MY9
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.38Å | 1.47Å | |
| C1 | C6 | doub | 1.39Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.08Å | |
| C2 | C7 | sing | 1.51Å | 1.48Å | |
| C2 | C3 | doub | 1.38Å | 1.45Å | |
| C3 | C4 | sing | 1.39Å | 1.44Å | |
| C3 | H3 | sing | 1.09Å | 1.08Å | |
| C4 | C5 | doub | 1.40Å | 1.44Å | |
| C4 | H4 | sing | 1.09Å | 1.08Å | |
| C5 | C6 | sing | 1.40Å | 1.45Å | |
| C5 | F1 | sing | 1.34Å | 1.34Å | |
| C6 | H6 | sing | 1.09Å | 1.08Å | |
| C7 | N1 | sing | 1.45Å | 1.46Å | |
| C7 | C18 | sing | 1.53Å | 1.54Å | |
| C7 | H7 | sing | 1.10Å | 1.10Å | |
| N1 | C8 | sing | 1.40Å | 1.38Å | |
| N1 | HN1 | sing | 1.01Å | 1.00Å | |
| C8 | C9 | sing | 1.45Å | 1.48Å | |
| C8 | O1 | doub | 1.24Å | 1.23Å | |
| C9 | C14 | doub | 1.39Å | 1.45Å | |
| C9 | C10 | sing | 1.40Å | 1.44Å | |
| C10 | C11 | doub | 1.38Å | 1.42Å | |
| C10 | H10 | sing | 1.09Å | 1.08Å | |
| C11 | C12 | sing | 1.38Å | 1.44Å | |
| C11 | C17 | sing | 1.49Å | 1.46Å | |
| C12 | C13 | doub | 1.40Å | 1.44Å | |
| C12 | H12 | sing | 1.09Å | 1.08Å | |
| C13 | N2 | sing | 1.43Å | 1.41Å | |
| C13 | C14 | sing | 1.40Å | 1.45Å | |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| N2 | C16 | sing | 1.49Å | 1.50Å | |
| N2 | S1 | sing | 1.73Å | 1.66Å | |
| S1 | C15 | sing | 1.78Å | 1.79Å | |
| S1 | O3 | doub | 1.45Å | 1.44Å | |
| S1 | O2 | doub | 1.45Å | 1.44Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C17 | O4 | doub | 1.23Å | 1.23Å | |
| C17 | N3 | sing | 1.38Å | 1.37Å | |
| C18 | H181 | sing | 1.10Å | 1.10Å | |
| C18 | H182 | sing | 1.10Å | 1.10Å | |
| C18 | H183 | sing | 1.10Å | 1.10Å | |
| N3 | C19 | sing | 1.45Å | 1.48Å | |
| N3 | HN3 | sing | 1.01Å | 1.00Å | |
| C19 | C20 | sing | 1.54Å | 1.53Å | |
| C19 | C27 | sing | 1.55Å | 1.56Å | |
| C19 | H19 | sing | 1.10Å | 1.10Å | |
| C20 | C21 | sing | 1.51Å | 1.54Å | |
| C20 | H201 | sing | 1.10Å | 1.10Å | |
| C20 | H202 | sing | 1.10Å | 1.10Å | |
| C21 | C22 | sing | 1.39Å | 1.48Å | |
| C21 | C26 | doub | 1.39Å | 1.46Å | |
| C22 | C23 | doub | 1.40Å | 1.45Å | |
| C22 | H22 | sing | 1.09Å | 1.08Å | |
| C23 | C24 | sing | 1.39Å | 1.46Å | |
| C23 | H23 | sing | 1.09Å | 1.08Å | |
| C24 | C25 | doub | 1.39Å | 1.46Å | |
| C24 | H24 | sing | 1.09Å | 1.08Å | |
| C25 | C26 | sing | 1.40Å | 1.46Å | |
| C25 | H25 | sing | 1.09Å | 1.08Å | |
| C26 | H26 | sing | 1.09Å | 1.08Å | |
| C27 | C29 | sing | 1.52Å | 1.57Å | |
| C27 | O5 | sing | 1.43Å | 1.34Å | |
| C27 | H27 | sing | 1.10Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C28 | N5 | sing | 1.45Å | 1.48Å | |
| C28 | C32 | sing | 1.53Å | 1.55Å | |
| C28 | C33 | sing | 1.53Å | 1.52Å | |
| C28 | N4 | sing | 1.48Å | 1.46Å | |
| N4 | C29 | sing | 1.47Å | 1.47Å | |
| N4 | HN4 | sing | 1.02Å | 1.00Å | |
| C29 | C30 | sing | 1.51Å | 1.53Å | |
| C29 | H29 | sing | 1.10Å | 1.10Å | |
| C30 | O6 | doub | 1.22Å | 1.23Å | |
| C30 | N5 | sing | 1.39Å | 1.33Å | |
| N5 | C31 | sing | 1.45Å | 1.46Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 117.9° | 119.2° |
| C2 | C1 | H1 | 121.1° | 121.3° |
| C1 | C2 | C7 | 121.9° | 119.2° |
| C1 | C2 | C3 | 124.4° | 121.6° |
| C6 | C1 | H1 | 121.1° | 119.5° |
| C1 | C6 | C5 | 116.6° | 120.1° |
| C1 | C6 | H6 | 121.7° | 120.0° |
| C7 | C2 | C3 | 113.7° | 119.2° |
| C2 | C7 | N1 | 114.5° | 111.5° |
| C2 | C7 | C18 | 109.5° | 112.5° |
| C2 | C7 | H7 | 105.8° | 109.1° |
| C2 | C3 | C4 | 117.6° | 119.2° |
| C2 | C3 | H3 | 121.2° | 121.3° |
| C4 | C3 | H3 | 121.2° | 119.4° |
| C3 | C4 | C5 | 117.0° | 120.0° |
| C3 | C4 | H4 | 121.5° | 120.0° |
| C5 | C4 | H4 | 121.5° | 120.0° |
| C4 | C5 | C6 | 126.5° | 119.9° |
| C4 | C5 | F1 | 117.0° | 120.0° |
| C6 | C5 | F1 | 116.4° | 120.0° |
| C5 | C6 | H6 | 121.7° | 119.9° |
| N1 | C7 | C18 | 109.1° | 110.1° |
| N1 | C7 | H7 | 106.3° | 105.5° |
| C7 | N1 | C8 | 126.8° | 123.5° |
| C7 | N1 | HN1 | 116.6° | 117.1° |
| C18 | C7 | H7 | 111.6° | 107.8° |
| C7 | C18 | H181 | 109.5° | 111.1° |
| C7 | C18 | H182 | 109.5° | 110.5° |
| C7 | C18 | H183 | 109.4° | 112.0° |
| C8 | N1 | HN1 | 116.6° | 119.3° |
| N1 | C8 | C9 | 116.1° | 117.0° |
| N1 | C8 | O1 | 120.6° | 122.5° |
| C9 | C8 | O1 | 123.3° | 120.5° |
| C8 | C9 | C14 | 122.0° | 120.0° |
| C8 | C9 | C10 | 120.1° | 120.0° |
| C14 | C9 | C10 | 117.9° | 120.0° |
| C9 | C14 | C13 | 122.5° | 120.1° |
| C9 | C14 | H14 | 118.8° | 120.0° |
| C9 | C10 | C11 | 121.2° | 118.9° |
| C9 | C10 | H10 | 119.4° | 120.0° |
| C11 | C10 | H10 | 119.4° | 121.1° |
| C10 | C11 | C12 | 120.0° | 122.3° |
| C10 | C11 | C17 | 120.8° | 118.9° |
| C12 | C11 | C17 | 119.2° | 118.9° |
| C11 | C12 | C13 | 121.4° | 118.9° |
| C11 | C12 | H12 | 119.3° | 121.2° |
| C11 | C17 | O4 | 121.4° | 119.3° |
| C11 | C17 | N3 | 116.1° | 115.7° |
| C13 | C12 | H12 | 119.3° | 119.9° |
| C12 | C13 | N2 | 118.5° | 120.0° |
| C12 | C13 | C14 | 117.0° | 119.9° |
| N2 | C13 | C14 | 124.5° | 120.0° |
| C13 | N2 | C16 | 119.8° | 117.5° |
| C13 | N2 | S1 | 123.0° | 117.4° |
| C13 | C14 | H14 | 118.8° | 119.9° |
| C16 | N2 | S1 | 116.2° | 117.5° |
| N2 | C16 | H161 | 109.5° | 110.1° |
| N2 | C16 | H162 | 109.5° | 110.2° |
| N2 | C16 | H163 | 109.5° | 110.2° |
| N2 | S1 | C15 | 111.8° | 101.4° |
| N2 | S1 | O3 | 108.9° | 110.0° |
| N2 | S1 | O2 | 106.6° | 109.5° |
| C15 | S1 | O3 | 109.2° | 107.4° |
| C15 | S1 | O2 | 104.5° | 106.8° |
| S1 | C15 | H151 | 109.5° | 108.4° |
| S1 | C15 | H152 | 109.5° | 108.4° |
| S1 | C15 | H153 | 109.5° | 108.4° |
| O3 | S1 | O2 | 115.9° | 120.1° |
| H151 | C15 | H152 | 109.4° | 110.5° |
| H151 | C15 | H153 | 109.5° | 110.5° |
| H152 | C15 | H153 | 109.5° | 110.6° |
| H161 | C16 | H162 | 109.4° | 108.8° |
| H161 | C16 | H163 | 109.5° | 108.8° |
| H162 | C16 | H163 | 109.5° | 108.7° |
| O4 | C17 | N3 | 122.5° | 125.0° |
| C17 | N3 | C19 | 120.9° | 122.3° |
| C17 | N3 | HN3 | 119.5° | 120.7° |
| H181 | C18 | H182 | 109.4° | 108.0° |
| H181 | C18 | H183 | 109.4° | 107.9° |
| H182 | C18 | H183 | 109.5° | 107.1° |
| C19 | N3 | HN3 | 119.5° | 116.9° |
| N3 | C19 | C20 | 107.9° | 108.9° |
| N3 | C19 | C27 | 109.9° | 110.5° |
| N3 | C19 | H19 | 110.5° | 105.6° |
| C20 | C19 | C27 | 110.3° | 113.7° |
| C20 | C19 | H19 | 110.1° | 109.3° |
| C19 | C20 | C21 | 116.5° | 114.0° |
| C19 | C20 | H201 | 107.2° | 109.5° |
| C19 | C20 | H202 | 105.5° | 110.4° |
| C27 | C19 | H19 | 108.1° | 108.5° |
| C19 | C27 | C29 | 109.5° | 113.3° |
| C19 | C27 | O5 | 112.1° | 109.5° |
| C19 | C27 | H27 | 107.8° | 109.0° |
| C21 | C20 | H201 | 107.2° | 107.7° |
| C21 | C20 | H202 | 105.6° | 110.1° |
| C20 | C21 | C22 | 124.0° | 119.4° |
| C20 | C21 | C26 | 114.3° | 119.4° |
| H201 | C20 | H202 | 115.2° | 104.8° |
| C22 | C21 | C26 | 121.7° | 121.3° |
| C21 | C22 | C23 | 118.4° | 119.4° |
| C21 | C22 | H22 | 120.8° | 121.2° |
| C21 | C26 | C25 | 119.9° | 119.4° |
| C21 | C26 | H26 | 120.1° | 121.2° |
| C23 | C22 | H22 | 120.8° | 119.5° |
| C22 | C23 | C24 | 119.2° | 120.0° |
| C22 | C23 | H23 | 120.4° | 120.0° |
| C24 | C23 | H23 | 120.4° | 120.0° |
| C23 | C24 | C25 | 123.1° | 120.0° |
| C23 | C24 | H24 | 118.4° | 120.0° |
| C25 | C24 | H24 | 118.4° | 120.0° |
| C24 | C25 | C26 | 117.7° | 120.0° |
| C24 | C25 | H25 | 121.2° | 120.0° |
| C26 | C25 | H25 | 121.2° | 120.0° |
| C25 | C26 | H26 | 120.0° | 119.4° |
| C29 | C27 | O5 | 109.8° | 109.4° |
| C29 | C27 | H27 | 110.1° | 108.4° |
| C27 | C29 | N4 | 111.2° | 112.1° |
| C27 | C29 | C30 | 111.0° | 112.2° |
| C27 | C29 | H29 | 105.4° | 110.0° |
| O5 | C27 | H27 | 107.5° | 107.0° |
| C27 | O5 | HO5 | 109.5° | 106.4° |
| N5 | C28 | C32 | 110.1° | 113.0° |
| N5 | C28 | C33 | 112.8° | 111.4° |
| N5 | C28 | N4 | 103.7° | 103.5° |
| C28 | N5 | C30 | 110.5° | 112.2° |
| C28 | N5 | C31 | 121.9° | 123.4° |
| C32 | C28 | C33 | 110.4° | 110.3° |
| C32 | C28 | N4 | 111.4° | 109.5° |
| C28 | C32 | H321 | 109.5° | 110.6° |
| C28 | C32 | H322 | 109.4° | 110.5° |
| C28 | C32 | H323 | 109.5° | 110.6° |
| C33 | C28 | N4 | 108.4° | 108.9° |
| C28 | C33 | H331 | 109.5° | 110.6° |
| C28 | C33 | H332 | 109.5° | 110.6° |
| C28 | C33 | H333 | 109.5° | 110.6° |
| C28 | N4 | C29 | 101.6° | 106.3° |
| C28 | N4 | HN4 | 112.2° | 108.5° |
| C29 | N4 | HN4 | 112.2° | 108.3° |
| N4 | C29 | C30 | 103.1° | 104.3° |
| N4 | C29 | H29 | 113.0° | 109.7° |
| C30 | C29 | H29 | 113.2° | 108.3° |
| C29 | C30 | O6 | 131.2° | 125.4° |
| C29 | C30 | N5 | 105.8° | 106.3° |
| O6 | C30 | N5 | 123.0° | 128.3° |
| C30 | N5 | C31 | 127.5° | 124.4° |
| N5 | C31 | H311 | 109.5° | 110.2° |
| N5 | C31 | H312 | 109.5° | 110.2° |
| N5 | C31 | H313 | 109.5° | 110.2° |
| H311 | C31 | H312 | 109.4° | 108.8° |
| H311 | C31 | H313 | 109.5° | 108.7° |
| H312 | C31 | H313 | 109.5° | 108.7° |
| H321 | C32 | H322 | 109.5° | 108.3° |
| H321 | C32 | H323 | 109.4° | 108.3° |
| H322 | C32 | H323 | 109.5° | 108.4° |
| H331 | C33 | H332 | 109.5° | 108.3° |
| H331 | C33 | H333 | 109.5° | 108.4° |
| H332 | C33 | H333 | 109.5° | 108.3° |
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 | C7 | C3 | 179.1° | 180.0° |
| C1 | C2 | C3 | C4 | 1.2° | 0.0° |
| C1 | C2 | C3 | H3 | 178.8° | 180.0° |
| C2 | C1 | C6 | C5 | 2.1° | 0.0° |
| C2 | C1 | C6 | H6 | 177.9° | 180.0° |
| C1 | C2 | C7 | N1 | 59.3° | 34.3° |
| C1 | C2 | C7 | C18 | 63.5° | 90.0° |
| C1 | C2 | C7 | H7 | 176.1° | 150.4° |
| C6 | C1 | C2 | C7 | 176.0° | 180.0° |
| C6 | C1 | C2 | C3 | 3.0° | 0.0° |
| C1 | C6 | C5 | C4 | 0.4° | 0.0° |
| C1 | C6 | C5 | H6 | 180.0° | 180.0° |
| C1 | C6 | C5 | F1 | 179.3° | 180.0° |
| H1 | C1 | C2 | C7 | 3.9° | 0.0° |
| H1 | C1 | C2 | C3 | 177.0° | 180.0° |
| H1 | C1 | C6 | C5 | 177.9° | 180.0° |
| H1 | C1 | C6 | H6 | 2.1° | 0.0° |
| C7 | C2 | C3 | C4 | 177.9° | 180.0° |
| C7 | C2 | C3 | H3 | 2.1° | 0.0° |
| C2 | C7 | N1 | C18 | 123.1° | 125.6° |
| C2 | C7 | N1 | H7 | 116.4° | 118.4° |
| C2 | C7 | C18 | H7 | 116.8° | 120.4° |
| C2 | C7 | N1 | C8 | 101.0° | 88.3° |
| C2 | C7 | N1 | HN1 | 79.0° | 87.6° |
| C2 | C7 | C18 | H181 | 175.5° | 116.4° |
| C2 | C7 | C18 | H182 | 55.5° | 123.7° |
| C2 | C7 | C18 | H183 | 64.6° | 4.4° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 1.4° | 0.0° |
| C2 | C3 | C4 | H4 | 178.6° | 180.0° |
| C3 | C2 | C7 | N1 | 121.5° | 145.7° |
| C3 | C2 | C7 | C18 | 115.6° | 90.0° |
| C3 | C2 | C7 | H7 | 4.8° | 29.6° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 2.3° | 0.0° |
| C3 | C4 | C5 | F1 | 177.5° | 180.0° |
| H3 | C3 | C4 | C5 | 178.6° | 180.0° |
| H3 | C3 | C4 | H4 | 1.4° | 0.1° |
| C4 | C5 | C6 | F1 | 179.8° | 180.0° |
| C4 | C5 | C6 | H6 | 179.6° | 180.0° |
| H4 | C4 | C5 | C6 | 177.7° | 180.0° |
| H4 | C4 | C5 | F1 | 2.5° | 0.0° |
| F1 | C5 | C6 | H6 | 0.7° | 0.0° |
| N1 | C7 | C18 | H7 | 117.2° | 114.6° |
| C7 | N1 | C8 | HN1 | 180.0° | 175.8° |
| C7 | N1 | C8 | C9 | 172.8° | 178.9° |
| C7 | N1 | C8 | O1 | 7.2° | 0.0° |
| N1 | C7 | C18 | H181 | 58.5° | 8.6° |
| N1 | C7 | C18 | H182 | 178.5° | 111.3° |
| N1 | C7 | C18 | H183 | 61.5° | 129.4° |
| C18 | C7 | N1 | C8 | 135.9° | 146.0° |
| C18 | C7 | N1 | HN1 | 44.1° | 38.1° |
| C7 | C18 | H181 | H182 | 120.0° | 121.4° |
| C7 | C18 | H181 | H183 | 120.0° | 123.2° |
| C7 | C18 | H182 | H183 | 120.0° | 122.2° |
| H7 | C7 | N1 | C8 | 15.5° | 30.0° |
| H7 | C7 | N1 | HN1 | 164.5° | 154.1° |
| H7 | C7 | C18 | H181 | 58.7° | 123.2° |
| H7 | C7 | C18 | H182 | 61.3° | 3.3° |
| H7 | C7 | C18 | H183 | 178.6° | 116.0° |
| N1 | C8 | C9 | O1 | 179.9° | 178.9° |
| N1 | C8 | C9 | C14 | 141.7° | 153.0° |
| N1 | C8 | C9 | C10 | 34.9° | 27.0° |
| HN1 | N1 | C8 | C9 | 7.2° | 3.1° |
| HN1 | N1 | C8 | O1 | 172.8° | 175.8° |
| C8 | C9 | C14 | C10 | 176.7° | 180.0° |
| C8 | C9 | C10 | C11 | 172.0° | 180.0° |
| C8 | C9 | C10 | H10 | 8.0° | 0.1° |
| C8 | C9 | C14 | C13 | 173.9° | 180.0° |
| C8 | C9 | C14 | H14 | 6.1° | 0.0° |
| O1 | C8 | C9 | C14 | 38.2° | 25.9° |
| O1 | C8 | C9 | C10 | 145.2° | 154.1° |
| C14 | C9 | C10 | C11 | 4.8° | 0.0° |
| C14 | C9 | C10 | H10 | 175.2° | 179.9° |
| C9 | C14 | C13 | C12 | 0.6° | 0.0° |
| C9 | C14 | C13 | N2 | 179.9° | 180.0° |
| C9 | C14 | C13 | H14 | 180.0° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 3.3° | 0.0° |
| C9 | C10 | C11 | C17 | 178.6° | 180.0° |
| C10 | C9 | C14 | C13 | 2.8° | 0.0° |
| C10 | C9 | C14 | H14 | 177.2° | 180.0° |
| C10 | C11 | C12 | C17 | 178.2° | 179.9° |
| C10 | C11 | C12 | C13 | 0.4° | 0.0° |
| C10 | C11 | C12 | H12 | 179.6° | 180.0° |
| C10 | C11 | C17 | O4 | 127.9° | 26.0° |
| C10 | C11 | C17 | N3 | 52.0° | 152.9° |
| H10 | C10 | C11 | C12 | 176.7° | 179.9° |
| H10 | C10 | C11 | C17 | 1.5° | 0.2° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | N2 | 178.2° | 180.0° |
| C11 | C12 | C13 | C14 | 2.3° | 0.0° |
| C12 | C11 | C17 | O4 | 50.3° | 154.1° |
| C12 | C11 | C17 | N3 | 129.8° | 27.0° |
| C17 | C11 | C12 | C13 | 177.8° | 180.0° |
| C17 | C11 | C12 | H12 | 2.2° | 0.0° |
| C11 | C17 | O4 | N3 | 180.0° | 178.8° |
| C11 | C17 | N3 | C19 | 163.2° | 178.8° |
| C11 | C17 | N3 | HN3 | 16.7° | 3.1° |
| C12 | C13 | N2 | C14 | 179.5° | 180.0° |
| C12 | C13 | C14 | H14 | 179.4° | 180.0° |
| C12 | C13 | N2 | C16 | 48.4° | 60.0° |
| C12 | C13 | N2 | S1 | 143.5° | 88.7° |
| H12 | C12 | C13 | N2 | 1.8° | 0.0° |
| H12 | C12 | C13 | C14 | 177.7° | 180.0° |
| N2 | C13 | C14 | H14 | 0.1° | 0.1° |
| C13 | N2 | C16 | S1 | 168.9° | 148.8° |
| C13 | N2 | S1 | C15 | 88.2° | 90.0° |
| C13 | N2 | S1 | O3 | 151.0° | 23.4° |
| C13 | N2 | S1 | O2 | 25.3° | 157.4° |
| C13 | N2 | C16 | H161 | 147.3° | 76.5° |
| C13 | N2 | C16 | H162 | 92.7° | 43.6° |
| C13 | N2 | C16 | H163 | 27.3° | 163.5° |
| C14 | C13 | N2 | C16 | 132.2° | 120.0° |
| C14 | C13 | N2 | S1 | 35.9° | 91.2° |
| C16 | N2 | S1 | C15 | 80.3° | 58.8° |
| C16 | N2 | S1 | O3 | 40.5° | 172.2° |
| C16 | N2 | S1 | O2 | 166.2° | 53.8° |
| N2 | C16 | H161 | H162 | 120.0° | 120.9° |
| N2 | C16 | H161 | H163 | 120.0° | 120.9° |
| N2 | C16 | H162 | H163 | 120.0° | 120.9° |
| N2 | S1 | C15 | O3 | 120.5° | 115.4° |
| N2 | S1 | C15 | O2 | 114.8° | 114.6° |
| N2 | S1 | O3 | O2 | 120.1° | 128.3° |
| N2 | S1 | C15 | H151 | 139.8° | 71.4° |
| N2 | S1 | C15 | H152 | 19.9° | 48.6° |
| N2 | S1 | C15 | H153 | 100.1° | 168.7° |
| S1 | N2 | C16 | H161 | 43.8° | 72.3° |
| S1 | N2 | C16 | H162 | 76.2° | 167.7° |
| S1 | N2 | C16 | H163 | 163.8° | 47.7° |
| C15 | S1 | O3 | O2 | 117.6° | 122.1° |
| S1 | C15 | H151 | H152 | 120.0° | 118.7° |
| S1 | C15 | H151 | H153 | 120.0° | 118.6° |
| S1 | C15 | H152 | H153 | 120.0° | 118.7° |
| O3 | S1 | C15 | H151 | 99.6° | 173.2° |
| O3 | S1 | C15 | H152 | 140.4° | 66.8° |
| O3 | S1 | C15 | H153 | 20.4° | 53.3° |
| O2 | S1 | C15 | H151 | 25.0° | 43.2° |
| O2 | S1 | C15 | H152 | 95.0° | 163.2° |
| O2 | S1 | C15 | H153 | 145.1° | 76.8° |
| H151 | C15 | H152 | H153 | 120.0° | 122.7° |
| H161 | C16 | H162 | H163 | 120.0° | 118.3° |
| O4 | C17 | N3 | C19 | 16.7° | 0.0° |
| O4 | C17 | N3 | HN3 | 163.3° | 175.7° |
| C17 | N3 | C19 | HN3 | 180.0° | 175.9° |
| C17 | N3 | C19 | C20 | 119.9° | 62.8° |
| C17 | N3 | C19 | C27 | 119.8° | 62.8° |
| C17 | N3 | C19 | H19 | 0.6° | 180.0° |
| H181 | C18 | H182 | H183 | 120.0° | 116.0° |
| N3 | C19 | C20 | C27 | 120.1° | 123.7° |
| N3 | C19 | C20 | H19 | 120.7° | 114.9° |
| N3 | C19 | C27 | H19 | 120.7° | 115.4° |
| N3 | C19 | C20 | C21 | 53.8° | 74.9° |
| N3 | C19 | C20 | H201 | 66.2° | 164.4° |
| N3 | C19 | C20 | H202 | 170.6° | 49.6° |
| N3 | C19 | C27 | C29 | 62.9° | 55.3° |
| N3 | C19 | C27 | O5 | 175.0° | 177.8° |
| N3 | C19 | C27 | H27 | 56.9° | 65.4° |
| HN3 | N3 | C19 | C20 | 60.1° | 121.4° |
| HN3 | N3 | C19 | C27 | 60.2° | 113.1° |
| HN3 | N3 | C19 | H19 | 179.4° | 4.1° |
| C20 | C19 | C27 | H19 | 120.5° | 121.9° |
| C19 | C20 | C21 | H201 | 120.0° | 121.7° |
| C19 | C20 | C21 | H202 | 116.7° | 124.6° |
| C19 | C20 | H201 | H202 | 117.0° | 118.4° |
| C19 | C20 | C21 | C22 | 40.1° | 89.9° |
| C19 | C20 | C21 | C26 | 140.4° | 90.0° |
| C20 | C19 | C27 | C29 | 178.2° | 178.1° |
| C20 | C19 | C27 | O5 | 56.1° | 59.4° |
| C20 | C19 | C27 | H27 | 61.9° | 57.3° |
| C27 | C19 | C20 | C21 | 173.9° | 161.4° |
| C27 | C19 | C20 | H201 | 53.9° | 40.7° |
| C27 | C19 | C20 | H202 | 69.3° | 74.1° |
| C19 | C27 | C29 | O5 | 123.5° | 122.5° |
| C19 | C27 | C29 | H27 | 118.4° | 121.1° |
| C19 | C27 | O5 | H27 | 118.3° | 118.0° |
| C19 | C27 | O5 | HO5 | 51.0° | 105.5° |
| C19 | C27 | C29 | N4 | 179.5° | 64.1° |
| C19 | C27 | C29 | C30 | 66.3° | 178.9° |
| C19 | C27 | C29 | H29 | 56.7° | 58.3° |
| H19 | C19 | C20 | C21 | 66.8° | 40.0° |
| H19 | C19 | C20 | H201 | 173.2° | 80.7° |
| H19 | C19 | C20 | H202 | 49.9° | 164.4° |
| H19 | C19 | C27 | C29 | 57.8° | 60.0° |
| H19 | C19 | C27 | O5 | 64.4° | 62.4° |
| H19 | C19 | C27 | H27 | 177.6° | 179.2° |
| C21 | C20 | H201 | H202 | 117.1° | 117.2° |
| C20 | C21 | C22 | C26 | 179.5° | 179.9° |
| C20 | C21 | C22 | C23 | 179.7° | 180.0° |
| C20 | C21 | C22 | H22 | 0.3° | 0.0° |
| C20 | C21 | C26 | C25 | 179.0° | 180.0° |
| C20 | C21 | C26 | H26 | 1.0° | 0.1° |
| H201 | C20 | C21 | C22 | 160.1° | 31.8° |
| H201 | C20 | C21 | C26 | 20.5° | 148.3° |
| H202 | C20 | C21 | C22 | 76.7° | 145.5° |
| H202 | C20 | C21 | C26 | 102.8° | 34.6° |
| C21 | C22 | C23 | H22 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.5° | 0.0° |
| C21 | C22 | C23 | H23 | 179.5° | 180.0° |
| C22 | C21 | C26 | C25 | 0.5° | 0.1° |
| C22 | C21 | C26 | H26 | 179.5° | 180.0° |
| C26 | C21 | C22 | C23 | 0.2° | 0.1° |
| C26 | C21 | C22 | H22 | 179.8° | 179.9° |
| C21 | C26 | C25 | C24 | 1.9° | 0.0° |
| C21 | C26 | C25 | H26 | 180.0° | 179.9° |
| C21 | C26 | C25 | H25 | 178.1° | 180.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 2.1° | 0.0° |
| C22 | C23 | C24 | H24 | 177.9° | 180.0° |
| H22 | C22 | C23 | C24 | 179.5° | 180.0° |
| H22 | C22 | C23 | H23 | 0.5° | 0.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 2.7° | 0.0° |
| C23 | C24 | C25 | H25 | 177.2° | 180.0° |
| H23 | C23 | C24 | C25 | 177.9° | 180.0° |
| H23 | C23 | C24 | H24 | 2.1° | 0.0° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | H26 | 178.1° | 180.0° |
| H24 | C24 | C25 | C26 | 177.2° | 180.0° |
| H24 | C24 | C25 | H25 | 2.8° | 0.1° |
| H25 | C25 | C26 | H26 | 1.9° | 0.0° |
| C29 | C27 | O5 | H27 | 119.8° | 117.3° |
| C29 | C27 | O5 | HO5 | 70.9° | 19.2° |
| C27 | C29 | N4 | C28 | 156.8° | 148.2° |
| C27 | C29 | N4 | C30 | 119.1° | 121.7° |
| C27 | C29 | N4 | H29 | 118.4° | 122.5° |
| C27 | C29 | N4 | HN4 | 83.2° | 31.8° |
| C27 | C29 | C30 | H29 | 118.3° | 121.6° |
| C27 | C29 | C30 | O6 | 35.5° | 43.5° |
| C27 | C29 | C30 | N5 | 145.1° | 138.3° |
| O5 | C27 | C29 | N4 | 57.0° | 173.4° |
| O5 | C27 | C29 | C30 | 57.2° | 56.4° |
| O5 | C27 | C29 | H29 | 179.9° | 64.2° |
| H27 | C27 | O5 | HO5 | 169.3° | 136.5° |
| H27 | C27 | C29 | N4 | 61.1° | 57.0° |
| H27 | C27 | C29 | C30 | 175.3° | 60.0° |
| H27 | C27 | C29 | H29 | 61.7° | 179.4° |
| N5 | C28 | C32 | C33 | 125.2° | 125.4° |
| N5 | C28 | C32 | N4 | 114.4° | 114.8° |
| N5 | C28 | C33 | N4 | 114.2° | 113.5° |
| N5 | C28 | N4 | C29 | 36.0° | 26.0° |
| N5 | C28 | N4 | HN4 | 156.0° | 90.3° |
| C28 | N5 | C30 | C29 | 3.1° | 0.5° |
| C28 | N5 | C30 | O6 | 177.5° | 178.6° |
| C28 | N5 | C30 | C31 | 177.8° | 177.2° |
| C28 | N5 | C31 | H311 | 130.6° | 127.5° |
| C28 | N5 | C31 | H312 | 109.4° | 112.4° |
| C28 | N5 | C31 | H313 | 10.6° | 7.6° |
| N5 | C28 | C32 | H321 | 166.1° | 98.5° |
| N5 | C28 | C32 | H322 | 46.0° | 141.6° |
| N5 | C28 | C32 | H323 | 74.0° | 21.5° |
| N5 | C28 | C33 | H331 | 22.2° | 179.6° |
| N5 | C28 | C33 | H332 | 97.8° | 59.6° |
| N5 | C28 | C33 | H333 | 142.2° | 60.4° |
| C32 | C28 | C33 | N4 | 122.2° | 120.2° |
| C32 | C28 | N4 | C29 | 82.4° | 146.8° |
| C32 | C28 | N4 | HN4 | 37.6° | 30.5° |
| C32 | C28 | N5 | C30 | 98.3° | 134.2° |
| C32 | C28 | N5 | C31 | 83.8° | 48.5° |
| C28 | C32 | H321 | H322 | 120.0° | 121.2° |
| C28 | C32 | H321 | H323 | 120.0° | 121.4° |
| C28 | C32 | H322 | H323 | 120.0° | 121.4° |
| C32 | C28 | C33 | H331 | 101.4° | 54.1° |
| C32 | C28 | C33 | H332 | 138.6° | 174.1° |
| C32 | C28 | C33 | H333 | 18.6° | 65.9° |
| C33 | C28 | N4 | C29 | 156.0° | 92.6° |
| C33 | C28 | N4 | HN4 | 84.0° | 151.2° |
| C33 | C28 | N5 | C30 | 137.9° | 101.0° |
| C33 | C28 | N5 | C31 | 40.0° | 76.3° |
| C33 | C28 | C32 | H321 | 68.8° | 136.1° |
| C33 | C28 | C32 | H322 | 171.2° | 16.2° |
| C33 | C28 | C32 | H323 | 51.2° | 103.9° |
| C28 | C33 | H331 | H332 | 120.0° | 121.4° |
| C28 | C33 | H331 | H333 | 120.0° | 121.3° |
| C28 | C33 | H332 | H333 | 120.0° | 121.3° |
| C28 | N4 | C29 | HN4 | 120.0° | 116.4° |
| C28 | N4 | C29 | C30 | 37.7° | 26.5° |
| C28 | N4 | C29 | H29 | 84.9° | 89.3° |
| N4 | C28 | N5 | C30 | 21.0° | 15.8° |
| N4 | C28 | N5 | C31 | 157.0° | 166.9° |
| N4 | C28 | C32 | H321 | 51.7° | 16.3° |
| N4 | C28 | C32 | H322 | 68.4° | 103.6° |
| N4 | C28 | C32 | H323 | 171.6° | 136.3° |
| N4 | C28 | C33 | H331 | 136.4° | 66.1° |
| N4 | C28 | C33 | H332 | 16.4° | 53.9° |
| N4 | C28 | C33 | H333 | 103.6° | 173.9° |
| N4 | C29 | C30 | H29 | 122.5° | 116.8° |
| N4 | C29 | C30 | O6 | 154.7° | 165.1° |
| N4 | C29 | C30 | N5 | 25.9° | 16.8° |
| HN4 | N4 | C29 | C30 | 157.7° | 89.9° |
| HN4 | N4 | C29 | H29 | 35.2° | 154.3° |
| C29 | C30 | O6 | N5 | 179.2° | 177.7° |
| C29 | C30 | N5 | C31 | 179.1° | 176.7° |
| H29 | C29 | C30 | O6 | 82.8° | 78.1° |
| H29 | C29 | C30 | N5 | 96.5° | 100.1° |
| O6 | C30 | N5 | C31 | 0.3° | 1.4° |
| C30 | N5 | C31 | H311 | 51.8° | 55.6° |
| C30 | N5 | C31 | H312 | 68.2° | 64.5° |
| C30 | N5 | C31 | H313 | 171.9° | 175.5° |
| N5 | C31 | H311 | H312 | 120.0° | 120.9° |
| N5 | C31 | H311 | H313 | 120.0° | 120.9° |
| N5 | C31 | H312 | H313 | 120.0° | 120.8° |
| H311 | C31 | H312 | H313 | 120.0° | 118.3° |
| H321 | C32 | H322 | H323 | 120.0° | 117.3° |
| H331 | C33 | H332 | H333 | 120.0° | 117.3° |
