FEB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.47Å | 1.47Å | |
| N1 | C11 | sing | 1.35Å | 1.36Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C5 | sing | 1.53Å | 1.56Å | |
| C3 | O4 | sing | 1.43Å | 1.40Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | C8 | sing | 1.53Å | 1.54Å | |
| N9 | C10 | sing | 1.46Å | 1.47Å | |
| N9 | C20 | sing | 1.35Å | 1.34Å | |
| C10 | C11 | sing | 1.51Å | 1.55Å | |
| C10 | C13 | sing | 1.53Å | 1.56Å | |
| C11 | O12 | doub | 1.21Å | 1.26Å | |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C14 | C15 | sing | 1.51Å | 1.53Å | |
| C15 | O16 | doub | 1.21Å | 1.23Å | |
| C15 | N17 | sing | 1.35Å | 1.30Å | |
| N18 | C19 | sing | 1.47Å | 1.49Å | |
| N18 | C38 | sing | 1.35Å | 1.35Å | |
| C19 | C20 | sing | 1.51Å | 1.54Å | |
| C19 | C22 | sing | 1.53Å | 1.56Å | |
| C20 | O21 | doub | 1.21Å | 1.25Å | |
| C22 | C23 | sing | 1.51Å | 1.54Å | |
| C23 | O24 | doub | 1.21Å | 1.23Å | |
| C23 | N25 | sing | 1.35Å | 1.31Å | |
| C26 | C27 | sing | 1.53Å | 1.53Å | |
| C26 | C29 | sing | 1.53Å | 1.54Å | |
| C27 | C36 | sing | 1.53Å | 1.54Å | |
| C27 | O37 | sing | 1.43Å | 1.43Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C28 | C35 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.53Å | 1.55Å | |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C36 | C38 | sing | 1.51Å | 1.52Å | |
| C38 | O49 | doub | 1.21Å | 1.24Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H7A | sing | 1.09Å | 1.10Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C8 | H8B | sing | 1.09Å | 1.10Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| N17 | HN17 | sing | 0.97Å | 1.00Å | |
| N17 | HN1A | sing | 0.97Å | 1.00Å | |
| N18 | HN18 | sing | 0.97Å | 1.00Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| N25 | HN25 | sing | 0.97Å | 1.00Å | |
| N25 | HN2A | sing | 0.97Å | 1.00Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| O37 | HO37 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C11 | 126.1° | 120.0° |
| N1 | C2 | C3 | 108.4° | 109.5° |
| N1 | C2 | C5 | 113.4° | 109.5° |
| C2 | N1 | HN1 | 116.9° | 120.0° |
| N1 | C2 | H2 | 107.5° | 109.5° |
| N1 | C11 | C10 | 114.1° | 120.0° |
| N1 | C11 | O12 | 124.0° | 120.0° |
| C11 | N1 | HN1 | 117.0° | 120.0° |
| C3 | C2 | C5 | 109.3° | 109.5° |
| C2 | C3 | O4 | 110.3° | 109.4° |
| C3 | C2 | H2 | 111.7° | 109.5° |
| C2 | C3 | H3 | 109.2° | 109.5° |
| C2 | C3 | H3A | 109.0° | 109.4° |
| C2 | C5 | C6 | 119.5° | 109.4° |
| C5 | C2 | H2 | 106.6° | 109.5° |
| C2 | C5 | H5 | 106.3° | 109.5° |
| C2 | C5 | H5A | 103.9° | 109.4° |
| O4 | C3 | H3 | 109.2° | 109.5° |
| O4 | C3 | H3A | 109.0° | 109.5° |
| C3 | O4 | HO4 | 109.5° | 113.9° |
| C5 | C6 | C7 | 109.3° | 109.4° |
| C5 | C6 | C8 | 112.9° | 109.5° |
| C6 | C5 | H5 | 106.3° | 109.5° |
| C6 | C5 | H5A | 103.9° | 109.5° |
| C5 | C6 | H6 | 106.6° | 109.5° |
| C7 | C6 | C8 | 107.6° | 109.5° |
| C7 | C6 | H6 | 112.0° | 109.5° |
| C6 | C7 | H7 | 109.5° | 109.5° |
| C6 | C7 | H7A | 109.5° | 109.4° |
| C6 | C7 | H7B | 109.5° | 109.4° |
| C8 | C6 | H6 | 108.4° | 109.5° |
| C6 | C8 | H8 | 109.5° | 109.5° |
| C6 | C8 | H8A | 109.5° | 109.5° |
| C6 | C8 | H8B | 109.4° | 109.4° |
| C10 | N9 | C20 | 124.7° | 120.1° |
| N9 | C10 | C11 | 111.2° | 109.5° |
| N9 | C10 | C13 | 108.0° | 109.5° |
| C10 | N9 | HN9 | 117.7° | 120.0° |
| N9 | C10 | H10 | 111.0° | 109.4° |
| N9 | C20 | C19 | 114.9° | 120.0° |
| N9 | C20 | O21 | 123.4° | 120.0° |
| C20 | N9 | HN9 | 117.7° | 120.0° |
| C11 | C10 | C13 | 113.9° | 109.5° |
| C10 | C11 | O12 | 121.9° | 120.0° |
| C11 | C10 | H10 | 104.7° | 109.5° |
| C10 | C13 | C14 | 116.1° | 109.5° |
| C13 | C10 | H10 | 108.1° | 109.5° |
| C10 | C13 | H13 | 107.3° | 109.5° |
| C10 | C13 | H13A | 105.8° | 109.5° |
| C13 | C14 | C15 | 114.7° | 109.5° |
| C14 | C13 | H13 | 107.3° | 109.4° |
| C14 | C13 | H13A | 105.8° | 109.5° |
| C13 | C14 | H14 | 107.8° | 109.5° |
| C13 | C14 | H14A | 106.6° | 109.5° |
| C14 | C15 | O16 | 121.7° | 120.0° |
| C14 | C15 | N17 | 119.5° | 120.0° |
| C15 | C14 | H14 | 107.7° | 109.5° |
| C15 | C14 | H14A | 106.6° | 109.5° |
| O16 | C15 | N17 | 118.8° | 120.0° |
| C15 | N17 | HN17 | 109.8° | 120.0° |
| C15 | N17 | HN1A | 125.1° | 120.0° |
| C19 | N18 | C38 | 122.5° | 120.0° |
| N18 | C19 | C20 | 111.1° | 109.4° |
| N18 | C19 | C22 | 110.5° | 109.5° |
| C19 | N18 | HN18 | 118.8° | 120.1° |
| N18 | C19 | H19 | 109.2° | 109.5° |
| N18 | C38 | C36 | 115.1° | 120.0° |
| N18 | C38 | O49 | 123.8° | 120.0° |
| C38 | N18 | HN18 | 118.7° | 120.0° |
| C20 | C19 | C22 | 113.7° | 109.5° |
| C19 | C20 | O21 | 121.7° | 120.0° |
| C20 | C19 | H19 | 105.7° | 109.5° |
| C19 | C22 | C23 | 116.3° | 109.5° |
| C22 | C19 | H19 | 106.4° | 109.5° |
| C19 | C22 | H22 | 107.3° | 109.4° |
| C19 | C22 | H22A | 105.7° | 109.5° |
| C22 | C23 | O24 | 122.4° | 120.0° |
| C22 | C23 | N25 | 118.7° | 120.0° |
| C23 | C22 | H22 | 107.3° | 109.5° |
| C23 | C22 | H22A | 105.7° | 109.5° |
| O24 | C23 | N25 | 118.9° | 120.0° |
| C23 | N25 | HN25 | 109.8° | 120.0° |
| C23 | N25 | HN2A | 125.1° | 120.0° |
| C27 | C26 | C29 | 117.6° | 109.5° |
| C26 | C27 | C36 | 112.2° | 109.4° |
| C26 | C27 | O37 | 108.6° | 109.5° |
| C27 | C26 | H26 | 106.8° | 109.5° |
| C27 | C26 | H26A | 104.9° | 109.5° |
| C26 | C27 | H27 | 108.1° | 109.5° |
| C26 | C29 | C28 | 113.5° | 109.5° |
| C29 | C26 | H26 | 106.8° | 109.4° |
| C29 | C26 | H26A | 104.9° | 109.5° |
| C26 | C29 | H29 | 108.1° | 109.5° |
| C26 | C29 | H29A | 107.3° | 109.5° |
| C36 | C27 | O37 | 109.3° | 109.5° |
| C27 | C36 | C38 | 116.7° | 109.5° |
| C36 | C27 | H27 | 107.5° | 109.5° |
| C27 | C36 | H36 | 107.1° | 109.5° |
| C27 | C36 | H36A | 105.4° | 109.5° |
| O37 | C27 | H27 | 111.1° | 109.5° |
| C27 | O37 | HO37 | 109.5° | 114.0° |
| C29 | C28 | C35 | 113.4° | 109.5° |
| C29 | C28 | H28 | 108.2° | 109.5° |
| C29 | C28 | H28A | 107.3° | 109.5° |
| C28 | C29 | H29 | 108.1° | 109.4° |
| C28 | C29 | H29A | 107.2° | 109.5° |
| C28 | C35 | C34 | 113.7° | 109.5° |
| C35 | C28 | H28 | 108.2° | 109.4° |
| C35 | C28 | H28A | 107.3° | 109.5° |
| C28 | C35 | H35 | 108.1° | 109.5° |
| C28 | C35 | H35A | 107.1° | 109.5° |
| C30 | C31 | C32 | 112.9° | 109.5° |
| C31 | C30 | H30 | 109.5° | 109.5° |
| C31 | C30 | H30A | 109.5° | 109.5° |
| C31 | C30 | H30B | 109.5° | 109.5° |
| C30 | C31 | H31 | 108.4° | 109.5° |
| C30 | C31 | H31A | 107.6° | 109.5° |
| C31 | C32 | C33 | 113.8° | 109.5° |
| C32 | C31 | H31 | 108.4° | 109.5° |
| C32 | C31 | H31A | 107.6° | 109.4° |
| C31 | C32 | H32 | 108.0° | 109.5° |
| C31 | C32 | H32A | 107.1° | 109.5° |
| C32 | C33 | C34 | 115.1° | 109.5° |
| C33 | C32 | H32 | 108.0° | 109.4° |
| C33 | C32 | H32A | 107.0° | 109.4° |
| C32 | C33 | H33 | 107.6° | 109.5° |
| C32 | C33 | H33A | 106.4° | 109.5° |
| C33 | C34 | C35 | 113.2° | 109.5° |
| C34 | C33 | H33 | 107.7° | 109.5° |
| C34 | C33 | H33A | 106.3° | 109.4° |
| C33 | C34 | H34 | 108.2° | 109.5° |
| C33 | C34 | H34A | 107.4° | 109.5° |
| C35 | C34 | H34 | 108.3° | 109.5° |
| C35 | C34 | H34A | 107.4° | 109.4° |
| C34 | C35 | H35 | 108.1° | 109.4° |
| C34 | C35 | H35A | 107.1° | 109.5° |
| C36 | C38 | O49 | 121.1° | 120.0° |
| C38 | C36 | H36 | 107.1° | 109.4° |
| C38 | C36 | H36A | 105.4° | 109.4° |
| H3 | C3 | H3A | 110.1° | 109.5° |
| H5 | C5 | H5A | 117.7° | 109.5° |
| H7 | C7 | H7A | 109.5° | 109.5° |
| H7 | C7 | H7B | 109.4° | 109.5° |
| H7A | C7 | H7B | 109.5° | 109.5° |
| H8 | C8 | H8A | 109.5° | 109.5° |
| H8 | C8 | H8B | 109.5° | 109.5° |
| H8A | C8 | H8B | 109.5° | 109.5° |
| H13 | C13 | H13A | 114.8° | 109.5° |
| H14 | C14 | H14A | 113.7° | 109.4° |
| HN17 | N17 | HN1A | 125.1° | 120.0° |
| H22 | C22 | H22A | 115.0° | 109.5° |
| HN25 | N25 | HN2A | 125.1° | 120.0° |
| H26 | C26 | H26A | 116.1° | 109.5° |
| H28 | C28 | H28A | 112.6° | 109.5° |
| H29 | C29 | H29A | 112.7° | 109.5° |
| H30 | C30 | H30A | 109.5° | 109.5° |
| H30 | C30 | H30B | 109.4° | 109.5° |
| H30A | C30 | H30B | 109.5° | 109.4° |
| H31 | C31 | H31A | 112.2° | 109.5° |
| H32 | C32 | H32A | 113.0° | 109.5° |
| H33 | C33 | H33A | 114.0° | 109.5° |
| H34 | C34 | H34A | 112.4° | 109.5° |
| H35 | C35 | H35A | 112.8° | 109.5° |
| H36 | C36 | H36A | 115.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C11 | HN1 | 180.0° | 179.7° |
| N1 | C2 | C3 | C5 | 124.1° | 120.0° |
| N1 | C2 | C3 | H2 | 118.2° | 120.0° |
| N1 | C2 | C5 | H2 | 118.0° | 120.0° |
| N1 | C2 | C3 | O4 | 48.6° | 65.0° |
| N1 | C2 | C5 | C6 | 60.8° | 65.0° |
| C2 | N1 | C11 | C10 | 178.1° | 180.0° |
| C2 | N1 | C11 | O12 | 3.5° | 0.0° |
| N1 | C2 | C3 | H3 | 168.6° | 55.0° |
| N1 | C2 | C3 | H3A | 71.0° | 175.0° |
| N1 | C2 | C5 | H5 | 59.2° | 55.0° |
| N1 | C2 | C5 | H5A | 176.0° | 175.0° |
| C11 | N1 | C2 | C3 | 104.8° | 85.0° |
| C11 | N1 | C2 | C5 | 133.6° | 155.0° |
| N1 | C11 | C10 | N9 | 134.9° | 180.0° |
| N1 | C11 | C10 | O12 | 178.4° | 179.9° |
| N1 | C11 | C10 | C13 | 102.9° | 60.0° |
| C11 | N1 | C2 | H2 | 16.0° | 35.0° |
| N1 | C11 | C10 | H10 | 15.0° | 60.0° |
| C3 | C2 | C5 | H2 | 120.9° | 120.0° |
| C2 | C3 | O4 | H3 | 120.0° | 120.0° |
| C2 | C3 | O4 | H3A | 119.6° | 120.0° |
| C3 | C2 | C5 | C6 | 178.1° | 175.0° |
| C3 | C2 | N1 | HN1 | 75.2° | 94.7° |
| C2 | C3 | H3 | H3A | 119.6° | 120.0° |
| C2 | C3 | O4 | HO4 | 174.9° | 180.0° |
| C3 | C2 | C5 | H5 | 61.9° | 65.0° |
| C3 | C2 | C5 | H5A | 62.9° | 55.0° |
| C5 | C2 | C3 | O4 | 172.7° | 54.9° |
| C2 | C5 | C6 | H5 | 120.0° | 120.0° |
| C2 | C5 | C6 | H5A | 115.2° | 119.9° |
| C2 | C5 | C6 | C7 | 179.0° | 175.0° |
| C2 | C5 | C6 | C8 | 59.2° | 65.0° |
| C5 | C2 | N1 | HN1 | 46.4° | 25.3° |
| C5 | C2 | C3 | H3 | 67.3° | 175.0° |
| C5 | C2 | C3 | H3A | 53.0° | 65.0° |
| C2 | C5 | H5 | H5A | 115.9° | 120.0° |
| C2 | C5 | C6 | H6 | 59.7° | 55.0° |
| O4 | C3 | C2 | H2 | 69.6° | 175.0° |
| O4 | C3 | H3 | H3A | 119.7° | 120.0° |
| C5 | C6 | C7 | C8 | 123.0° | 120.0° |
| C5 | C6 | C7 | H6 | 118.0° | 120.0° |
| C5 | C6 | C8 | H6 | 117.9° | 120.1° |
| C6 | C5 | C2 | H2 | 57.2° | 55.0° |
| C6 | C5 | H5 | H5A | 115.9° | 120.0° |
| C5 | C6 | C7 | H7 | 171.0° | 60.0° |
| C5 | C6 | C7 | H7A | 51.0° | 180.0° |
| C5 | C6 | C7 | H7B | 69.0° | 60.0° |
| C5 | C6 | C8 | H8 | 49.9° | 60.0° |
| C5 | C6 | C8 | H8A | 70.1° | 60.1° |
| C5 | C6 | C8 | H8B | 169.9° | 180.0° |
| C7 | C6 | C8 | H6 | 121.4° | 120.0° |
| C7 | C6 | C5 | H5 | 61.0° | 55.0° |
| C7 | C6 | C5 | H5A | 63.8° | 65.0° |
| C6 | C7 | H7 | H7A | 120.0° | 119.9° |
| C6 | C7 | H7 | H7B | 120.0° | 120.0° |
| C6 | C7 | H7A | H7B | 120.0° | 119.9° |
| C7 | C6 | C8 | H8 | 70.9° | 60.0° |
| C7 | C6 | C8 | H8A | 169.1° | 180.0° |
| C7 | C6 | C8 | H8B | 49.1° | 60.0° |
| C8 | C6 | C5 | H5 | 179.2° | 175.0° |
| C8 | C6 | C5 | H5A | 56.0° | 54.9° |
| C8 | C6 | C7 | H7 | 66.0° | 59.9° |
| C8 | C6 | C7 | H7A | 173.9° | 60.0° |
| C8 | C6 | C7 | H7B | 54.0° | 180.0° |
| C6 | C8 | H8 | H8A | 120.0° | 120.0° |
| C6 | C8 | H8 | H8B | 120.0° | 120.0° |
| C6 | C8 | H8A | H8B | 120.0° | 120.0° |
| C10 | N9 | C20 | HN9 | 180.0° | 180.0° |
| N9 | C10 | C11 | C13 | 122.2° | 120.1° |
| N9 | C10 | C11 | H10 | 119.9° | 119.9° |
| N9 | C10 | C13 | H10 | 120.1° | 119.9° |
| N9 | C10 | C11 | O12 | 43.5° | 0.1° |
| N9 | C10 | C13 | C14 | 68.5° | 64.9° |
| C10 | N9 | C20 | C19 | 174.0° | 180.0° |
| C10 | N9 | C20 | O21 | 7.2° | 0.0° |
| N9 | C10 | C13 | H13 | 51.5° | 55.0° |
| N9 | C10 | C13 | H13A | 174.5° | 175.0° |
| C20 | N9 | C10 | C11 | 99.3° | 155.0° |
| C20 | N9 | C10 | C13 | 135.1° | 84.9° |
| N9 | C20 | C19 | N18 | 138.1° | 180.0° |
| N9 | C20 | C19 | O21 | 178.8° | 180.0° |
| N9 | C20 | C19 | C22 | 96.5° | 60.0° |
| C20 | N9 | C10 | H10 | 16.7° | 35.0° |
| N9 | C20 | C19 | H19 | 19.8° | 60.0° |
| C11 | C10 | C13 | H10 | 115.9° | 120.0° |
| C11 | C10 | C13 | C14 | 167.5° | 175.0° |
| C10 | C11 | N1 | HN1 | 1.9° | 0.3° |
| C11 | C10 | N9 | HN9 | 80.7° | 25.0° |
| C11 | C10 | C13 | H13 | 72.5° | 65.1° |
| C11 | C10 | C13 | H13A | 50.5° | 55.0° |
| C13 | C10 | C11 | O12 | 78.7° | 120.0° |
| C10 | C13 | C14 | H13 | 120.0° | 120.0° |
| C10 | C13 | C14 | H13A | 117.0° | 120.0° |
| C10 | C13 | C14 | C15 | 46.5° | 180.0° |
| C13 | C10 | N9 | HN9 | 44.9° | 95.0° |
| C10 | C13 | H13 | H13A | 117.3° | 120.0° |
| C10 | C13 | C14 | H14 | 73.5° | 60.0° |
| C10 | C13 | C14 | H14A | 164.1° | 60.0° |
| O12 | C11 | N1 | HN1 | 176.5° | 179.7° |
| O12 | C11 | C10 | H10 | 163.4° | 120.0° |
| C13 | C14 | C15 | H14 | 120.0° | 120.0° |
| C13 | C14 | C15 | H14A | 117.6° | 120.0° |
| C13 | C14 | C15 | O16 | 73.2° | 0.0° |
| C13 | C14 | C15 | N17 | 106.9° | 180.0° |
| C14 | C13 | C10 | H10 | 51.6° | 55.0° |
| C14 | C13 | H13 | H13A | 117.3° | 120.0° |
| C13 | C14 | H14 | H14A | 117.9° | 120.0° |
| C14 | C15 | O16 | N17 | 179.9° | 180.0° |
| C15 | C14 | C13 | H13 | 166.4° | 60.0° |
| C15 | C14 | C13 | H13A | 70.5° | 60.0° |
| C15 | C14 | H14 | H14A | 117.9° | 120.0° |
| C14 | C15 | N17 | HN17 | 0.1° | 0.0° |
| C14 | C15 | N17 | HN1A | 180.0° | 180.0° |
| O16 | C15 | C14 | H14 | 166.8° | 120.0° |
| O16 | C15 | C14 | H14A | 44.4° | 120.0° |
| O16 | C15 | N17 | HN17 | 180.0° | 180.0° |
| O16 | C15 | N17 | HN1A | 0.0° | 0.0° |
| N17 | C15 | C14 | H14 | 13.1° | 60.0° |
| N17 | C15 | C14 | H14A | 135.5° | 60.0° |
| C15 | N17 | HN17 | HN1A | 180.0° | 179.9° |
| C19 | N18 | C38 | HN18 | 180.0° | 179.9° |
| N18 | C19 | C20 | C22 | 125.4° | 120.0° |
| N18 | C19 | C20 | H19 | 118.3° | 120.0° |
| N18 | C19 | C22 | H19 | 118.4° | 120.0° |
| N18 | C19 | C20 | O21 | 40.7° | 0.0° |
| N18 | C19 | C22 | C23 | 54.5° | 58.9° |
| C19 | N18 | C38 | C36 | 172.2° | 175.3° |
| C19 | N18 | C38 | O49 | 7.6° | 4.7° |
| N18 | C19 | C22 | H22 | 65.5° | 178.9° |
| N18 | C19 | C22 | H22A | 171.4° | 61.1° |
| C38 | N18 | C19 | C20 | 60.7° | 157.1° |
| C38 | N18 | C19 | C22 | 172.2° | 82.9° |
| N18 | C38 | C36 | C27 | 174.4° | 180.0° |
| N18 | C38 | C36 | O49 | 179.8° | 180.0° |
| C38 | N18 | C19 | H19 | 55.5° | 37.1° |
| N18 | C38 | C36 | H36 | 65.6° | 60.0° |
| N18 | C38 | C36 | H36A | 57.7° | 60.0° |
| C20 | C19 | C22 | H19 | 115.9° | 120.0° |
| C20 | C19 | C22 | C23 | 179.9° | 61.1° |
| C19 | C20 | N9 | HN9 | 6.1° | 0.0° |
| C20 | C19 | N18 | HN18 | 119.3° | 22.9° |
| C20 | C19 | C22 | H22 | 60.1° | 58.9° |
| C20 | C19 | C22 | H22A | 63.0° | 178.9° |
| C22 | C19 | C20 | O21 | 84.7° | 120.0° |
| C19 | C22 | C23 | H22 | 120.0° | 120.0° |
| C19 | C22 | C23 | H22A | 116.9° | 120.0° |
| C19 | C22 | C23 | O24 | 9.6° | 5.7° |
| C19 | C22 | C23 | N25 | 169.9° | 174.3° |
| C22 | C19 | N18 | HN18 | 7.8° | 97.1° |
| C19 | C22 | H22 | H22A | 117.2° | 120.0° |
| O21 | C20 | N9 | HN9 | 172.7° | 180.0° |
| O21 | C20 | C19 | H19 | 159.0° | 120.0° |
| C22 | C23 | O24 | N25 | 179.6° | 180.0° |
| C23 | C22 | C19 | H19 | 63.9° | 178.9° |
| C23 | C22 | H22 | H22A | 117.2° | 120.0° |
| C22 | C23 | N25 | HN25 | 0.2° | 0.0° |
| C22 | C23 | N25 | HN2A | 179.8° | 180.0° |
| O24 | C23 | C22 | H22 | 129.7° | 125.6° |
| O24 | C23 | C22 | H22A | 107.2° | 114.3° |
| O24 | C23 | N25 | HN25 | 179.8° | 180.0° |
| O24 | C23 | N25 | HN2A | 0.2° | 0.0° |
| N25 | C23 | C22 | H22 | 49.9° | 54.4° |
| N25 | C23 | C22 | H22A | 73.2° | 65.6° |
| C23 | N25 | HN25 | HN2A | 180.0° | 180.0° |
| C27 | C26 | C29 | H26 | 120.0° | 120.0° |
| C27 | C26 | C29 | H26A | 116.2° | 120.0° |
| C26 | C27 | C36 | O37 | 120.6° | 120.0° |
| C26 | C27 | C36 | H27 | 118.7° | 120.0° |
| C26 | C27 | O37 | H27 | 118.8° | 120.0° |
| C27 | C26 | C29 | C28 | 154.9° | 180.0° |
| C26 | C27 | C36 | C38 | 172.9° | 175.0° |
| C27 | C26 | H26 | H26A | 116.6° | 120.1° |
| C27 | C26 | C29 | H29 | 34.9° | 60.0° |
| C27 | C26 | C29 | H29A | 86.8° | 60.0° |
| C26 | C27 | C36 | H36 | 67.1° | 65.0° |
| C26 | C27 | C36 | H36A | 56.3° | 55.0° |
| C26 | C27 | O37 | HO37 | 137.8° | 60.0° |
| C29 | C26 | C27 | C36 | 175.2° | 175.0° |
| C29 | C26 | C27 | O37 | 63.9° | 65.0° |
| C26 | C29 | C28 | H29 | 120.0° | 120.0° |
| C26 | C29 | C28 | H29A | 118.3° | 120.0° |
| C26 | C29 | C28 | C35 | 165.4° | 180.0° |
| C29 | C26 | H26 | H26A | 116.6° | 120.0° |
| C29 | C26 | C27 | H27 | 56.8° | 55.0° |
| C26 | C29 | C28 | H28 | 45.4° | 60.0° |
| C26 | C29 | C28 | H28A | 76.3° | 60.0° |
| C26 | C29 | H29 | H29A | 118.4° | 120.1° |
| C36 | C27 | O37 | H27 | 118.4° | 120.0° |
| C27 | C36 | C38 | H36 | 120.0° | 120.0° |
| C27 | C36 | C38 | H36A | 116.6° | 120.0° |
| C27 | C36 | C38 | O49 | 5.4° | 0.0° |
| C36 | C27 | C26 | H26 | 55.2° | 55.1° |
| C36 | C27 | C26 | H26A | 68.6° | 65.0° |
| C27 | C36 | H36 | H36A | 117.0° | 120.1° |
| C36 | C27 | O37 | HO37 | 99.5° | 60.0° |
| O37 | C27 | C36 | C38 | 66.5° | 65.0° |
| O37 | C27 | C26 | H26 | 176.1° | 175.0° |
| O37 | C27 | C26 | H26A | 52.3° | 55.0° |
| O37 | C27 | C36 | H36 | 53.5° | 55.0° |
| O37 | C27 | C36 | H36A | 176.9° | 175.0° |
| C29 | C28 | C35 | H28 | 120.0° | 120.0° |
| C29 | C28 | C35 | H28A | 118.3° | 120.0° |
| C29 | C28 | C35 | C34 | 172.3° | 180.0° |
| C28 | C29 | C26 | H26 | 85.1° | 60.0° |
| C28 | C29 | C26 | H26A | 38.7° | 60.0° |
| C29 | C28 | H28 | H28A | 118.4° | 120.0° |
| C28 | C29 | H29 | H29A | 118.3° | 120.0° |
| C29 | C28 | C35 | H35 | 52.2° | 60.0° |
| C29 | C28 | C35 | H35A | 69.6° | 60.0° |
| C28 | C35 | C34 | C33 | 178.9° | 180.0° |
| C28 | C35 | C34 | H35 | 120.0° | 120.0° |
| C28 | C35 | C34 | H35A | 118.1° | 120.0° |
| C35 | C28 | H28 | H28A | 118.4° | 120.0° |
| C35 | C28 | C29 | H29 | 74.6° | 60.0° |
| C35 | C28 | C29 | H29A | 47.2° | 60.0° |
| C28 | C35 | C34 | H34 | 58.9° | 60.0° |
| C28 | C35 | C34 | H34A | 62.7° | 60.0° |
| C28 | C35 | H35 | H35A | 118.2° | 120.0° |
| C30 | C31 | C32 | H31 | 120.0° | 120.0° |
| C30 | C31 | C32 | H31A | 118.5° | 120.0° |
| C30 | C31 | C32 | C33 | 123.2° | 180.0° |
| C31 | C30 | H30 | H30A | 120.0° | 120.0° |
| C31 | C30 | H30 | H30B | 120.0° | 120.1° |
| C31 | C30 | H30A | H30B | 120.0° | 120.0° |
| C30 | C31 | H31 | H31A | 118.6° | 120.1° |
| C30 | C31 | C32 | H32 | 116.9° | 60.0° |
| C30 | C31 | C32 | H32A | 5.1° | 60.0° |
| C31 | C32 | C33 | H32 | 120.0° | 120.0° |
| C31 | C32 | C33 | H32A | 118.1° | 120.0° |
| C31 | C32 | C33 | C34 | 160.7° | 180.0° |
| C32 | C31 | C30 | H30 | 73.1° | 60.0° |
| C32 | C31 | C30 | H30A | 166.9° | 180.0° |
| C32 | C31 | C30 | H30B | 46.8° | 60.0° |
| C32 | C31 | H31 | H31A | 118.6° | 120.0° |
| C31 | C32 | H32 | H32A | 118.2° | 120.0° |
| C31 | C32 | C33 | H33 | 40.6° | 60.0° |
| C31 | C32 | C33 | H33A | 81.9° | 60.0° |
| C32 | C33 | C34 | H33 | 120.0° | 120.0° |
| C32 | C33 | C34 | H33A | 117.5° | 120.0° |
| C32 | C33 | C34 | C35 | 88.4° | 180.0° |
| C33 | C32 | C31 | H31 | 3.1° | 60.0° |
| C33 | C32 | C31 | H31A | 118.3° | 60.0° |
| C33 | C32 | H32 | H32A | 118.2° | 120.0° |
| C32 | C33 | H33 | H33A | 117.7° | 120.0° |
| C32 | C33 | C34 | H34 | 151.5° | 60.0° |
| C32 | C33 | C34 | H34A | 29.9° | 60.0° |
| C33 | C34 | C35 | H34 | 120.0° | 120.0° |
| C33 | C34 | C35 | H34A | 118.4° | 120.0° |
| C34 | C33 | C32 | H32 | 79.4° | 60.0° |
| C34 | C33 | C32 | H32A | 42.6° | 60.0° |
| C34 | C33 | H33 | H33A | 117.7° | 120.0° |
| C33 | C34 | H34 | H34A | 118.5° | 120.0° |
| C33 | C34 | C35 | H35 | 58.9° | 60.0° |
| C33 | C34 | C35 | H35A | 63.0° | 60.0° |
| C34 | C35 | C28 | H28 | 67.8° | 60.0° |
| C34 | C35 | C28 | H28A | 54.0° | 60.0° |
| C35 | C34 | C33 | H33 | 31.6° | 60.0° |
| C35 | C34 | C33 | H33A | 154.1° | 60.0° |
| C35 | C34 | H34 | H34A | 118.4° | 120.0° |
| C34 | C35 | H35 | H35A | 118.3° | 120.0° |
| C36 | C38 | N18 | HN18 | 7.8° | 4.6° |
| C38 | C36 | C27 | H27 | 54.2° | 55.0° |
| C38 | C36 | H36 | H36A | 117.0° | 119.9° |
| O49 | C38 | N18 | HN18 | 172.4° | 175.4° |
| O49 | C38 | C36 | H36 | 114.5° | 120.0° |
| O49 | C38 | C36 | H36A | 122.1° | 120.0° |
| HN1 | N1 | C2 | H2 | 164.0° | 145.3° |
| H2 | C2 | C3 | H3 | 50.4° | 65.0° |
| H2 | C2 | C3 | H3A | 170.7° | 55.0° |
| H2 | C2 | C5 | H5 | 177.2° | 175.0° |
| H2 | C2 | C5 | H5A | 57.9° | 65.0° |
| H3 | C3 | O4 | HO4 | 54.9° | 59.9° |
| H3A | C3 | O4 | HO4 | 65.5° | 60.1° |
| H5 | C5 | C6 | H6 | 60.3° | 65.0° |
| H5A | C5 | C6 | H6 | 174.9° | 175.0° |
| H6 | C6 | C7 | H7 | 53.1° | 179.9° |
| H6 | C6 | C7 | H7A | 67.0° | 60.0° |
| H6 | C6 | C7 | H7B | 173.0° | 60.0° |
| H6 | C6 | C8 | H8 | 167.8° | 179.9° |
| H6 | C6 | C8 | H8A | 47.8° | 60.0° |
| H6 | C6 | C8 | H8B | 72.2° | 60.0° |
| H7 | C7 | H7A | H7B | 120.0° | 120.1° |
| H8 | C8 | H8A | H8B | 120.0° | 120.0° |
| HN9 | N9 | C10 | H10 | 163.2° | 145.0° |
| H10 | C10 | C13 | H13 | 171.6° | 174.9° |
| H10 | C10 | C13 | H13A | 65.3° | 65.0° |
| H13 | C13 | C14 | H14 | 46.5° | 180.0° |
| H13 | C13 | C14 | H14A | 75.9° | 60.0° |
| H13A | C13 | C14 | H14 | 169.5° | 60.0° |
| H13A | C13 | C14 | H14A | 47.2° | 180.0° |
| HN18 | N18 | C19 | H19 | 124.4° | 142.9° |
| H19 | C19 | C22 | H22 | 176.0° | 61.1° |
| H19 | C19 | C22 | H22A | 52.9° | 58.9° |
| H26 | C26 | C27 | H27 | 63.2° | 64.9° |
| H26 | C26 | C29 | H29 | 154.9° | 180.0° |
| H26 | C26 | C29 | H29A | 33.2° | 60.0° |
| H26A | C26 | C27 | H27 | 173.0° | 175.0° |
| H26A | C26 | C29 | H29 | 81.2° | 60.0° |
| H26A | C26 | C29 | H29A | 157.0° | 180.0° |
| H27 | C27 | C36 | H36 | 174.2° | 175.0° |
| H27 | C27 | C36 | H36A | 62.5° | 64.9° |
| H27 | C27 | O37 | HO37 | 19.0° | 180.0° |
| H28 | C28 | C29 | H29 | 165.4° | 180.0° |
| H28 | C28 | C29 | H29A | 72.8° | 60.0° |
| H28 | C28 | C35 | H35 | 172.2° | 180.0° |
| H28 | C28 | C35 | H35A | 50.4° | 60.0° |
| H28A | C28 | C29 | H29 | 43.7° | 60.0° |
| H28A | C28 | C29 | H29A | 165.4° | 180.0° |
| H28A | C28 | C35 | H35 | 66.0° | 60.0° |
| H28A | C28 | C35 | H35A | 172.1° | 180.0° |
| H30 | C30 | H30A | H30B | 120.0° | 120.0° |
| H30 | C30 | C31 | H31 | 166.9° | 180.0° |
| H30 | C30 | C31 | H31A | 45.4° | 60.0° |
| H30A | C30 | C31 | H31 | 46.9° | 60.0° |
| H30A | C30 | C31 | H31A | 74.6° | 60.1° |
| H30B | C30 | C31 | H31 | 73.2° | 59.9° |
| H30B | C30 | C31 | H31A | 165.4° | 180.0° |
| H31 | C31 | C32 | H32 | 123.1° | 180.0° |
| H31 | C31 | C32 | H32A | 114.9° | 60.0° |
| H31A | C31 | C32 | H32 | 1.7° | 60.0° |
| H31A | C31 | C32 | H32A | 123.6° | 180.0° |
| H32 | C32 | C33 | H33 | 160.6° | 180.0° |
| H32 | C32 | C33 | H33A | 38.1° | 60.0° |
| H32A | C32 | C33 | H33 | 77.5° | 60.0° |
| H32A | C32 | C33 | H33A | 160.0° | 180.0° |
| H33 | C33 | C34 | H34 | 88.5° | 180.0° |
| H33 | C33 | C34 | H34A | 149.9° | 60.0° |
| H33A | C33 | C34 | H34 | 34.1° | 60.0° |
| H33A | C33 | C34 | H34A | 87.6° | 180.0° |
| H34 | C34 | C35 | H35 | 61.1° | 60.0° |
| H34 | C34 | C35 | H35A | 177.0° | 180.0° |
| H34A | C34 | C35 | H35 | 177.3° | 180.0° |
| H34A | C34 | C35 | H35A | 55.4° | 60.0° |
