
| O34 | C32 | C30 | H20 | 144.2° | 39.9° |
| C32 | C30 | N31 | C29 | 117.9° | 120.0° |
| C32 | C30 | N31 | H20 | 120.2° | 120.0° |
| C32 | C30 | C29 | H20 | 119.4° | 120.0° |
| C32 | C30 | C29 | C28 | 131.0° | 175.0° |
| C32 | C30 | C29 | H18 | 108.2° | 55.0° |
| C32 | C30 | C29 | H19 | 10.2° | 65.0° |
| C32 | C30 | N31 | H26 | 180.0° | 60.0° |
| C32 | C30 | N31 | H27 | 60.0° | 176.1° |
| C30 | C32 | O34 | H29 | 179.4° | 180.0° |
| N31 | C30 | C29 | H20 | 122.9° | 120.0° |
| N31 | C30 | C29 | C28 | 111.4° | 65.0° |
| N31 | C30 | C29 | H18 | 9.4° | 174.9° |
| N31 | C30 | C29 | H19 | 127.9° | 55.0° |
| C30 | N31 | H26 | H27 | 120.0° | 123.9° |
| C30 | C29 | C28 | H18 | 120.8° | 120.0° |
| C30 | C29 | C28 | H19 | 120.8° | 120.0° |
| C30 | C29 | C28 | N15 | 162.2° | 174.2° |
| C30 | C29 | C28 | H5 | 42.6° | 54.2° |
| C30 | C29 | C28 | H6 | 78.2° | 65.8° |
| C30 | C29 | H18 | H19 | 117.5° | 120.0° |
| C29 | C30 | N31 | H26 | 62.1° | 59.9° |
| C29 | C30 | N31 | H27 | 177.9° | 63.9° |
| C29 | C28 | N15 | H5 | 119.6° | 120.0° |
| C29 | C28 | N15 | H6 | 119.6° | 120.0° |
| C29 | C28 | N15 | C16 | 109.4° | 163.5° |
| C29 | C28 | N15 | C14 | 110.9° | 72.5° |
| C29 | C28 | H5 | H6 | 121.1° | 120.0° |
| C28 | C29 | H18 | H19 | 117.5° | 120.1° |
| C28 | C29 | C30 | H20 | 11.5° | 55.0° |
| C28 | N15 | C16 | C14 | 142.7° | 123.9° |
| C28 | N15 | C16 | C17 | 117.1° | 71.5° |
| C28 | N15 | C14 | C13 | 25.7° | 163.0° |
| N15 | C28 | H5 | H6 | 121.1° | 120.0° |
| C28 | N15 | C14 | H13 | 95.1° | 43.0° |
| C28 | N15 | C14 | H14 | 146.6° | 77.0° |
| C28 | N15 | C16 | H15 | 2.2° | 168.5° |
| C28 | N15 | C16 | H16 | 123.6° | 48.6° |
| N15 | C28 | C29 | H18 | 77.0° | 54.2° |
| N15 | C28 | C29 | H19 | 41.4° | 65.8° |
| O36 | C35 | C13 | C37 | 119.7° | 119.2° |
| O36 | C35 | C13 | H21 | 119.0° | 121.4° |
| O36 | C35 | C37 | H21 | 125.4° | 121.4° |
| O36 | C35 | C37 | O38 | 22.1° | 23.0° |
| O36 | C35 | C13 | C14 | 117.9° | 121.5° |
| O36 | C35 | C13 | C12 | 123.4° | 119.3° |
| O36 | C35 | C37 | C11 | 96.8° | 95.7° |
| O36 | C35 | C13 | H1 | 6.1° | 0.0° |
| O36 | C35 | C37 | H22 | 146.7° | 145.7° |
| N15 | C16 | C17 | H15 | 119.3° | 120.0° |
| N15 | C16 | C17 | H16 | 119.3° | 120.1° |
| N15 | C16 | C17 | C18 | 76.5° | 77.8° |
| C16 | N15 | C14 | C13 | 114.0° | 73.1° |
| C16 | N15 | C28 | H5 | 10.2° | 43.5° |
| C16 | N15 | C28 | H6 | 131.0° | 76.5° |
| C16 | N15 | C14 | H13 | 125.1° | 166.9° |
| C16 | N15 | C14 | H14 | 6.8° | 46.9° |
| N15 | C16 | H15 | H16 | 122.1° | 120.0° |
| C17 | C16 | N15 | C14 | 100.2° | 164.6° |
| C16 | C17 | C18 | C19 | 60.8° | 151.1° |
| C17 | C16 | H15 | H16 | 122.1° | 120.0° |
| N15 | C14 | C13 | C35 | 82.1° | 68.6° |
| N15 | C14 | C13 | H13 | 120.9° | 120.0° |
| N15 | C14 | C13 | H14 | 120.9° | 120.0° |
| N15 | C14 | C13 | C12 | 163.1° | 174.2° |
| N15 | C14 | C13 | H1 | 40.7° | 52.9° |
| C14 | N15 | C28 | H5 | 129.5° | 167.4° |
| C14 | N15 | C28 | H6 | 8.7° | 47.5° |
| N15 | C14 | H13 | H14 | 117.3° | 120.0° |
| C14 | N15 | C16 | H15 | 140.5° | 44.6° |
| C14 | N15 | C16 | H16 | 19.1° | 75.4° |
| C13 | C35 | C37 | H21 | 118.6° | 119.3° |
| C13 | C35 | C37 | O38 | 138.1° | 142.2° |
| C35 | C13 | C14 | C12 | 114.9° | 117.1° |
| C35 | C13 | C14 | H1 | 122.8° | 121.5° |
| C35 | C13 | C12 | H1 | 116.8° | 119.4° |
| C13 | C35 | C37 | C11 | 19.3° | 23.5° |
| C35 | C13 | C12 | C11 | 30.2° | 23.6° |
| C35 | C13 | C12 | H11 | 149.1° | 142.3° |
| C35 | C13 | C12 | H12 | 88.7° | 95.0° |
| C35 | C13 | C14 | H13 | 157.1° | 51.4° |
| C35 | C13 | C14 | H14 | 38.8° | 171.4° |
| C13 | C35 | C37 | H22 | 97.3° | 95.1° |
| C13 | C35 | O36 | H30 | 180.0° | 180.0° |
| C35 | C37 | O38 | C11 | 116.3° | 114.8° |
| C35 | C37 | O38 | H22 | 125.6° | 122.6° |
| C37 | C35 | C13 | C14 | 122.3° | 119.3° |
| C37 | C35 | C13 | C12 | 3.7° | 0.1° |
| C35 | C37 | C11 | H22 | 119.6° | 118.6° |
| C35 | C37 | C11 | C12 | 41.2° | 37.9° |
| C35 | C37 | C11 | N10 | 159.6° | 156.2° |
| C37 | C35 | C13 | H1 | 113.6° | 119.3° |
| C35 | C37 | C11 | H10 | 79.1° | 80.5° |
| C37 | C35 | O36 | H30 | 64.1° | 62.8° |
| C35 | C37 | O38 | H31 | 180.0° | 61.5° |
| C17 | C18 | C19 | C20 | 24.1° | 48.8° |
| C17 | C18 | C19 | C27 | 156.3° | 131.1° |
| C18 | C17 | C16 | H15 | 42.8° | 162.2° |
| C18 | C17 | C16 | H16 | 164.2° | 42.2° |
| O38 | C37 | C11 | H22 | 119.9° | 122.7° |
| O38 | C37 | C11 | C12 | 161.7° | 156.6° |
| O38 | C37 | C11 | N10 | 79.9° | 85.1° |
| O38 | C37 | C11 | H10 | 41.3° | 38.2° |
| O38 | C37 | C35 | H21 | 103.3° | 98.4° |
| C14 | C13 | C12 | H1 | 123.3° | 121.3° |
| C14 | C13 | C12 | C11 | 150.1° | 142.9° |
| C14 | C13 | C12 | H11 | 91.0° | 98.4° |
| C14 | C13 | C12 | H12 | 31.2° | 24.2° |
| C13 | C14 | H13 | H14 | 117.3° | 120.0° |
| C14 | C13 | C35 | H21 | 1.1° | 0.0° |
| C13 | C12 | C11 | C37 | 40.9° | 37.9° |
| C13 | C12 | C11 | H11 | 118.9° | 118.7° |
| C13 | C12 | C11 | H12 | 118.9° | 118.7° |
| C13 | C12 | C11 | N10 | 159.2° | 156.3° |
| C13 | C12 | C11 | H10 | 76.4° | 80.6° |
| C13 | C12 | H11 | H12 | 123.2° | 122.7° |
| C12 | C13 | C14 | H13 | 42.2° | 65.8° |
| C12 | C13 | C14 | H14 | 76.1° | 54.2° |
| C12 | C13 | C35 | H21 | 117.6° | 119.3° |
| C21 | C20 | C19 | H2 | 180.0° | 179.8° |
| C21 | C20 | C19 | C18 | 180.0° | 180.0° |
| C20 | C21 | C22 | H3 | 180.0° | 180.0° |
| C21 | C20 | C19 | C27 | 0.4° | 0.1° |
| C20 | C21 | C22 | C23 | 0.2° | 0.0° |
| C20 | C21 | C22 | H4 | 179.8° | 180.0° |
| C20 | C19 | C18 | C27 | 179.6° | 179.9° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C20 | C19 | C27 | C23 | 0.9° | 0.1° |
| C19 | C20 | C21 | H3 | 179.9° | 180.0° |
| C20 | C19 | C27 | H17 | 179.1° | 180.0° |
| C18 | C19 | C27 | C23 | 179.5° | 179.9° |
| C18 | C19 | C20 | H2 | 0.0° | 0.2° |
| C18 | C19 | C27 | H17 | 0.5° | 0.1° |
| C21 | C22 | C23 | H4 | 180.0° | 179.9° |
| C21 | C22 | C23 | C27 | 0.2° | 0.0° |
| C21 | C22 | C23 | C24 | 180.0° | 180.0° |
| C22 | C21 | C20 | H2 | 179.9° | 179.8° |
| C37 | C11 | C12 | N10 | 118.3° | 118.4° |
| C37 | C11 | C12 | H10 | 117.3° | 118.5° |
| C37 | C11 | N10 | H10 | 120.0° | 123.4° |
| C37 | C11 | N10 | C06 | 149.8° | 126.6° |
| C37 | C11 | N10 | C09 | 30.9° | 53.4° |
| C37 | C11 | C12 | H11 | 159.8° | 156.6° |
| C37 | C11 | C12 | H12 | 77.9° | 80.8° |
| C11 | C37 | C35 | H21 | 137.8° | 142.9° |
| C11 | C37 | O38 | H31 | 63.7° | 176.3° |
| C19 | C27 | C23 | C22 | 0.8° | 0.1° |
| C19 | C27 | C23 | H17 | 180.0° | 179.9° |
| C19 | C27 | C23 | C24 | 179.5° | 180.0° |
| C27 | C19 | C20 | H2 | 179.6° | 179.7° |
| C12 | C11 | N10 | H10 | 125.7° | 123.2° |
| C12 | C11 | N10 | C06 | 95.9° | 120.0° |
| C12 | C11 | N10 | C09 | 83.5° | 60.0° |
| C11 | C12 | C13 | H1 | 86.6° | 95.8° |
| C11 | C12 | H11 | H12 | 123.2° | 122.6° |
| C12 | C11 | C37 | H22 | 78.4° | 80.7° |
| C11 | N10 | C06 | N05 | 0.6° | 0.0° |
| C11 | N10 | C06 | C09 | 179.4° | 180.0° |
| C11 | N10 | C06 | C07 | 180.0° | 180.0° |
| C11 | N10 | C09 | C08 | 179.7° | 180.0° |
| C11 | N10 | C09 | H9 | 0.3° | 0.1° |
| N10 | C11 | C12 | H11 | 81.9° | 85.0° |
| N10 | C11 | C12 | H12 | 40.3° | 37.6° |
| N10 | C11 | C37 | H22 | 40.0° | 37.6° |
| C22 | C23 | C27 | C24 | 179.7° | 180.0° |
| C22 | C23 | C24 | N25 | 139.6° | 0.1° |
| C22 | C23 | C24 | O26 | 40.2° | 180.0° |
| C23 | C22 | C21 | H3 | 179.8° | 180.0° |
| C22 | C23 | C27 | H17 | 179.2° | 180.0° |
| C04 | N05 | C06 | N10 | 179.4° | 179.7° |
| N05 | C04 | N03 | H7 | 180.0° | 180.0° |
| C04 | N05 | C06 | C07 | 0.2° | 0.3° |
| N05 | C04 | N03 | C02 | 0.5° | 0.0° |
| N05 | C06 | N10 | C07 | 179.3° | 180.0° |
| N05 | C06 | N10 | C09 | 179.9° | 180.0° |
| C06 | N05 | C04 | N03 | 0.4° | 0.3° |
| N05 | C06 | C07 | C08 | 180.0° | 180.0° |
| N05 | C06 | C07 | C02 | 0.6° | 0.0° |
| C06 | N05 | C04 | H7 | 179.5° | 179.7° |
| C27 | C23 | C24 | N25 | 40.1° | 180.0° |
| C27 | C23 | C24 | O26 | 140.1° | 0.0° |
| C27 | C23 | C22 | H4 | 179.8° | 180.0° |
| C06 | N10 | C09 | C08 | 0.3° | 0.0° |
| N10 | C06 | C07 | C08 | 0.6° | 0.0° |
| N10 | C06 | C07 | C02 | 180.0° | 180.0° |
| C06 | N10 | C09 | H9 | 179.7° | 179.9° |
| C06 | N10 | C11 | H10 | 29.8° | 3.2° |
| C09 | N10 | C06 | C07 | 0.6° | 0.0° |
| N10 | C09 | C08 | H9 | 180.0° | 179.9° |
| N10 | C09 | C08 | C07 | 0.1° | 0.0° |
| N10 | C09 | C08 | H8 | 180.0° | 180.0° |
| C09 | N10 | C11 | H10 | 150.9° | 176.8° |
| C04 | N03 | C02 | C07 | 0.0° | 0.3° |
| C04 | N03 | C02 | CL1 | 179.7° | 180.0° |
| C06 | C07 | C08 | C09 | 0.4° | 0.0° |
| C06 | C07 | C02 | N03 | 0.5° | 0.3° |
| C06 | C07 | C08 | C02 | 179.1° | 180.0° |
| C06 | C07 | C02 | CL1 | 179.1° | 180.0° |
| C06 | C07 | C08 | H8 | 179.6° | 180.0° |
| C23 | C24 | N25 | O26 | 179.8° | 179.9° |
| C24 | C23 | C22 | H4 | 0.0° | 0.1° |
| C24 | C23 | C27 | H17 | 0.5° | 0.1° |
| C23 | C24 | N25 | H24 | 179.8° | 180.0° |
| C23 | C24 | N25 | H25 | 0.2° | 0.1° |
| C09 | C08 | C07 | H8 | 180.0° | 180.0° |
| C09 | C08 | C07 | C02 | 179.6° | 180.0° |
| N03 | C02 | C07 | C08 | 179.6° | 179.8° |
| N03 | C02 | C07 | CL1 | 179.7° | 179.7° |
| C02 | N03 | C04 | H7 | 179.5° | 180.0° |
| C08 | C07 | C02 | CL1 | 0.1° | 0.0° |
| C07 | C08 | C09 | H9 | 179.9° | 180.0° |
| C02 | C07 | C08 | H8 | 0.5° | 0.0° |
| C24 | N25 | H24 | H25 | 180.0° | 179.9° |
| O26 | C24 | N25 | H24 | 0.0° | 0.0° |
| O26 | C24 | N25 | H25 | 180.0° | 180.0° |
| H1 | C13 | C12 | H11 | 32.3° | 22.9° |
| H1 | C13 | C12 | H12 | 154.5° | 145.6° |
| H1 | C13 | C14 | H13 | 80.2° | 172.9° |
| H1 | C13 | C14 | H14 | 161.6° | 67.1° |
| H1 | C13 | C35 | H21 | 125.1° | 121.4° |
| H2 | C20 | C21 | H3 | 0.1° | 0.2° |
| H3 | C21 | C22 | H4 | 0.2° | 0.0° |
| H5 | C28 | C29 | H18 | 163.4° | 65.7° |
| H5 | C28 | C29 | H19 | 78.2° | 174.2° |
| H6 | C28 | C29 | H18 | 42.6° | 174.2° |
| H6 | C28 | C29 | H19 | 161.0° | 54.2° |
| H8 | C08 | C09 | H9 | 0.0° | 0.0° |
| H10 | C11 | C12 | H11 | 42.5° | 38.1° |
| H10 | C11 | C12 | H12 | 164.7° | 160.7° |
| H10 | C11 | C37 | H22 | 161.3° | 160.9° |
| H18 | C29 | C30 | H20 | 132.3° | 65.0° |
| H19 | C29 | C30 | H20 | 109.2° | 175.0° |
| H20 | C30 | N31 | H26 | 59.8° | 180.0° |
| H20 | C30 | N31 | H27 | 60.2° | 56.1° |
| H21 | C35 | C37 | H22 | 21.3° | 24.2° |
| H21 | C35 | O36 | H30 | 62.5° | 58.6° |
| H22 | C37 | O38 | H31 | 54.4° | 61.1° |
