K5T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O36 | C40 | doub | 1.21Å | 1.22Å | |
| N33 | C35 | sing | 1.35Å | 1.42Å | |
| C40 | C39 | sing | 1.51Å | 1.51Å | |
| C40 | N41 | sing | 1.35Å | 1.42Å | |
| C35 | C42 | sing | 1.51Å | 1.51Å | |
| C35 | O34 | doub | 1.21Å | 1.22Å | |
| C39 | N38 | sing | 1.47Å | 1.42Å | |
| C39 | C37 | sing | 1.53Å | 1.52Å | |
| C42 | N41 | sing | 1.47Å | 1.42Å | |
| C42 | C43 | sing | 1.53Å | 1.52Å | |
| C44 | C43 | sing | 1.53Å | 1.52Å | |
| C44 | C45 | sing | 1.51Å | 1.52Å | |
| N46 | C45 | sing | 1.35Å | 1.42Å | |
| N46 | C47 | sing | 1.47Å | 1.42Å | |
| C45 | O32 | doub | 1.21Å | 1.21Å | |
| O30 | C31 | doub | 1.21Å | 1.22Å | |
| C49 | C48 | sing | 1.53Å | 1.52Å | |
| C49 | C23 | sing | 1.53Å | 1.51Å | |
| C48 | C47 | sing | 1.53Å | 1.51Å | |
| C23 | C01 | sing | 1.53Å | 1.51Å | |
| C47 | C31 | sing | 1.51Å | 1.51Å | |
| C31 | N29 | sing | 1.35Å | 1.43Å | |
| C01 | N02 | sing | 1.46Å | 1.42Å | |
| N29 | C28 | sing | 1.46Å | 1.42Å | |
| O26 | C27 | doub | 1.21Å | 1.26Å | |
| C28 | C27 | sing | 1.51Å | 1.51Å | |
| C28 | C24 | sing | 1.53Å | 1.51Å | |
| C27 | O25 | sing | 1.34Å | 1.26Å | |
| N02 | C03 | sing | 1.35Å | 1.42Å | |
| C03 | O22 | doub | 1.21Å | 1.22Å | |
| C03 | C04 | sing | 1.51Å | 1.52Å | |
| C04 | N05 | sing | 1.47Å | 1.42Å | |
| N05 | C06 | sing | 1.35Å | 1.42Å | |
| O07 | C06 | doub | 1.21Å | 1.22Å | |
| C06 | C08 | sing | 1.51Å | 1.52Å | |
| C08 | N09 | sing | 1.47Å | 1.42Å | |
| O21 | C10 | doub | 1.21Å | 1.22Å | |
| O20 | C13 | doub | 1.21Å | 1.22Å | |
| N09 | C10 | sing | 1.35Å | 1.42Å | |
| C10 | C11 | sing | 1.51Å | 1.51Å | |
| O19 | C16 | doub | 1.21Å | 1.22Å | |
| C13 | C14 | sing | 1.51Å | 1.51Å | |
| C13 | N12 | sing | 1.35Å | 1.43Å | |
| C14 | N15 | sing | 1.46Å | 1.42Å | |
| C11 | N12 | sing | 1.47Å | 1.42Å | |
| C16 | N15 | sing | 1.35Å | 1.42Å | |
| C16 | C17 | sing | 1.51Å | 1.52Å | |
| N18 | C17 | sing | 1.47Å | 1.42Å | |
| N12 | H1 | sing | 0.97Å | 1.00Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C24 | H6 | sing | 1.09Å | 1.10Å | |
| C28 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| N02 | H10 | sing | 0.97Å | 1.00Å | |
| C04 | H11 | sing | 1.09Å | 1.10Å | |
| C04 | H12 | sing | 1.09Å | 1.10Å | |
| N05 | H13 | sing | 0.97Å | 1.00Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C08 | H15 | sing | 1.09Å | 1.10Å | |
| N09 | H16 | sing | 0.97Å | 1.00Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C11 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| N15 | H21 | sing | 0.97Å | 1.00Å | |
| N18 | H22 | sing | 1.01Å | 1.00Å | |
| N18 | H24 | sing | 1.01Å | 1.00Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| O25 | H27 | sing | 0.97Å | 0.95Å | |
| N29 | H28 | sing | 0.97Å | 1.00Å | |
| N33 | H29 | sing | 0.97Å | 1.00Å | |
| N33 | H30 | sing | 0.97Å | 1.00Å | |
| C37 | H31 | sing | 1.09Å | 1.10Å | |
| C37 | H32 | sing | 1.09Å | 1.10Å | |
| C37 | H33 | sing | 1.09Å | 1.10Å | |
| N38 | H34 | sing | 1.01Å | 1.00Å | |
| N38 | H35 | sing | 1.01Å | 1.00Å | |
| C39 | H37 | sing | 1.09Å | 1.10Å | |
| N41 | H38 | sing | 0.97Å | 1.00Å | |
| C42 | H39 | sing | 1.09Å | 1.10Å | |
| C43 | H40 | sing | 1.09Å | 1.10Å | |
| C43 | H41 | sing | 1.09Å | 1.10Å | |
| C44 | H42 | sing | 1.09Å | 1.10Å | |
| C44 | H43 | sing | 1.09Å | 1.10Å | |
| N46 | H44 | sing | 0.97Å | 1.00Å | |
| C47 | H45 | sing | 1.09Å | 1.10Å | |
| C48 | H46 | sing | 1.09Å | 1.10Å | |
| C48 | H47 | sing | 1.09Å | 1.10Å | |
| C49 | H48 | sing | 1.09Å | 1.10Å | |
| C49 | H49 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O36 | C40 | C39 | 119.4° | 120.0° |
| O36 | C40 | N41 | 120.7° | 120.1° |
| N33 | C35 | C42 | 120.0° | 120.0° |
| N33 | C35 | O34 | 120.2° | 120.0° |
| C35 | N33 | H29 | 120.0° | 120.0° |
| C35 | N33 | H30 | 120.0° | 120.0° |
| C39 | C40 | N41 | 119.9° | 120.0° |
| C40 | C39 | N38 | 110.9° | 109.5° |
| C40 | C39 | C37 | 112.9° | 109.5° |
| C40 | C39 | H37 | 106.7° | 109.5° |
| C40 | N41 | C42 | 121.1° | 120.0° |
| C40 | N41 | H38 | 119.5° | 120.1° |
| C42 | C35 | O34 | 119.8° | 120.0° |
| C35 | C42 | N41 | 107.5° | 109.5° |
| C35 | C42 | C43 | 112.4° | 109.5° |
| C35 | C42 | H39 | 108.2° | 109.5° |
| N38 | C39 | C37 | 111.5° | 109.5° |
| C39 | N38 | H34 | 109.5° | 111.0° |
| C39 | N38 | H35 | 109.5° | 111.0° |
| N38 | C39 | H37 | 107.8° | 109.5° |
| C39 | C37 | H31 | 109.5° | 109.5° |
| C39 | C37 | H32 | 109.5° | 109.4° |
| C39 | C37 | H33 | 109.5° | 109.5° |
| C37 | C39 | H37 | 106.7° | 109.5° |
| N41 | C42 | C43 | 111.3° | 109.5° |
| C42 | N41 | H38 | 119.4° | 119.9° |
| N41 | C42 | H39 | 109.4° | 109.5° |
| C42 | C43 | C44 | 112.9° | 109.5° |
| C43 | C42 | H39 | 108.1° | 109.5° |
| C42 | C43 | H40 | 108.6° | 109.5° |
| C42 | C43 | H41 | 108.6° | 109.5° |
| C43 | C44 | C45 | 115.3° | 109.5° |
| C44 | C43 | H40 | 108.6° | 109.4° |
| C44 | C43 | H41 | 108.6° | 109.4° |
| C43 | C44 | H42 | 108.0° | 109.5° |
| C43 | C44 | H43 | 108.0° | 109.5° |
| C44 | C45 | N46 | 118.7° | 120.0° |
| C44 | C45 | O32 | 120.8° | 120.0° |
| C45 | C44 | H42 | 108.0° | 109.4° |
| C45 | C44 | H43 | 108.0° | 109.4° |
| C45 | N46 | C47 | 121.7° | 120.0° |
| N46 | C45 | O32 | 120.5° | 120.0° |
| C45 | N46 | H44 | 119.2° | 120.0° |
| N46 | C47 | C48 | 109.8° | 109.5° |
| N46 | C47 | C31 | 110.7° | 109.5° |
| C47 | N46 | H44 | 119.2° | 120.0° |
| N46 | C47 | H45 | 108.7° | 109.4° |
| O30 | C31 | C47 | 119.1° | 120.1° |
| O30 | C31 | N29 | 121.1° | 120.0° |
| C48 | C49 | C23 | 113.7° | 109.5° |
| C49 | C48 | C47 | 112.7° | 109.5° |
| C49 | C48 | H46 | 108.7° | 109.4° |
| C49 | C48 | H47 | 108.7° | 109.5° |
| C48 | C49 | H48 | 108.4° | 109.5° |
| C48 | C49 | H49 | 108.4° | 109.4° |
| C49 | C23 | C01 | 113.1° | 109.5° |
| C49 | C23 | H25 | 108.6° | 109.4° |
| C49 | C23 | H26 | 108.6° | 109.5° |
| C23 | C49 | H48 | 108.4° | 109.5° |
| C23 | C49 | H49 | 108.4° | 109.5° |
| C48 | C47 | C31 | 112.5° | 109.5° |
| C48 | C47 | H45 | 107.5° | 109.5° |
| C47 | C48 | H46 | 108.7° | 109.5° |
| C47 | C48 | H47 | 108.7° | 109.5° |
| C23 | C01 | N02 | 111.1° | 109.5° |
| C23 | C01 | H8 | 109.0° | 109.4° |
| C23 | C01 | H9 | 109.1° | 109.5° |
| C01 | C23 | H25 | 108.6° | 109.5° |
| C01 | C23 | H26 | 108.5° | 109.5° |
| C47 | C31 | N29 | 119.8° | 120.0° |
| C31 | C47 | H45 | 107.5° | 109.5° |
| C31 | N29 | C28 | 121.7° | 120.0° |
| C31 | N29 | H28 | 119.1° | 120.0° |
| C01 | N02 | C03 | 121.0° | 120.0° |
| N02 | C01 | H8 | 109.1° | 109.5° |
| N02 | C01 | H9 | 109.0° | 109.5° |
| C01 | N02 | H10 | 119.5° | 120.0° |
| N29 | C28 | C27 | 111.0° | 109.4° |
| N29 | C28 | C24 | 110.8° | 109.5° |
| N29 | C28 | H7 | 108.1° | 109.5° |
| C28 | N29 | H28 | 119.1° | 120.0° |
| O26 | C27 | C28 | 120.1° | 120.0° |
| O26 | C27 | O25 | 119.6° | 120.1° |
| C27 | C28 | C24 | 112.6° | 109.4° |
| C28 | C27 | O25 | 120.3° | 120.0° |
| C27 | C28 | H7 | 107.0° | 109.5° |
| C28 | C24 | H4 | 109.5° | 109.5° |
| C28 | C24 | H5 | 109.5° | 109.5° |
| C28 | C24 | H6 | 109.4° | 109.5° |
| C24 | C28 | H7 | 107.0° | 109.5° |
| C27 | O25 | H27 | 109.5° | 116.9° |
| N02 | C03 | O22 | 120.5° | 120.0° |
| N02 | C03 | C04 | 120.2° | 120.0° |
| C03 | N02 | H10 | 119.5° | 120.0° |
| O22 | C03 | C04 | 119.4° | 120.0° |
| C03 | C04 | N05 | 110.6° | 109.5° |
| C03 | C04 | H11 | 109.2° | 109.5° |
| C03 | C04 | H12 | 109.2° | 109.4° |
| C04 | N05 | C06 | 121.2° | 119.9° |
| N05 | C04 | H11 | 109.2° | 109.5° |
| N05 | C04 | H12 | 109.2° | 109.5° |
| C04 | N05 | H13 | 119.4° | 120.0° |
| N05 | C06 | O07 | 120.2° | 120.1° |
| N05 | C06 | C08 | 119.1° | 120.0° |
| C06 | N05 | H13 | 119.4° | 120.1° |
| O07 | C06 | C08 | 120.7° | 120.0° |
| C06 | C08 | N09 | 111.5° | 109.4° |
| C06 | C08 | H14 | 109.0° | 109.5° |
| C06 | C08 | H15 | 109.0° | 109.5° |
| C08 | N09 | C10 | 120.7° | 120.0° |
| N09 | C08 | H14 | 109.0° | 109.4° |
| N09 | C08 | H15 | 109.0° | 109.4° |
| C08 | N09 | H16 | 119.7° | 120.0° |
| O21 | C10 | N09 | 120.1° | 120.1° |
| O21 | C10 | C11 | 120.3° | 120.0° |
| O20 | C13 | C14 | 119.1° | 120.0° |
| O20 | C13 | N12 | 119.8° | 120.0° |
| N09 | C10 | C11 | 119.5° | 120.0° |
| C10 | N09 | H16 | 119.6° | 120.1° |
| C10 | C11 | N12 | 110.7° | 109.5° |
| C10 | C11 | H17 | 109.1° | 109.5° |
| C10 | C11 | H18 | 109.1° | 109.5° |
| O19 | C16 | N15 | 120.6° | 120.0° |
| O19 | C16 | C17 | 121.7° | 120.0° |
| C14 | C13 | N12 | 121.1° | 120.0° |
| C13 | C14 | N15 | 110.6° | 109.5° |
| C13 | C14 | H19 | 109.2° | 109.4° |
| C13 | C14 | H20 | 109.2° | 109.5° |
| C13 | N12 | C11 | 120.3° | 120.0° |
| C13 | N12 | H1 | 119.8° | 120.0° |
| C14 | N15 | C16 | 121.4° | 120.0° |
| N15 | C14 | H19 | 109.2° | 109.5° |
| N15 | C14 | H20 | 109.2° | 109.5° |
| C14 | N15 | H21 | 119.3° | 120.0° |
| C11 | N12 | H1 | 119.9° | 120.0° |
| N12 | C11 | H17 | 109.2° | 109.4° |
| N12 | C11 | H18 | 109.1° | 109.4° |
| N15 | C16 | C17 | 117.8° | 120.0° |
| C16 | N15 | H21 | 119.3° | 120.0° |
| C16 | C17 | N18 | 113.4° | 109.5° |
| C16 | C17 | H2 | 108.5° | 109.5° |
| C16 | C17 | H3 | 108.5° | 109.4° |
| N18 | C17 | H2 | 108.5° | 109.5° |
| N18 | C17 | H3 | 108.5° | 109.5° |
| C17 | N18 | H22 | 109.5° | 111.0° |
| C17 | N18 | H24 | 109.5° | 111.0° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H4 | C24 | H5 | 109.5° | 109.4° |
| H4 | C24 | H6 | 109.5° | 109.4° |
| H5 | C24 | H6 | 109.5° | 109.5° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H11 | C04 | H12 | 109.5° | 109.5° |
| H14 | C08 | H15 | 109.5° | 109.5° |
| H17 | C11 | H18 | 109.5° | 109.5° |
| H19 | C14 | H20 | 109.5° | 109.4° |
| H22 | N18 | H24 | 109.4° | 111.0° |
| H25 | C23 | H26 | 109.5° | 109.5° |
| H29 | N33 | H30 | 120.0° | 120.0° |
| H31 | C37 | H32 | 109.5° | 109.5° |
| H31 | C37 | H33 | 109.5° | 109.5° |
| H32 | C37 | H33 | 109.5° | 109.5° |
| H34 | N38 | H35 | 109.4° | 111.0° |
| H40 | C43 | H41 | 109.5° | 109.5° |
| H42 | C44 | H43 | 109.5° | 109.5° |
| H46 | C48 | H47 | 109.5° | 109.5° |
| H48 | C49 | H49 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O36 | C40 | C39 | N41 | 179.9° | 180.0° |
| O36 | C40 | C39 | N38 | 112.0° | 20.0° |
| O36 | C40 | C39 | C37 | 122.1° | 100.0° |
| O36 | C40 | N41 | C42 | 0.8° | 0.0° |
| O36 | C40 | C39 | H37 | 5.2° | 140.0° |
| O36 | C40 | N41 | H38 | 179.3° | 180.0° |
| N33 | C35 | C42 | O34 | 179.6° | 180.0° |
| N33 | C35 | C42 | N41 | 115.3° | 180.0° |
| N33 | C35 | C42 | C43 | 122.0° | 60.0° |
| C35 | N33 | H29 | H30 | 180.0° | 180.0° |
| N33 | C35 | C42 | H39 | 2.7° | 60.0° |
| C40 | C39 | N38 | C37 | 126.7° | 120.0° |
| C40 | C39 | N38 | H37 | 116.5° | 120.0° |
| C40 | C39 | C37 | H37 | 116.9° | 120.0° |
| C39 | C40 | N41 | C42 | 179.2° | 180.0° |
| C40 | C39 | C37 | H31 | 180.0° | 60.0° |
| C40 | C39 | C37 | H32 | 60.0° | 60.0° |
| C40 | C39 | C37 | H33 | 60.0° | 180.0° |
| C40 | C39 | N38 | H34 | 180.0° | 64.0° |
| C40 | C39 | N38 | H35 | 60.0° | 60.0° |
| C39 | C40 | N41 | H38 | 0.8° | 0.0° |
| C40 | N41 | C42 | C35 | 78.1° | 85.0° |
| N41 | C40 | C39 | N38 | 68.1° | 160.0° |
| N41 | C40 | C39 | C37 | 57.9° | 80.0° |
| C40 | N41 | C42 | H38 | 180.0° | 180.0° |
| C40 | N41 | C42 | C43 | 158.5° | 155.0° |
| N41 | C40 | C39 | H37 | 174.8° | 40.0° |
| C40 | N41 | C42 | H39 | 39.1° | 35.0° |
| C35 | C42 | N41 | C43 | 123.4° | 120.0° |
| C35 | C42 | N41 | H39 | 117.2° | 120.0° |
| C35 | C42 | C43 | H39 | 119.3° | 120.0° |
| C35 | C42 | C43 | C44 | 60.0° | 175.0° |
| C42 | C35 | N33 | H29 | 179.6° | 0.0° |
| C42 | C35 | N33 | H30 | 0.4° | 180.0° |
| C35 | C42 | N41 | H38 | 101.9° | 95.0° |
| C35 | C42 | C43 | H40 | 60.6° | 55.1° |
| C35 | C42 | C43 | H41 | 179.5° | 65.0° |
| O34 | C35 | C42 | N41 | 64.3° | 0.0° |
| O34 | C35 | C42 | C43 | 58.4° | 120.0° |
| O34 | C35 | N33 | H29 | 0.0° | 180.0° |
| O34 | C35 | N33 | H30 | 180.0° | 0.0° |
| O34 | C35 | C42 | H39 | 177.8° | 120.0° |
| N38 | C39 | C37 | H37 | 117.4° | 120.0° |
| N38 | C39 | C37 | H31 | 54.4° | 60.0° |
| N38 | C39 | C37 | H32 | 65.6° | 180.0° |
| N38 | C39 | C37 | H33 | 174.4° | 60.0° |
| C39 | N38 | H34 | H35 | 120.0° | 124.0° |
| C39 | C37 | H31 | H32 | 120.0° | 120.0° |
| C39 | C37 | H31 | H33 | 120.0° | 120.0° |
| C39 | C37 | H32 | H33 | 120.0° | 120.0° |
| C37 | C39 | N38 | H34 | 53.3° | 176.0° |
| C37 | C39 | N38 | H35 | 173.2° | 60.0° |
| N41 | C42 | C43 | H39 | 120.1° | 120.0° |
| N41 | C42 | C43 | C44 | 179.5° | 65.0° |
| N41 | C42 | C43 | H40 | 60.0° | 175.1° |
| N41 | C42 | C43 | H41 | 59.0° | 55.0° |
| C42 | C43 | C44 | H40 | 120.5° | 120.0° |
| C42 | C43 | C44 | H41 | 120.5° | 120.0° |
| C42 | C43 | C44 | C45 | 165.3° | 180.0° |
| C43 | C42 | N41 | H38 | 21.5° | 25.0° |
| C42 | C43 | H40 | H41 | 118.4° | 120.1° |
| C42 | C43 | C44 | H42 | 73.9° | 60.0° |
| C42 | C43 | C44 | H43 | 44.4° | 60.0° |
| C43 | C44 | C45 | H42 | 120.9° | 120.1° |
| C43 | C44 | C45 | H43 | 120.8° | 120.0° |
| C43 | C44 | C45 | N46 | 147.8° | 180.0° |
| C43 | C44 | C45 | O32 | 32.7° | 0.0° |
| C44 | C43 | C42 | H39 | 59.4° | 55.0° |
| C44 | C43 | H40 | H41 | 118.4° | 119.9° |
| C43 | C44 | H42 | H43 | 117.3° | 120.0° |
| C44 | C45 | N46 | O32 | 179.5° | 179.9° |
| C44 | C45 | N46 | C47 | 180.0° | 180.0° |
| C45 | C44 | C43 | H40 | 44.7° | 60.0° |
| C45 | C44 | C43 | H41 | 74.2° | 60.0° |
| C45 | C44 | H42 | H43 | 117.4° | 119.9° |
| C44 | C45 | N46 | H44 | 0.0° | 0.2° |
| C45 | N46 | C47 | H44 | 180.0° | 179.8° |
| C45 | N46 | C47 | C48 | 149.4° | 155.1° |
| C45 | N46 | C47 | C31 | 85.9° | 84.9° |
| N46 | C45 | C44 | H42 | 26.9° | 59.9° |
| N46 | C45 | C44 | H43 | 91.4° | 60.1° |
| C45 | N46 | C47 | H45 | 32.0° | 35.1° |
| C47 | N46 | C45 | O32 | 0.4° | 0.1° |
| N46 | C47 | C31 | O30 | 19.6° | 0.0° |
| N46 | C47 | C48 | C49 | 61.2° | 64.9° |
| N46 | C47 | C48 | C31 | 123.7° | 120.0° |
| N46 | C47 | C48 | H45 | 118.1° | 120.0° |
| N46 | C47 | C31 | H45 | 118.6° | 120.0° |
| N46 | C47 | C31 | N29 | 160.6° | 180.0° |
| N46 | C47 | C48 | H46 | 178.3° | 55.0° |
| N46 | C47 | C48 | H47 | 59.3° | 175.0° |
| O32 | C45 | C44 | H42 | 153.6° | 120.0° |
| O32 | C45 | C44 | H43 | 88.1° | 120.0° |
| O32 | C45 | N46 | H44 | 179.6° | 179.9° |
| O30 | C31 | C47 | C48 | 103.5° | 120.0° |
| O30 | C31 | C47 | N29 | 179.8° | 180.0° |
| O30 | C31 | N29 | C28 | 0.1° | 0.0° |
| O30 | C31 | N29 | H28 | 179.9° | 180.0° |
| O30 | C31 | C47 | H45 | 138.3° | 120.0° |
| C48 | C49 | C23 | H48 | 120.6° | 120.0° |
| C48 | C49 | C23 | H49 | 120.6° | 119.9° |
| C49 | C48 | C47 | H46 | 120.5° | 120.0° |
| C49 | C48 | C47 | H47 | 120.5° | 120.0° |
| C48 | C49 | C23 | C01 | 85.4° | 179.9° |
| C49 | C48 | C47 | C31 | 175.1° | 175.1° |
| C48 | C49 | C23 | H25 | 154.1° | 60.0° |
| C48 | C49 | C23 | H26 | 35.2° | 60.0° |
| C49 | C48 | C47 | H45 | 56.9° | 55.0° |
| C49 | C48 | H46 | H47 | 118.5° | 120.0° |
| C48 | C49 | H48 | H49 | 118.1° | 119.9° |
| C23 | C49 | C48 | C47 | 170.7° | 180.0° |
| C49 | C23 | C01 | H25 | 120.6° | 120.0° |
| C49 | C23 | C01 | H26 | 120.5° | 120.0° |
| C49 | C23 | C01 | N02 | 72.0° | 180.0° |
| C49 | C23 | C01 | H8 | 167.8° | 60.0° |
| C49 | C23 | C01 | H9 | 48.2° | 60.0° |
| C49 | C23 | H25 | H26 | 118.4° | 120.0° |
| C23 | C49 | C48 | H46 | 50.2° | 60.0° |
| C23 | C49 | C48 | H47 | 68.8° | 60.0° |
| C23 | C49 | H48 | H49 | 118.1° | 120.0° |
| C48 | C47 | C31 | H45 | 118.2° | 120.0° |
| C48 | C47 | C31 | N29 | 76.2° | 60.0° |
| C48 | C47 | N46 | H44 | 30.7° | 25.1° |
| C47 | C48 | H46 | H47 | 118.5° | 120.0° |
| C47 | C48 | C49 | H48 | 50.1° | 59.9° |
| C47 | C48 | C49 | H49 | 68.6° | 60.0° |
| C23 | C01 | N02 | H8 | 120.2° | 120.0° |
| C23 | C01 | N02 | H9 | 120.3° | 120.0° |
| C23 | C01 | N02 | C03 | 119.0° | 179.9° |
| C23 | C01 | H8 | H9 | 119.3° | 120.0° |
| C23 | C01 | N02 | H10 | 61.0° | 0.0° |
| C01 | C23 | H25 | H26 | 118.3° | 120.0° |
| C01 | C23 | C49 | H48 | 35.3° | 60.0° |
| C01 | C23 | C49 | H49 | 154.0° | 60.0° |
| C47 | C31 | N29 | C28 | 179.8° | 180.0° |
| C47 | C31 | N29 | H28 | 0.2° | 0.0° |
| C31 | C47 | N46 | H44 | 94.1° | 94.9° |
| C31 | C47 | C48 | H46 | 54.6° | 65.0° |
| C31 | C47 | C48 | H47 | 64.4° | 55.0° |
| C31 | N29 | C28 | H28 | 180.0° | 180.0° |
| C31 | N29 | C28 | C27 | 86.2° | 155.0° |
| C31 | N29 | C28 | C24 | 147.9° | 85.0° |
| C31 | N29 | C28 | H7 | 30.9° | 35.0° |
| N29 | C31 | C47 | H45 | 42.0° | 60.0° |
| C01 | N02 | C03 | H10 | 180.0° | 179.9° |
| C01 | N02 | C03 | O22 | 0.0° | 0.0° |
| C01 | N02 | C03 | C04 | 179.9° | 180.0° |
| N02 | C01 | H8 | H9 | 119.2° | 120.0° |
| N02 | C01 | C23 | H25 | 48.6° | 60.0° |
| N02 | C01 | C23 | H26 | 167.5° | 60.0° |
| N29 | C28 | C27 | O26 | 141.3° | 0.1° |
| N29 | C28 | C27 | C24 | 124.9° | 120.0° |
| N29 | C28 | C27 | H7 | 117.7° | 120.0° |
| N29 | C28 | C24 | H7 | 117.6° | 120.1° |
| N29 | C28 | C27 | O25 | 38.4° | 180.0° |
| N29 | C28 | C24 | H4 | 180.0° | 180.0° |
| N29 | C28 | C24 | H5 | 60.0° | 60.0° |
| N29 | C28 | C24 | H6 | 60.0° | 60.1° |
| O26 | C27 | C28 | O25 | 179.7° | 179.9° |
| O26 | C27 | C28 | C24 | 93.8° | 120.0° |
| O26 | C27 | C28 | H7 | 23.5° | 120.0° |
| O26 | C27 | O25 | H27 | 0.0° | 0.0° |
| C27 | C28 | C24 | H7 | 117.3° | 120.0° |
| C27 | C28 | C24 | H4 | 55.0° | 60.0° |
| C27 | C28 | C24 | H5 | 65.0° | 60.0° |
| C27 | C28 | C24 | H6 | 175.0° | 180.0° |
| C28 | C27 | O25 | H27 | 179.7° | 180.0° |
| C27 | C28 | N29 | H28 | 93.8° | 25.0° |
| C24 | C28 | C27 | O25 | 86.5° | 60.0° |
| C28 | C24 | H4 | H5 | 120.0° | 120.0° |
| C28 | C24 | H4 | H6 | 120.0° | 120.0° |
| C28 | C24 | H5 | H6 | 120.0° | 120.1° |
| C24 | C28 | N29 | H28 | 32.1° | 95.0° |
| O25 | C27 | C28 | H7 | 156.1° | 60.0° |
| N02 | C03 | O22 | C04 | 180.0° | 180.0° |
| N02 | C03 | C04 | N05 | 178.5° | 179.9° |
| C03 | N02 | C01 | H8 | 120.8° | 60.0° |
| C03 | N02 | C01 | H9 | 1.3° | 60.0° |
| N02 | C03 | C04 | H11 | 61.3° | 60.0° |
| N02 | C03 | C04 | H12 | 58.3° | 60.0° |
| O22 | C03 | C04 | N05 | 1.5° | 0.0° |
| O22 | C03 | N02 | H10 | 180.0° | 179.9° |
| O22 | C03 | C04 | H11 | 118.7° | 120.0° |
| O22 | C03 | C04 | H12 | 121.6° | 120.0° |
| C03 | C04 | N05 | H11 | 120.2° | 120.0° |
| C03 | C04 | N05 | H12 | 120.2° | 119.9° |
| C03 | C04 | N05 | C06 | 175.1° | 180.0° |
| C04 | C03 | N02 | H10 | 0.1° | 0.1° |
| C03 | C04 | H11 | H12 | 119.5° | 119.9° |
| C03 | C04 | N05 | H13 | 4.9° | 0.0° |
| C04 | N05 | C06 | H13 | 180.0° | 180.0° |
| C04 | N05 | C06 | O07 | 0.0° | 0.0° |
| C04 | N05 | C06 | C08 | 179.7° | 180.0° |
| N05 | C04 | H11 | H12 | 119.5° | 120.0° |
| N05 | C06 | O07 | C08 | 179.7° | 180.0° |
| N05 | C06 | C08 | N09 | 155.6° | 180.0° |
| C06 | N05 | C04 | H11 | 64.7° | 60.0° |
| C06 | N05 | C04 | H12 | 54.9° | 60.0° |
| N05 | C06 | C08 | H14 | 35.2° | 60.1° |
| N05 | C06 | C08 | H15 | 84.1° | 60.0° |
| O07 | C06 | C08 | N09 | 24.8° | 0.0° |
| O07 | C06 | N05 | H13 | 180.0° | 180.0° |
| O07 | C06 | C08 | H14 | 145.1° | 120.0° |
| O07 | C06 | C08 | H15 | 95.5° | 120.0° |
| C06 | C08 | N09 | H14 | 120.3° | 120.0° |
| C06 | C08 | N09 | H15 | 120.3° | 120.0° |
| C06 | C08 | N09 | C10 | 95.5° | 180.0° |
| C08 | C06 | N05 | H13 | 0.3° | 0.1° |
| C06 | C08 | H14 | H15 | 119.1° | 120.1° |
| C06 | C08 | N09 | H16 | 84.5° | 0.0° |
| C08 | N09 | C10 | O21 | 0.0° | 0.3° |
| C08 | N09 | C10 | H16 | 180.0° | 180.0° |
| C08 | N09 | C10 | C11 | 179.9° | 180.0° |
| N09 | C08 | H14 | H15 | 119.1° | 119.9° |
| O21 | C10 | N09 | C11 | 179.9° | 179.7° |
| O21 | C10 | C11 | N12 | 1.9° | 0.3° |
| O21 | C10 | N09 | H16 | 180.0° | 179.7° |
| O21 | C10 | C11 | H17 | 118.3° | 120.3° |
| O21 | C10 | C11 | H18 | 122.0° | 119.7° |
| O20 | C13 | C14 | N12 | 179.6° | 179.9° |
| O20 | C13 | C14 | N15 | 175.9° | 0.0° |
| O20 | C13 | N12 | C11 | 0.2° | 0.1° |
| O20 | C13 | N12 | H1 | 179.8° | 180.0° |
| O20 | C13 | C14 | H19 | 64.0° | 120.0° |
| O20 | C13 | C14 | H20 | 55.7° | 120.0° |
| N09 | C10 | C11 | N12 | 178.2° | 180.0° |
| C10 | N09 | C08 | H14 | 144.2° | 60.0° |
| C10 | N09 | C08 | H15 | 24.8° | 60.0° |
| N09 | C10 | C11 | H17 | 61.6° | 60.1° |
| N09 | C10 | C11 | H18 | 58.0° | 60.0° |
| C10 | C11 | N12 | C13 | 80.3° | 180.0° |
| C10 | C11 | N12 | H17 | 120.2° | 120.0° |
| C10 | C11 | N12 | H18 | 120.2° | 120.0° |
| C10 | C11 | N12 | H1 | 99.7° | 0.0° |
| C11 | C10 | N09 | H16 | 0.1° | 0.0° |
| C10 | C11 | H17 | H18 | 119.4° | 120.1° |
| O19 | C16 | N15 | C14 | 0.5° | 0.1° |
| O19 | C16 | N15 | C17 | 179.9° | 179.9° |
| O19 | C16 | C17 | N18 | 11.5° | 0.0° |
| O19 | C16 | C17 | H2 | 132.0° | 120.0° |
| O19 | C16 | C17 | H3 | 109.1° | 120.0° |
| O19 | C16 | N15 | H21 | 179.6° | 180.0° |
| C13 | C14 | N15 | H19 | 120.2° | 120.0° |
| C13 | C14 | N15 | H20 | 120.2° | 120.1° |
| C14 | C13 | N12 | C11 | 179.4° | 180.0° |
| C13 | C14 | N15 | C16 | 88.4° | 179.9° |
| C14 | C13 | N12 | H1 | 0.6° | 0.0° |
| C13 | C14 | H19 | H20 | 119.5° | 120.0° |
| C13 | C14 | N15 | H21 | 91.6° | 0.0° |
| N12 | C13 | C14 | N15 | 4.5° | 180.0° |
| C13 | N12 | C11 | H1 | 180.0° | 180.0° |
| C13 | N12 | C11 | H17 | 39.9° | 60.1° |
| C13 | N12 | C11 | H18 | 159.5° | 60.0° |
| N12 | C13 | C14 | H19 | 115.6° | 60.0° |
| N12 | C13 | C14 | H20 | 124.7° | 59.9° |
| C14 | N15 | C16 | H21 | 180.0° | 180.0° |
| C14 | N15 | C16 | C17 | 179.4° | 180.0° |
| N15 | C14 | H19 | H20 | 119.4° | 120.0° |
| N12 | C11 | H17 | H18 | 119.4° | 120.0° |
| N15 | C16 | C17 | N18 | 168.6° | 180.0° |
| N15 | C16 | C17 | H2 | 48.1° | 60.0° |
| N15 | C16 | C17 | H3 | 70.8° | 60.0° |
| C16 | N15 | C14 | H19 | 31.8° | 60.0° |
| C16 | N15 | C14 | H20 | 151.4° | 60.0° |
| C16 | C17 | N18 | H2 | 120.6° | 120.0° |
| C16 | C17 | N18 | H3 | 120.6° | 120.0° |
| C16 | C17 | H2 | H3 | 118.3° | 119.9° |
| C17 | C16 | N15 | H21 | 0.6° | 0.0° |
| C16 | C17 | N18 | H22 | 180.0° | 179.9° |
| C16 | C17 | N18 | H24 | 60.0° | 56.0° |
| N18 | C17 | H2 | H3 | 118.2° | 120.0° |
| C17 | N18 | H22 | H24 | 120.0° | 124.0° |
| H1 | N12 | C11 | H17 | 140.2° | 120.0° |
| H1 | N12 | C11 | H18 | 20.5° | 120.0° |
| H2 | C17 | N18 | H22 | 59.5° | 59.9° |
| H2 | C17 | N18 | H24 | 179.4° | 176.1° |
| H3 | C17 | N18 | H22 | 59.4° | 60.1° |
| H3 | C17 | N18 | H24 | 60.6° | 63.9° |
| H4 | C24 | H5 | H6 | 120.0° | 119.9° |
| H4 | C24 | C28 | H7 | 62.4° | 60.0° |
| H5 | C24 | C28 | H7 | 177.6° | 179.9° |
| H6 | C24 | C28 | H7 | 57.7° | 60.0° |
| H7 | C28 | N29 | H28 | 149.1° | 145.0° |
| H8 | C01 | N02 | H10 | 59.2° | 119.9° |
| H8 | C01 | C23 | H25 | 71.7° | 180.0° |
| H8 | C01 | C23 | H26 | 47.2° | 60.0° |
| H9 | C01 | N02 | H10 | 178.7° | 120.1° |
| H9 | C01 | C23 | H25 | 168.8° | 60.0° |
| H9 | C01 | C23 | H26 | 72.3° | 180.0° |
| H11 | C04 | N05 | H13 | 115.3° | 120.0° |
| H12 | C04 | N05 | H13 | 125.1° | 119.9° |
| H14 | C08 | N09 | H16 | 35.8° | 120.0° |
| H15 | C08 | N09 | H16 | 155.2° | 120.0° |
| H19 | C14 | N15 | H21 | 148.2° | 120.0° |
| H20 | C14 | N15 | H21 | 28.6° | 120.0° |
| H25 | C23 | C49 | H48 | 85.3° | 180.0° |
| H25 | C23 | C49 | H49 | 33.5° | 60.0° |
| H26 | C23 | C49 | H48 | 155.8° | 60.0° |
| H26 | C23 | C49 | H49 | 85.5° | 179.9° |
| H31 | C37 | H32 | H33 | 120.0° | 120.0° |
| H31 | C37 | C39 | H37 | 63.1° | NaN° |
| H32 | C37 | C39 | H37 | 176.9° | 60.0° |
| H33 | C37 | C39 | H37 | 56.9° | 60.0° |
| H34 | N38 | C39 | H37 | 63.5° | 56.0° |
| H35 | N38 | C39 | H37 | 56.5° | 180.0° |
| H38 | N41 | C42 | H39 | 140.9° | 145.0° |
| H39 | C42 | C43 | H40 | 179.9° | 64.9° |
| H39 | C42 | C43 | H41 | 61.2° | 175.0° |
| H40 | C43 | C44 | H42 | 165.6° | 180.0° |
| H40 | C43 | C44 | H43 | 76.1° | 60.0° |
| H41 | C43 | C44 | H42 | 46.6° | 60.0° |
| H41 | C43 | C44 | H43 | 164.9° | 180.0° |
| H44 | N46 | C47 | H45 | 148.0° | 145.1° |
| H45 | C47 | C48 | H46 | 63.5° | 175.0° |
| H45 | C47 | C48 | H47 | 177.4° | 65.0° |
| H46 | C48 | C49 | H48 | 70.4° | 60.1° |
| H46 | C48 | C49 | H49 | 170.9° | 180.0° |
| H47 | C48 | C49 | H48 | 170.6° | 180.0° |
| H47 | C48 | C49 | H49 | 51.8° | 60.0° |
