3CY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.42Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.42Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.38Å | 1.42Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.42Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.38Å | 1.42Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.10Å | |
| C5 | C6 | doub | 1.38Å | 1.43Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | sing | 1.51Å | 1.53Å | |
| C7 | S1 | sing | 1.81Å | 1.80Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| S1 | C8 | sing | 1.81Å | 1.80Å | |
| C8 | C9 | sing | 1.51Å | 1.55Å | |
| C8 | H81 | sing | 1.09Å | 1.12Å | |
| C8 | H82 | sing | 1.09Å | 1.11Å | |
| C9 | C10 | sing | 1.51Å | 1.55Å | |
| C9 | O1 | doub | 1.21Å | 1.28Å | |
| C10 | N1 | sing | 1.47Å | 1.44Å | |
| C10 | C11 | sing | 1.53Å | 1.57Å | |
| C10 | H10 | sing | 1.09Å | 1.12Å | |
| N1 | C13 | sing | 1.35Å | 1.32Å | |
| N1 | HN1 | sing | 0.97Å | 1.02Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C12 | O2 | doub | 1.34Å | 1.21Å | |
| C12 | O3 | sing | 1.21Å | 1.20Å | |
| O3 | HO3 | sing | 5.40Å | 0.95Å | |
| C13 | O4 | doub | 1.21Å | 1.27Å | |
| C13 | C14 | sing | 1.51Å | 1.53Å | |
| C21 | N2 | sing | 1.40Å | 1.37Å | |
| C21 | C16 | doub | 1.39Å | 1.37Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.44Å | Aromatic |
| N2 | C14 | sing | 1.48Å | 1.47Å | |
| N2 | C25 | sing | 1.34Å | 1.38Å | |
| C14 | C15 | sing | 1.53Å | 1.58Å | |
| C14 | H14 | sing | 1.09Å | 1.11Å | |
| C15 | C16 | sing | 1.51Å | 1.48Å | |
| C15 | H151 | sing | 1.09Å | 1.11Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C16 | C17 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.42Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C18 | C19 | sing | 1.38Å | 1.43Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.10Å | |
| C19 | C20 | doub | 1.39Å | 1.43Å | Aromatic |
| C19 | H19 | sing | 1.08Å | 1.10Å | |
| C20 | C22 | sing | 1.49Å | 1.54Å | |
| C22 | C23 | sing | 1.50Å | 1.55Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| C23 | C24 | sing | 1.51Å | 1.52Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.12Å | |
| C24 | C25 | sing | 1.48Å | 1.54Å | |
| C24 | N3 | sing | 1.47Å | 1.47Å | |
| C24 | H24 | sing | 1.09Å | 1.12Å | |
| C25 | O5 | doub | 1.21Å | 1.26Å | |
| N3 | C26 | sing | 1.35Å | 1.34Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C26 | C27 | sing | 1.51Å | 1.54Å | |
| C26 | O6 | doub | 1.21Å | 1.27Å | |
| C27 | N4 | sing | 1.46Å | 1.48Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C27 | H27 | sing | 1.09Å | 1.12Å | |
| N4 | C30 | sing | 1.35Å | 1.36Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| C30 | C31 | sing | 1.51Å | 1.53Å | |
| C30 | O9 | doub | 1.21Å | 1.28Å | |
| C31 | H311 | sing | 1.09Å | 1.11Å | |
| C31 | H312 | sing | 1.09Å | 1.11Å | |
| C31 | H313 | sing | 1.09Å | 1.11Å | |
| C28 | C29 | sing | 1.51Å | 1.52Å | |
| C28 | H281 | sing | 1.09Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C29 | O8 | sing | 1.34Å | 1.21Å | |
| C29 | O7 | doub | 1.21Å | 1.22Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.7° | 120.0° |
| C2 | C1 | H1 | 119.7° | 120.0° |
| C1 | C2 | C3 | 119.9° | 120.0° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C6 | C1 | H1 | 119.6° | 120.0° |
| C1 | C6 | C5 | 118.5° | 120.0° |
| C1 | C6 | C7 | 121.9° | 120.0° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C2 | C3 | C4 | 120.1° | 120.0° |
| C2 | C3 | H3 | 120.0° | 120.0° |
| C4 | C3 | H3 | 119.8° | 120.0° |
| C3 | C4 | C5 | 119.6° | 120.0° |
| C3 | C4 | H4 | 120.3° | 120.0° |
| C5 | C4 | H4 | 120.1° | 120.0° |
| C4 | C5 | C6 | 121.2° | 120.0° |
| C4 | C5 | H5 | 118.8° | 120.0° |
| C6 | C5 | H5 | 120.1° | 120.0° |
| C5 | C6 | C7 | 119.6° | 120.0° |
| C6 | C7 | S1 | 111.8° | 109.5° |
| C6 | C7 | H71 | 111.3° | 109.5° |
| C6 | C7 | H72 | 111.4° | 109.5° |
| S1 | C7 | H71 | 111.4° | 109.5° |
| S1 | C7 | H72 | 111.4° | 109.5° |
| C7 | S1 | C8 | 102.3° | 100.0° |
| H71 | C7 | H72 | 99.0° | 109.4° |
| S1 | C8 | C9 | 111.7° | 109.5° |
| S1 | C8 | H81 | 111.4° | 109.5° |
| S1 | C8 | H82 | 111.4° | 109.4° |
| C9 | C8 | H81 | 111.4° | 109.5° |
| C9 | C8 | H82 | 111.4° | 109.5° |
| C8 | C9 | C10 | 113.1° | 120.0° |
| C8 | C9 | O1 | 104.7° | 120.0° |
| H81 | C8 | H82 | 99.0° | 109.4° |
| C10 | C9 | O1 | 112.1° | 120.0° |
| C9 | C10 | N1 | 115.1° | 109.5° |
| C9 | C10 | C11 | 111.9° | 109.4° |
| C9 | C10 | H10 | 103.2° | 109.5° |
| N1 | C10 | C11 | 107.8° | 109.5° |
| N1 | C10 | H10 | 107.6° | 109.5° |
| C10 | N1 | C13 | 117.8° | 120.0° |
| C10 | N1 | HN1 | 125.0° | 120.0° |
| C11 | C10 | H10 | 111.1° | 109.5° |
| C10 | C11 | C12 | 115.3° | 109.5° |
| C10 | C11 | H111 | 110.1° | 109.6° |
| C10 | C11 | H112 | 110.1° | 109.5° |
| C13 | N1 | HN1 | 117.2° | 120.0° |
| N1 | C13 | O4 | 124.8° | 120.0° |
| N1 | C13 | C14 | 115.5° | 120.0° |
| C12 | C11 | H111 | 110.1° | 109.4° |
| C12 | C11 | H112 | 110.1° | 109.5° |
| C11 | C12 | O2 | 120.0° | 120.0° |
| C11 | C12 | O3 | 120.2° | 120.0° |
| H111 | C11 | H112 | 100.1° | 109.4° |
| O2 | C12 | O3 | 119.8° | 120.0° |
| C12 | O3 | HO3 | 120.2° | 105.9° |
| O4 | C13 | C14 | 119.6° | 120.0° |
| C13 | C14 | N2 | 109.5° | 110.3° |
| C13 | C14 | C15 | 117.4° | 110.2° |
| C13 | C14 | H14 | 102.1° | 110.2° |
| N2 | C21 | C16 | 111.4° | 111.0° |
| N2 | C21 | C20 | 125.8° | 131.8° |
| C21 | N2 | C14 | 106.5° | 110.0° |
| C21 | N2 | C25 | 130.1° | 130.6° |
| C16 | C21 | C20 | 122.8° | 117.3° |
| C21 | C16 | C15 | 110.6° | 109.3° |
| C21 | C16 | C17 | 120.7° | 122.0° |
| C21 | C20 | C19 | 116.4° | 120.4° |
| C21 | C20 | C22 | 120.6° | 123.5° |
| C14 | N2 | C25 | 121.1° | 119.5° |
| N2 | C14 | C15 | 103.1° | 105.5° |
| N2 | C14 | H14 | 116.7° | 110.3° |
| N2 | C25 | C24 | 117.9° | 127.4° |
| N2 | C25 | O5 | 124.1° | 116.4° |
| C15 | C14 | H14 | 108.6° | 110.3° |
| C14 | C15 | C16 | 99.5° | 104.3° |
| C14 | C15 | H151 | 116.0° | 110.4° |
| C14 | C15 | H152 | 116.0° | 110.5° |
| C16 | C15 | H151 | 116.0° | 110.4° |
| C16 | C15 | H152 | 116.0° | 110.5° |
| C15 | C16 | C17 | 128.6° | 128.6° |
| H151 | C15 | H152 | 94.4° | 110.6° |
| C16 | C17 | C18 | 118.8° | 120.0° |
| C16 | C17 | H17 | 120.4° | 120.0° |
| C18 | C17 | H17 | 120.8° | 120.0° |
| C17 | C18 | C19 | 120.6° | 118.8° |
| C17 | C18 | H18 | 119.4° | 120.6° |
| C19 | C18 | H18 | 120.1° | 120.6° |
| C18 | C19 | C20 | 120.6° | 121.4° |
| C18 | C19 | H19 | 119.7° | 119.3° |
| C20 | C19 | H19 | 119.7° | 119.3° |
| C19 | C20 | C22 | 123.0° | 116.1° |
| C20 | C22 | C23 | 123.5° | 115.1° |
| C20 | C22 | H221 | 107.3° | 108.4° |
| C20 | C22 | H222 | 107.2° | 108.4° |
| C23 | C22 | H221 | 107.2° | 108.3° |
| C23 | C22 | H222 | 107.2° | 108.3° |
| C22 | C23 | C24 | 115.9° | 113.3° |
| C22 | C23 | H231 | 109.9° | 108.7° |
| C22 | C23 | H232 | 109.9° | 108.7° |
| H221 | C22 | H222 | 102.5° | 108.1° |
| C24 | C23 | H231 | 109.9° | 108.7° |
| C24 | C23 | H232 | 109.9° | 108.7° |
| C23 | C24 | C25 | 113.2° | 113.3° |
| C23 | C24 | N3 | 111.9° | 108.7° |
| C23 | C24 | H24 | 104.5° | 108.7° |
| H231 | C23 | H232 | 100.3° | 108.6° |
| C25 | C24 | N3 | 107.3° | 108.7° |
| C25 | C24 | H24 | 109.3° | 108.7° |
| C24 | C25 | O5 | 118.0° | 116.2° |
| N3 | C24 | H24 | 110.7° | 108.6° |
| C24 | N3 | C26 | 121.0° | 120.0° |
| C24 | N3 | HN3 | 124.2° | 120.0° |
| C26 | N3 | HN3 | 114.8° | 120.0° |
| N3 | C26 | C27 | 114.6° | 120.0° |
| N3 | C26 | O6 | 125.7° | 120.0° |
| C27 | C26 | O6 | 119.6° | 120.0° |
| C26 | C27 | N4 | 109.8° | 109.5° |
| C26 | C27 | C28 | 108.1° | 109.5° |
| C26 | C27 | H27 | 110.9° | 109.5° |
| N4 | C27 | C28 | 111.5° | 109.5° |
| N4 | C27 | H27 | 107.4° | 109.5° |
| C27 | N4 | C30 | 122.4° | 120.0° |
| C27 | N4 | HN4 | 123.1° | 120.0° |
| C28 | C27 | H27 | 109.2° | 109.5° |
| C27 | C28 | C29 | 114.6° | 109.5° |
| C27 | C28 | H281 | 110.3° | 109.5° |
| C27 | C28 | H282 | 110.4° | 109.5° |
| C30 | N4 | HN4 | 114.5° | 120.0° |
| N4 | C30 | C31 | 113.3° | 120.0° |
| N4 | C30 | O9 | 125.3° | 120.0° |
| C31 | C30 | O9 | 121.4° | 120.0° |
| C30 | C31 | H311 | 110.8° | 109.5° |
| C30 | C31 | H312 | 113.3° | 109.5° |
| C30 | C31 | H313 | 110.8° | 109.5° |
| H311 | C31 | H312 | 110.8° | 109.4° |
| H311 | C31 | H313 | 99.5° | 109.5° |
| H312 | C31 | H313 | 110.8° | 109.4° |
| C29 | C28 | H281 | 110.3° | 109.4° |
| C29 | C28 | H282 | 110.3° | 109.5° |
| C28 | C29 | O8 | 119.6° | 120.0° |
| C28 | C29 | O7 | 120.1° | 119.9° |
| H281 | C28 | H282 | 99.9° | 109.5° |
| O8 | C29 | O7 | 120.2° | 120.0° |
| C29 | O8 | HO8 | 119.6° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C1 | C2 | C3 | H3 | 179.7° | 179.9° |
| C2 | C1 | C6 | C5 | 0.0° | 0.2° |
| C2 | C1 | C6 | C7 | 179.7° | 180.0° |
| C6 | C1 | C2 | C3 | 0.2° | 0.0° |
| C6 | C1 | C2 | H2 | 179.8° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.4° |
| C1 | C6 | C5 | C7 | 179.7° | 179.8° |
| C1 | C6 | C5 | H5 | 180.0° | 179.9° |
| C1 | C6 | C7 | S1 | 148.7° | 90.0° |
| C1 | C6 | C7 | H71 | 23.5° | 30.1° |
| C1 | C6 | C7 | H72 | 86.0° | 150.0° |
| H1 | C1 | C2 | C3 | 179.8° | 180.0° |
| H1 | C1 | C2 | H2 | 0.1° | 0.0° |
| H1 | C1 | C6 | C5 | 180.0° | 179.8° |
| H1 | C1 | C6 | C7 | 0.3° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.4° | 0.2° |
| C2 | C3 | C4 | H4 | 179.6° | 180.0° |
| H2 | C2 | C3 | C4 | 179.7° | 180.0° |
| H2 | C2 | C3 | H3 | 0.3° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 0.2° | 0.4° |
| C3 | C4 | C5 | H5 | 179.8° | 180.0° |
| H3 | C3 | C4 | C5 | 179.7° | 179.9° |
| H3 | C3 | C4 | H4 | 0.3° | 0.0° |
| C4 | C5 | C6 | H5 | 180.0° | 179.6° |
| C4 | C5 | C6 | C7 | 179.7° | 179.8° |
| H4 | C4 | C5 | C6 | 179.8° | 179.8° |
| H4 | C4 | C5 | H5 | 0.2° | 0.1° |
| C5 | C6 | C7 | S1 | 31.5° | 90.2° |
| C5 | C6 | C7 | H71 | 156.8° | 149.7° |
| C5 | C6 | C7 | H72 | 93.7° | 29.8° |
| H5 | C5 | C6 | C7 | 0.3° | 0.2° |
| C6 | C7 | S1 | H71 | 125.2° | 120.1° |
| C6 | C7 | S1 | H72 | 125.3° | 120.0° |
| C6 | C7 | H71 | H72 | 117.2° | 120.0° |
| C6 | C7 | S1 | C8 | 175.5° | 180.0° |
| S1 | C7 | H71 | H72 | 117.3° | 120.0° |
| C7 | S1 | C8 | C9 | 177.5° | 180.0° |
| C7 | S1 | C8 | H81 | 57.2° | 60.0° |
| C7 | S1 | C8 | H82 | 52.3° | 60.0° |
| H71 | C7 | S1 | C8 | 59.2° | 60.0° |
| H72 | C7 | S1 | C8 | 50.2° | 60.0° |
| S1 | C8 | C9 | H81 | 125.2° | 120.0° |
| S1 | C8 | C9 | H82 | 125.3° | 120.0° |
| S1 | C8 | H81 | H82 | 117.3° | 119.9° |
| S1 | C8 | C9 | C10 | 177.0° | 180.0° |
| S1 | C8 | C9 | O1 | 54.7° | 0.0° |
| C9 | C8 | H81 | H82 | 117.3° | 120.0° |
| C8 | C9 | C10 | O1 | 118.1° | 180.0° |
| C8 | C9 | C10 | N1 | 52.4° | 165.0° |
| C8 | C9 | C10 | C11 | 175.9° | 75.0° |
| C8 | C9 | C10 | H10 | 64.5° | 45.0° |
| H81 | C8 | C9 | C10 | 57.7° | 60.0° |
| H81 | C8 | C9 | O1 | 180.0° | 120.0° |
| H82 | C8 | C9 | C10 | 51.7° | 60.0° |
| H82 | C8 | C9 | O1 | 70.5° | 120.0° |
| C9 | C10 | N1 | C11 | 125.7° | 120.0° |
| C9 | C10 | N1 | H10 | 114.4° | 120.0° |
| C9 | C10 | C11 | H10 | 114.7° | 120.0° |
| C9 | C10 | N1 | C13 | 116.1° | 82.9° |
| C9 | C10 | N1 | HN1 | 64.0° | 97.1° |
| C9 | C10 | C11 | C12 | 113.3° | 175.0° |
| C9 | C10 | C11 | H111 | 12.0° | 65.0° |
| C9 | C10 | C11 | H112 | 121.5° | 55.0° |
| O1 | C9 | C10 | N1 | 170.4° | 15.0° |
| O1 | C9 | C10 | C11 | 66.0° | 105.0° |
| O1 | C9 | C10 | H10 | 53.5° | 135.0° |
| N1 | C10 | C11 | H10 | 117.7° | 120.0° |
| C10 | N1 | C13 | HN1 | 180.0° | 180.0° |
| N1 | C10 | C11 | C12 | 119.2° | 65.0° |
| N1 | C10 | C11 | H111 | 115.6° | 55.0° |
| N1 | C10 | C11 | H112 | 6.1° | 175.0° |
| C10 | N1 | C13 | O4 | 0.8° | 4.9° |
| C10 | N1 | C13 | C14 | 177.2° | 175.0° |
| C11 | C10 | N1 | C13 | 118.3° | 157.2° |
| C11 | C10 | N1 | HN1 | 61.7° | 22.9° |
| C10 | C11 | C12 | H111 | 125.2° | 120.1° |
| C10 | C11 | C12 | H112 | 125.3° | 120.0° |
| C10 | C11 | H111 | H112 | 115.9° | 120.0° |
| C10 | C11 | C12 | O2 | 164.4° | 175.6° |
| C10 | C11 | C12 | O3 | 15.7° | 4.4° |
| H10 | C10 | N1 | C13 | 1.7° | 37.2° |
| H10 | C10 | N1 | HN1 | 178.3° | 142.9° |
| H10 | C10 | C11 | C12 | 1.5° | 55.0° |
| H10 | C10 | C11 | H111 | 126.7° | 175.0° |
| H10 | C10 | C11 | H112 | 123.8° | 65.0° |
| N1 | C13 | O4 | C14 | 177.9° | 179.9° |
| N1 | C13 | C14 | N2 | 164.5° | 177.6° |
| N1 | C13 | C14 | C15 | 78.4° | 61.5° |
| N1 | C13 | C14 | H14 | 40.2° | 60.4° |
| HN1 | N1 | C13 | O4 | 179.2° | 175.0° |
| HN1 | N1 | C13 | C14 | 2.8° | 5.0° |
| C12 | C11 | H111 | H112 | 115.9° | 119.9° |
| C11 | C12 | O2 | O3 | 179.9° | 180.0° |
| C11 | C12 | O3 | HO3 | 180.0° | 5.7° |
| H111 | C11 | C12 | O2 | 70.3° | 64.4° |
| H111 | C11 | C12 | O3 | 109.6° | 115.7° |
| H112 | C11 | C12 | O2 | 39.1° | 55.6° |
| H112 | C11 | C12 | O3 | 141.0° | 124.4° |
| O2 | C12 | O3 | HO3 | 0.1° | 174.3° |
| O4 | C13 | C14 | N2 | 13.7° | 2.5° |
| O4 | C13 | C14 | C15 | 103.4° | 118.6° |
| O4 | C13 | C14 | H14 | 137.9° | 119.5° |
| C13 | C14 | N2 | C21 | 96.6° | 118.4° |
| C13 | C14 | N2 | C15 | 125.8° | 119.0° |
| C13 | C14 | N2 | H14 | 115.3° | 122.0° |
| C13 | C14 | N2 | C25 | 98.9° | 62.1° |
| C13 | C14 | C15 | H14 | 115.1° | 121.9° |
| C13 | C14 | C15 | C16 | 93.8° | 118.7° |
| C13 | C14 | C15 | H151 | 140.9° | 122.7° |
| C13 | C14 | C15 | H152 | 31.4° | 0.0° |
| N2 | C21 | C16 | C20 | 179.6° | 179.9° |
| C21 | N2 | C14 | C25 | 164.5° | 179.5° |
| C21 | N2 | C14 | C15 | 29.2° | 0.6° |
| C21 | N2 | C14 | H14 | 148.1° | 119.6° |
| N2 | C21 | C16 | C15 | 1.4° | 0.3° |
| N2 | C21 | C16 | C17 | 178.8° | 179.7° |
| N2 | C21 | C20 | C19 | 179.0° | 179.8° |
| N2 | C21 | C20 | C22 | 2.6° | 0.2° |
| C21 | N2 | C25 | C24 | 2.1° | 2.8° |
| C21 | N2 | C25 | O5 | 179.6° | 177.2° |
| C16 | C21 | N2 | C14 | 20.2° | 0.6° |
| C16 | C21 | N2 | C25 | 142.4° | 178.8° |
| C21 | C16 | C15 | C14 | 16.2° | 0.1° |
| C21 | C16 | C15 | C17 | 179.8° | 180.0° |
| C21 | C16 | C15 | H151 | 109.0° | 118.6° |
| C21 | C16 | C15 | H152 | 141.5° | 118.8° |
| C21 | C16 | C17 | C18 | 0.7° | 0.2° |
| C21 | C16 | C17 | H17 | 179.3° | 179.8° |
| C16 | C21 | C20 | C19 | 1.4° | 0.3° |
| C16 | C21 | C20 | C22 | 177.0° | 179.7° |
| C20 | C21 | N2 | C14 | 159.4° | 179.3° |
| C20 | C21 | N2 | C25 | 38.0° | 1.3° |
| C20 | C21 | C16 | C15 | 178.3° | 179.6° |
| C20 | C21 | C16 | C17 | 1.6° | 0.4° |
| C21 | C20 | C19 | C18 | 0.4° | 0.1° |
| C21 | C20 | C19 | C22 | 178.3° | 180.0° |
| C21 | C20 | C19 | H19 | 179.6° | 179.9° |
| C21 | C20 | C22 | C23 | 45.7° | 33.8° |
| C21 | C20 | C22 | H221 | 170.9° | 155.2° |
| C21 | C20 | C22 | H222 | 79.6° | 87.6° |
| N2 | C14 | C15 | H14 | 124.4° | 119.0° |
| N2 | C14 | C15 | C16 | 26.7° | 0.4° |
| N2 | C14 | C15 | H151 | 98.6° | 118.2° |
| N2 | C14 | C15 | H152 | 151.9° | 119.1° |
| C14 | N2 | C25 | C24 | 158.3° | 177.8° |
| C14 | N2 | C25 | O5 | 20.0° | 2.2° |
| C25 | N2 | C14 | C15 | 135.4° | 178.9° |
| C25 | N2 | C14 | H14 | 16.4° | 59.9° |
| N2 | C25 | C24 | C23 | 69.5° | 35.3° |
| N2 | C25 | C24 | O5 | 178.4° | 180.0° |
| N2 | C25 | C24 | N3 | 166.6° | 85.6° |
| N2 | C25 | C24 | H24 | 46.5° | 156.3° |
| C14 | C15 | C16 | H151 | 125.2° | 118.6° |
| C14 | C15 | C16 | H152 | 125.3° | 118.7° |
| C14 | C15 | H151 | H152 | 121.8° | 122.6° |
| C14 | C15 | C16 | C17 | 163.6° | 179.9° |
| H14 | C14 | C15 | C16 | 151.1° | 119.4° |
| H14 | C14 | C15 | H151 | 25.8° | 0.8° |
| H14 | C14 | C15 | H152 | 83.7° | 121.8° |
| C16 | C15 | H151 | H152 | 121.8° | 122.6° |
| C15 | C16 | C17 | C18 | 179.1° | 179.8° |
| C15 | C16 | C17 | H17 | 0.9° | 0.2° |
| H151 | C15 | C16 | C17 | 71.2° | 61.5° |
| H152 | C15 | C16 | C17 | 38.4° | 61.2° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.2° | 0.1° |
| C16 | C17 | C18 | H18 | 179.7° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.3° | 0.1° |
| C17 | C18 | C19 | H19 | 179.6° | 179.9° |
| H17 | C17 | C18 | C19 | 179.7° | 179.9° |
| H17 | C17 | C18 | H18 | 0.3° | 0.1° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C22 | 177.9° | 179.9° |
| H18 | C18 | C19 | C20 | 179.6° | 179.9° |
| H18 | C18 | C19 | H19 | 0.4° | 0.1° |
| C19 | C20 | C22 | C23 | 136.1° | 146.1° |
| C19 | C20 | C22 | H221 | 10.8° | 24.7° |
| C19 | C20 | C22 | H222 | 98.7° | 92.4° |
| H19 | C19 | C20 | C22 | 2.1° | 0.1° |
| C20 | C22 | C23 | H221 | 125.3° | 121.4° |
| C20 | C22 | C23 | H222 | 125.2° | 121.5° |
| C20 | C22 | H221 | H222 | 112.7° | 117.3° |
| C20 | C22 | C23 | C24 | 10.2° | 77.4° |
| C20 | C22 | C23 | H231 | 115.0° | 43.7° |
| C20 | C22 | C23 | H232 | 135.5° | 161.7° |
| C23 | C22 | H221 | H222 | 112.8° | 117.2° |
| C22 | C23 | C24 | H231 | 125.2° | 121.1° |
| C22 | C23 | C24 | H232 | 125.3° | 121.0° |
| C22 | C23 | H231 | H232 | 115.7° | 118.1° |
| C22 | C23 | C24 | C25 | 59.5° | 77.1° |
| C22 | C23 | C24 | N3 | 179.2° | 43.9° |
| C22 | C23 | C24 | H24 | 59.4° | 162.0° |
| H221 | C22 | C23 | C24 | 135.5° | 161.2° |
| H221 | C22 | C23 | H231 | 10.3° | 77.8° |
| H221 | C22 | C23 | H232 | 99.2° | 40.2° |
| H222 | C22 | C23 | C24 | 115.0° | 44.1° |
| H222 | C22 | C23 | H231 | 119.7° | 165.2° |
| H222 | C22 | C23 | H232 | 10.2° | 76.8° |
| C24 | C23 | H231 | H232 | 115.7° | 118.1° |
| C23 | C24 | C25 | N3 | 123.9° | 120.9° |
| C23 | C24 | C25 | H24 | 116.0° | 121.0° |
| C23 | C24 | N3 | H24 | 116.1° | 118.2° |
| C23 | C24 | C25 | O5 | 112.1° | 144.6° |
| C23 | C24 | N3 | C26 | 82.8° | 87.4° |
| C23 | C24 | N3 | HN3 | 97.1° | 92.6° |
| H231 | C23 | C24 | C25 | 175.3° | 44.0° |
| H231 | C23 | C24 | N3 | 53.9° | 164.9° |
| H231 | C23 | C24 | H24 | 65.8° | 77.0° |
| H232 | C23 | C24 | C25 | 65.8° | 162.0° |
| H232 | C23 | C24 | N3 | 55.6° | 77.1° |
| H232 | C23 | C24 | H24 | 175.3° | 41.0° |
| C25 | C24 | N3 | H24 | 119.2° | 118.2° |
| C25 | C24 | N3 | C26 | 152.4° | 149.0° |
| C25 | C24 | N3 | HN3 | 27.6° | 31.1° |
| N3 | C24 | C25 | O5 | 11.8° | 94.4° |
| C24 | N3 | C26 | HN3 | 180.0° | 180.0° |
| C24 | N3 | C26 | C27 | 178.1° | 180.0° |
| C24 | N3 | C26 | O6 | 0.4° | 0.0° |
| H24 | C24 | C25 | O5 | 131.9° | 23.7° |
| H24 | C24 | N3 | C26 | 33.2° | 30.8° |
| H24 | C24 | N3 | HN3 | 146.8° | 149.2° |
| N3 | C26 | C27 | O6 | 178.6° | 180.0° |
| N3 | C26 | C27 | N4 | 135.3° | 180.0° |
| N3 | C26 | C27 | C28 | 102.9° | 60.0° |
| N3 | C26 | C27 | H27 | 16.8° | 60.0° |
| HN3 | N3 | C26 | C27 | 1.9° | 0.0° |
| HN3 | N3 | C26 | O6 | 179.6° | 180.0° |
| C26 | C27 | N4 | C28 | 119.8° | 120.0° |
| C26 | C27 | N4 | H27 | 120.7° | 120.0° |
| C26 | C27 | C28 | H27 | 120.7° | 120.0° |
| C26 | C27 | N4 | C30 | 86.1° | 83.0° |
| C26 | C27 | N4 | HN4 | 94.0° | 97.0° |
| C26 | C27 | C28 | C29 | 179.9° | 173.9° |
| C26 | C27 | C28 | H281 | 54.7° | 66.2° |
| C26 | C27 | C28 | H282 | 54.8° | 53.8° |
| O6 | C26 | C27 | N4 | 46.1° | 0.0° |
| O6 | C26 | C27 | C28 | 75.8° | 120.0° |
| O6 | C26 | C27 | H27 | 164.6° | 120.0° |
| N4 | C27 | C28 | H27 | 118.5° | 120.0° |
| C27 | N4 | C30 | HN4 | 180.0° | 180.0° |
| C27 | N4 | C30 | C31 | 179.9° | 175.0° |
| C27 | N4 | C30 | O9 | 0.0° | 5.0° |
| N4 | C27 | C28 | C29 | 59.3° | 66.1° |
| N4 | C27 | C28 | H281 | 175.4° | 53.8° |
| N4 | C27 | C28 | H282 | 66.0° | 173.8° |
| C28 | C27 | N4 | C30 | 154.2° | 157.0° |
| C28 | C27 | N4 | HN4 | 25.8° | 23.0° |
| C27 | C28 | C29 | H281 | 125.3° | 120.0° |
| C27 | C28 | C29 | H282 | 125.3° | 120.1° |
| C27 | C28 | H281 | H282 | 116.2° | 120.0° |
| C27 | C28 | C29 | O8 | 129.7° | 174.3° |
| C27 | C28 | C29 | O7 | 50.9° | 5.7° |
| H27 | C27 | N4 | C30 | 34.6° | 37.0° |
| H27 | C27 | N4 | HN4 | 145.4° | 143.0° |
| H27 | C27 | C28 | C29 | 59.2° | 53.9° |
| H27 | C27 | C28 | H281 | 66.1° | 173.8° |
| H27 | C27 | C28 | H282 | 175.5° | 66.2° |
| N4 | C30 | C31 | O9 | 180.0° | 180.0° |
| N4 | C30 | C31 | H311 | 54.8° | 90.0° |
| N4 | C30 | C31 | H312 | 180.0° | 30.0° |
| N4 | C30 | C31 | H313 | 54.7° | 150.0° |
| HN4 | N4 | C30 | C31 | 0.0° | 5.0° |
| HN4 | N4 | C30 | O9 | 180.0° | 175.0° |
| C30 | C31 | H311 | H312 | 126.6° | 120.0° |
| C30 | C31 | H311 | H313 | 116.7° | 120.0° |
| C30 | C31 | H312 | H313 | 125.3° | 120.0° |
| O9 | C30 | C31 | H311 | 125.2° | 90.0° |
| O9 | C30 | C31 | H312 | 0.0° | 150.0° |
| O9 | C30 | C31 | H313 | 125.3° | 30.0° |
| H311 | C31 | H312 | H313 | 109.5° | 120.0° |
| C29 | C28 | H281 | H282 | 116.1° | 120.0° |
| C28 | C29 | O8 | O7 | 179.4° | 180.0° |
| C28 | C29 | O8 | HO8 | 180.0° | 179.9° |
| H281 | C28 | C29 | O8 | 105.0° | 54.3° |
| H281 | C28 | C29 | O7 | 74.3° | 125.7° |
| H282 | C28 | C29 | O8 | 4.4° | 65.6° |
| H282 | C28 | C29 | O7 | 176.2° | 114.3° |
| O7 | C29 | O8 | HO8 | 0.6° | 0.1° |
