PSM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | O1 | doub | 1.21Å | 1.23Å | |
| C15 | N17 | sing | 1.35Å | 1.35Å | |
| C15 | C5 | sing | 1.51Å | 1.55Å | |
| N17 | C18 | sing | 1.46Å | 1.43Å | |
| N17 | H17 | sing | 0.97Å | 1.00Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| C18 | C28 | sing | 1.51Å | 1.53Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | C20 | sing | 1.53Å | 1.55Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | S2 | sing | 1.81Å | 1.84Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C28 | O30 | doub | 1.21Å | 1.23Å | |
| C28 | N31 | sing | 1.35Å | 1.35Å | |
| N31 | C32 | sing | 1.46Å | 1.43Å | |
| N31 | H31 | sing | 0.97Å | 1.00Å | |
| C32 | C25 | sing | 1.51Å | 1.51Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | C25 | sing | 1.38Å | 1.42Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | C22 | sing | 1.39Å | 1.42Å | Aromatic |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | C23 | doub | 1.39Å | 1.42Å | Aromatic |
| C22 | C26 | sing | 1.48Å | 1.49Å | |
| C23 | C24 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | doub | 1.38Å | 1.41Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C26 | N1 | doub | 1.30Å | 1.32Å | |
| C26 | N2 | sing | 1.38Å | 1.33Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| S2 | C6 | sing | 1.81Å | 1.82Å | |
| C1 | O2 | sing | 1.43Å | 1.43Å | |
| C1 | C5 | sing | 1.53Å | 1.56Å | |
| C1 | C3 | sing | 1.53Å | 1.57Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| N4 | C5 | sing | 1.47Å | 1.47Å | |
| N4 | S1 | sing | 1.66Å | 1.73Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H31A | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| C3 | H33 | sing | 1.09Å | 1.10Å | |
| S1 | O4 | doub | 1.42Å | 1.41Å | |
| S1 | O3 | doub | 1.42Å | 1.43Å | |
| S1 | C9 | sing | 1.81Å | 1.75Å | |
| C9 | C8 | sing | 1.53Å | 1.50Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C8 | C7 | sing | 1.53Å | 1.52Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| N2 | HN21 | sing | 0.97Å | 1.00Å | |
| N2 | HN22 | sing | 0.97Å | 1.00Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C7 | H73 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C15 | N17 | 124.9° | 119.9° |
| O1 | C15 | C5 | 121.4° | 120.0° |
| N17 | C15 | C5 | 113.7° | 120.0° |
| C15 | N17 | C18 | 116.0° | 120.0° |
| C15 | N17 | H17 | 122.0° | 119.9° |
| C15 | C5 | C1 | 110.3° | 109.5° |
| C15 | C5 | N4 | 110.9° | 109.5° |
| C15 | C5 | H5 | 107.6° | 109.5° |
| C18 | N17 | H17 | 122.0° | 120.0° |
| N17 | C18 | C19 | 112.8° | 109.5° |
| N17 | C18 | C28 | 110.3° | 109.5° |
| N17 | C18 | H18 | 109.2° | 109.5° |
| C19 | C18 | C28 | 116.1° | 109.5° |
| C19 | C18 | H18 | 102.4° | 109.5° |
| C18 | C19 | C20 | 112.0° | 109.4° |
| C18 | C19 | H191 | 108.7° | 109.5° |
| C18 | C19 | H192 | 108.7° | 109.5° |
| C28 | C18 | H18 | 105.3° | 109.5° |
| C18 | C28 | O30 | 121.3° | 120.0° |
| C18 | C28 | N31 | 111.8° | 120.0° |
| C20 | C19 | H191 | 108.7° | 109.5° |
| C20 | C19 | H192 | 108.7° | 109.5° |
| C19 | C20 | S2 | 114.7° | 109.4° |
| C19 | C20 | H201 | 107.8° | 109.5° |
| C19 | C20 | H202 | 107.8° | 109.5° |
| H191 | C19 | H192 | 110.2° | 109.5° |
| S2 | C20 | H201 | 107.7° | 109.4° |
| S2 | C20 | H202 | 107.7° | 109.5° |
| C20 | S2 | C6 | 99.9° | 103.0° |
| H201 | C20 | H202 | 111.2° | 109.5° |
| O30 | C28 | N31 | 126.9° | 120.0° |
| C28 | N31 | C32 | 117.7° | 120.0° |
| C28 | N31 | H31 | 121.2° | 120.0° |
| C32 | N31 | H31 | 121.1° | 120.0° |
| N31 | C32 | C25 | 114.8° | 109.5° |
| N31 | C32 | H321 | 107.7° | 109.5° |
| N31 | C32 | H322 | 107.7° | 109.5° |
| C25 | C32 | H321 | 107.7° | 109.5° |
| C25 | C32 | H322 | 107.8° | 109.5° |
| C32 | C25 | C16 | 120.1° | 119.9° |
| C32 | C25 | C24 | 120.5° | 119.9° |
| H321 | C32 | H322 | 111.2° | 109.5° |
| C17 | C16 | C25 | 120.5° | 120.2° |
| C17 | C16 | H16 | 119.7° | 119.9° |
| C16 | C17 | C22 | 120.6° | 119.8° |
| C16 | C17 | H2 | 119.7° | 120.1° |
| C25 | C16 | H16 | 119.8° | 119.9° |
| C16 | C25 | C24 | 119.4° | 120.3° |
| C22 | C17 | H2 | 119.7° | 120.0° |
| C17 | C22 | C23 | 118.8° | 119.7° |
| C17 | C22 | C26 | 120.2° | 120.1° |
| C23 | C22 | C26 | 121.1° | 120.1° |
| C22 | C23 | C24 | 120.2° | 119.9° |
| C22 | C23 | H23 | 119.9° | 120.1° |
| C22 | C26 | N1 | 120.9° | 120.0° |
| C22 | C26 | N2 | 122.8° | 120.0° |
| C24 | C23 | H23 | 119.9° | 120.0° |
| C23 | C24 | C25 | 120.3° | 120.1° |
| C23 | C24 | H24 | 119.8° | 119.9° |
| C25 | C24 | H24 | 119.8° | 119.9° |
| N1 | C26 | N2 | 116.3° | 120.0° |
| C26 | N1 | HN1 | 112.0° | 120.0° |
| C26 | N2 | HN21 | 120.0° | 120.0° |
| C26 | N2 | HN22 | 120.0° | 120.0° |
| S2 | C6 | H61 | 109.5° | 109.4° |
| S2 | C6 | H62 | 109.4° | 109.5° |
| S2 | C6 | H63 | 109.5° | 109.5° |
| O2 | C1 | C5 | 110.8° | 109.5° |
| O2 | C1 | C3 | 115.5° | 109.5° |
| O2 | C1 | H1 | 107.7° | 109.5° |
| C1 | O2 | HO2 | 109.5° | 114.0° |
| C5 | C1 | C3 | 117.8° | 109.5° |
| C5 | C1 | H1 | 104.7° | 109.5° |
| C1 | C5 | N4 | 108.6° | 109.5° |
| C1 | C5 | H5 | 110.0° | 109.5° |
| C3 | C1 | H1 | 98.4° | 109.4° |
| C1 | C3 | H31A | 109.5° | 109.5° |
| C1 | C3 | H32 | 109.5° | 109.5° |
| C1 | C3 | H33 | 109.5° | 109.5° |
| C5 | N4 | S1 | 118.7° | 120.0° |
| C5 | N4 | HN4 | 106.5° | 120.0° |
| N4 | C5 | H5 | 109.5° | 109.4° |
| S1 | N4 | HN4 | 106.5° | 120.0° |
| N4 | S1 | O4 | 104.6° | 104.3° |
| N4 | S1 | O3 | 104.4° | 104.3° |
| N4 | S1 | C9 | 108.7° | 104.4° |
| H31A | C3 | H32 | 109.5° | 109.5° |
| H31A | C3 | H33 | 109.4° | 109.5° |
| H32 | C3 | H33 | 109.5° | 109.5° |
| O4 | S1 | O3 | 118.7° | 121.1° |
| O4 | S1 | C9 | 109.4° | 110.5° |
| O3 | S1 | C9 | 110.4° | 110.5° |
| S1 | C9 | C8 | 109.1° | 109.5° |
| S1 | C9 | H91 | 109.6° | 109.5° |
| S1 | C9 | H92 | 109.6° | 109.5° |
| C8 | C9 | H91 | 109.6° | 109.4° |
| C8 | C9 | H92 | 109.6° | 109.5° |
| C9 | C8 | C7 | 109.6° | 109.5° |
| C9 | C8 | H81 | 109.4° | 109.4° |
| C9 | C8 | H82 | 109.4° | 109.5° |
| H91 | C9 | H92 | 109.3° | 109.5° |
| C7 | C8 | H81 | 109.4° | 109.4° |
| C7 | C8 | H82 | 109.4° | 109.5° |
| C8 | C7 | H71 | 109.5° | 109.4° |
| C8 | C7 | H72 | 109.5° | 109.5° |
| C8 | C7 | H73 | 109.5° | 109.5° |
| H81 | C8 | H82 | 109.5° | 109.5° |
| HN21 | N2 | HN22 | 120.0° | 120.0° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H61 | C6 | H63 | 109.4° | 109.5° |
| H62 | C6 | H63 | 109.5° | 109.5° |
| H71 | C7 | H72 | 109.5° | 109.4° |
| H71 | C7 | H73 | 109.5° | 109.5° |
| H72 | C7 | H73 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C15 | N17 | C5 | 179.9° | 179.7° |
| O1 | C15 | N17 | C18 | 4.7° | 4.5° |
| O1 | C15 | N17 | H17 | 175.2° | 175.5° |
| O1 | C15 | C5 | C1 | 83.3° | 95.5° |
| O1 | C15 | C5 | N4 | 37.0° | 24.5° |
| O1 | C15 | C5 | H5 | 156.7° | 144.5° |
| C15 | N17 | C18 | H17 | 180.0° | 180.0° |
| C15 | N17 | C18 | C19 | 164.9° | 85.0° |
| C15 | N17 | C18 | C28 | 63.5° | 155.0° |
| C15 | N17 | C18 | H18 | 51.8° | 35.0° |
| N17 | C15 | C5 | C1 | 96.8° | 84.8° |
| N17 | C15 | C5 | N4 | 142.9° | 155.2° |
| N17 | C15 | C5 | H5 | 23.2° | 35.2° |
| C5 | C15 | N17 | C18 | 175.4° | 175.2° |
| C5 | C15 | N17 | H17 | 4.6° | 4.8° |
| C15 | C5 | C1 | O2 | 174.3° | 59.6° |
| C15 | C5 | C1 | N4 | 121.7° | 120.1° |
| C15 | C5 | C1 | H5 | 118.6° | 120.0° |
| C15 | C5 | C1 | C3 | 49.7° | 179.6° |
| C15 | C5 | C1 | H1 | 58.4° | 60.5° |
| C15 | C5 | N4 | H5 | 118.6° | 120.0° |
| C15 | C5 | N4 | S1 | 98.2° | 95.5° |
| C15 | C5 | N4 | HN4 | 141.8° | 84.4° |
| N17 | C18 | C19 | C28 | 128.7° | 120.0° |
| N17 | C18 | C19 | H18 | 117.3° | 120.0° |
| N17 | C18 | C28 | H18 | 117.7° | 120.0° |
| N17 | C18 | C19 | C20 | 57.3° | 65.0° |
| N17 | C18 | C19 | H191 | 62.7° | 55.0° |
| N17 | C18 | C19 | H192 | 177.4° | 175.0° |
| N17 | C18 | C28 | O30 | 35.4° | 0.0° |
| N17 | C18 | C28 | N31 | 143.6° | 180.0° |
| H17 | N17 | C18 | C19 | 15.1° | 95.0° |
| H17 | N17 | C18 | C28 | 116.5° | 25.0° |
| H17 | N17 | C18 | H18 | 128.2° | 145.0° |
| C19 | C18 | C28 | H18 | 112.4° | 120.0° |
| C18 | C19 | C20 | H191 | 120.0° | 120.0° |
| C18 | C19 | C20 | H192 | 120.0° | 120.0° |
| C18 | C19 | H191 | H192 | 119.0° | 120.0° |
| C18 | C19 | C20 | S2 | 46.1° | 180.0° |
| C18 | C19 | C20 | H201 | 73.9° | 60.0° |
| C18 | C19 | C20 | H202 | 166.1° | 60.0° |
| C19 | C18 | C28 | O30 | 94.5° | 120.0° |
| C19 | C18 | C28 | N31 | 86.6° | 60.0° |
| C28 | C18 | C19 | C20 | 174.0° | 175.0° |
| C28 | C18 | C19 | H191 | 66.0° | 65.0° |
| C28 | C18 | C19 | H192 | 53.9° | 55.0° |
| C18 | C28 | O30 | N31 | 178.7° | 180.0° |
| C18 | C28 | N31 | C32 | 177.6° | 180.0° |
| C18 | C28 | N31 | H31 | 2.4° | 0.0° |
| H18 | C18 | C19 | C20 | 59.9° | 55.0° |
| H18 | C18 | C19 | H191 | 179.9° | 175.0° |
| H18 | C18 | C19 | H192 | 60.1° | 65.0° |
| H18 | C18 | C28 | O30 | 153.1° | 120.0° |
| H18 | C18 | C28 | N31 | 25.8° | 60.0° |
| C20 | C19 | H191 | H192 | 119.0° | 120.1° |
| C19 | C20 | S2 | H201 | 120.0° | 120.0° |
| C19 | C20 | S2 | H202 | 120.0° | 120.0° |
| C19 | C20 | H201 | H202 | 117.9° | 120.1° |
| C19 | C20 | S2 | C6 | 62.0° | 180.0° |
| H191 | C19 | C20 | S2 | 166.1° | 60.0° |
| H191 | C19 | C20 | H201 | 46.1° | NaN° |
| H191 | C19 | C20 | H202 | 73.9° | 60.0° |
| H192 | C19 | C20 | S2 | 73.9° | 60.0° |
| H192 | C19 | C20 | H201 | 166.1° | 60.0° |
| H192 | C19 | C20 | H202 | 46.1° | 180.0° |
| S2 | C20 | H201 | H202 | 117.8° | 120.0° |
| C20 | S2 | C6 | H61 | 180.0° | 60.0° |
| C20 | S2 | C6 | H62 | 60.0° | 60.0° |
| C20 | S2 | C6 | H63 | 60.0° | 180.0° |
| H201 | C20 | S2 | C6 | 178.0° | 60.0° |
| H202 | C20 | S2 | C6 | 57.9° | 60.0° |
| O30 | C28 | N31 | C32 | 1.3° | 0.0° |
| O30 | C28 | N31 | H31 | 178.8° | 180.0° |
| C28 | N31 | C32 | H31 | 180.0° | 179.9° |
| C28 | N31 | C32 | C25 | 95.3° | 180.0° |
| C28 | N31 | C32 | H321 | 144.8° | 60.0° |
| C28 | N31 | C32 | H322 | 24.8° | 59.9° |
| N31 | C32 | C25 | H321 | 120.0° | 120.0° |
| N31 | C32 | C25 | H322 | 120.0° | 120.0° |
| N31 | C32 | H321 | H322 | 117.8° | 120.0° |
| N31 | C32 | C25 | C16 | 60.0° | 90.0° |
| N31 | C32 | C25 | C24 | 119.6° | 90.3° |
| H31 | N31 | C32 | C25 | 84.7° | 0.0° |
| H31 | N31 | C32 | H321 | 35.2° | 120.0° |
| H31 | N31 | C32 | H322 | 155.3° | 120.0° |
| C25 | C32 | H321 | H322 | 117.9° | 120.0° |
| C32 | C25 | C16 | C17 | 178.9° | 180.0° |
| C32 | C25 | C16 | C24 | 179.6° | 179.7° |
| C32 | C25 | C16 | H16 | 1.1° | 0.0° |
| C32 | C25 | C24 | C23 | 176.8° | 179.7° |
| C32 | C25 | C24 | H24 | 3.2° | 0.3° |
| H321 | C32 | C25 | C16 | 180.0° | 30.0° |
| H321 | C32 | C25 | C24 | 0.4° | 149.7° |
| H322 | C32 | C25 | C16 | 60.0° | 150.0° |
| H322 | C32 | C25 | C24 | 120.4° | 29.7° |
| C17 | C16 | C25 | H16 | 180.0° | 180.0° |
| C16 | C17 | C22 | H2 | 180.0° | 179.9° |
| C16 | C17 | C22 | C23 | 3.8° | 0.0° |
| C16 | C17 | C22 | C26 | 175.6° | 180.0° |
| C17 | C16 | C25 | C24 | 0.7° | 0.3° |
| C25 | C16 | C17 | C22 | 2.6° | 0.0° |
| C25 | C16 | C17 | H2 | 177.4° | 180.0° |
| C16 | C25 | C24 | C23 | 2.8° | 0.6° |
| C16 | C25 | C24 | H24 | 177.2° | 180.0° |
| H16 | C16 | C17 | C22 | 177.4° | 180.0° |
| H16 | C16 | C17 | H2 | 2.6° | 0.1° |
| H16 | C16 | C25 | C24 | 179.3° | 179.7° |
| C17 | C22 | C23 | C26 | 179.3° | 180.0° |
| C17 | C22 | C23 | C24 | 1.7° | 0.3° |
| C17 | C22 | C23 | H23 | 178.3° | 180.0° |
| C17 | C22 | C26 | N1 | 15.1° | 0.0° |
| C17 | C22 | C26 | N2 | 165.7° | 180.0° |
| H2 | C17 | C22 | C23 | 176.2° | 180.0° |
| H2 | C17 | C22 | C26 | 4.4° | 0.1° |
| C22 | C23 | C24 | H23 | 180.0° | 179.7° |
| C22 | C23 | C24 | C25 | 1.6° | 0.6° |
| C22 | C23 | C24 | H24 | 178.4° | 180.0° |
| C23 | C22 | C26 | N1 | 165.5° | 180.0° |
| C23 | C22 | C26 | N2 | 13.6° | 0.0° |
| C26 | C22 | C23 | C24 | 177.7° | 179.7° |
| C26 | C22 | C23 | H23 | 2.3° | 0.0° |
| C22 | C26 | N1 | N2 | 179.2° | 180.0° |
| C22 | C26 | N1 | HN1 | 179.2° | 180.0° |
| C22 | C26 | N2 | HN21 | 179.2° | 0.1° |
| C22 | C26 | N2 | HN22 | 0.8° | 180.0° |
| C23 | C24 | C25 | H24 | 180.0° | 179.4° |
| H23 | C23 | C24 | C25 | 178.4° | 179.7° |
| H23 | C23 | C24 | H24 | 1.6° | 0.3° |
| N1 | C26 | N2 | HN21 | 0.0° | 180.0° |
| N1 | C26 | N2 | HN22 | 180.0° | 0.1° |
| N2 | C26 | N1 | HN1 | 0.0° | 0.0° |
| C26 | N2 | HN21 | HN22 | 180.0° | 179.9° |
| S2 | C6 | H61 | H62 | 120.0° | 120.0° |
| S2 | C6 | H61 | H63 | 120.0° | 120.0° |
| S2 | C6 | H62 | H63 | 120.0° | 120.0° |
| O2 | C1 | C5 | C3 | 136.1° | 120.0° |
| O2 | C1 | C5 | H1 | 115.9° | 120.0° |
| O2 | C1 | C3 | H1 | 114.3° | 120.0° |
| O2 | C1 | C5 | N4 | 52.6° | 60.5° |
| O2 | C1 | C5 | H5 | 67.2° | 179.6° |
| O2 | C1 | C3 | H31A | 180.0° | 63.6° |
| O2 | C1 | C3 | H32 | 60.0° | 176.4° |
| O2 | C1 | C3 | H33 | 60.0° | 56.4° |
| C5 | C1 | C3 | H1 | 111.6° | 120.0° |
| C5 | C1 | O2 | HO2 | 180.0° | 58.7° |
| C1 | C5 | N4 | H5 | 120.1° | 120.0° |
| C1 | C5 | N4 | S1 | 140.4° | 144.4° |
| C1 | C5 | N4 | HN4 | 20.4° | 35.7° |
| C5 | C1 | C3 | H31A | 45.9° | 56.5° |
| C5 | C1 | C3 | H32 | 165.9° | 63.5° |
| C5 | C1 | C3 | H33 | 74.1° | 176.4° |
| C3 | C1 | O2 | HO2 | 42.8° | 178.8° |
| C3 | C1 | C5 | N4 | 171.3° | 59.6° |
| C3 | C1 | C5 | H5 | 68.9° | 60.4° |
| C1 | C3 | H31A | H32 | 120.0° | 120.0° |
| C1 | C3 | H31A | H33 | 120.0° | 120.0° |
| C1 | C3 | H32 | H33 | 120.0° | 120.0° |
| H1 | C1 | O2 | HO2 | 66.0° | 61.3° |
| H1 | C1 | C5 | N4 | 63.3° | 179.5° |
| H1 | C1 | C5 | H5 | 177.0° | 59.6° |
| H1 | C1 | C3 | H31A | 65.7° | 176.4° |
| H1 | C1 | C3 | H32 | 54.3° | 56.4° |
| H1 | C1 | C3 | H33 | 174.3° | 63.6° |
| C5 | N4 | S1 | HN4 | 120.0° | 179.9° |
| C5 | N4 | S1 | O4 | 172.6° | 179.4° |
| C5 | N4 | S1 | O3 | 47.2° | 52.7° |
| C5 | N4 | S1 | C9 | 70.6° | 63.3° |
| S1 | N4 | C5 | H5 | 20.4° | 24.5° |
| N4 | S1 | O4 | O3 | 115.8° | 116.8° |
| N4 | S1 | O4 | C9 | 116.3° | 111.7° |
| N4 | S1 | O3 | C9 | 116.7° | 111.7° |
| N4 | S1 | C9 | C8 | 80.4° | 176.1° |
| N4 | S1 | C9 | H91 | 39.6° | 56.1° |
| N4 | S1 | C9 | H92 | 159.6° | 63.8° |
| HN4 | N4 | C5 | H5 | 99.7° | 155.6° |
| HN4 | N4 | S1 | O4 | 52.6° | 0.8° |
| HN4 | N4 | S1 | O3 | 72.8° | 127.2° |
| HN4 | N4 | S1 | C9 | 169.4° | 116.8° |
| H31A | C3 | H32 | H33 | 120.0° | 120.0° |
| O4 | S1 | O3 | C9 | 127.4° | 131.5° |
| O4 | S1 | C9 | C8 | 33.2° | 72.3° |
| O4 | S1 | C9 | H91 | 153.2° | 167.7° |
| O4 | S1 | C9 | H92 | 86.8° | 47.7° |
| O3 | S1 | C9 | C8 | 165.5° | 64.5° |
| O3 | S1 | C9 | H91 | 74.5° | 55.5° |
| O3 | S1 | C9 | H92 | 45.5° | 175.5° |
| S1 | C9 | C8 | H91 | 120.0° | 120.0° |
| S1 | C9 | C8 | H92 | 120.0° | 120.0° |
| S1 | C9 | H91 | H92 | 120.2° | 120.0° |
| S1 | C9 | C8 | C7 | 177.8° | 180.0° |
| S1 | C9 | C8 | H81 | 57.8° | 60.1° |
| S1 | C9 | C8 | H82 | 62.1° | 60.0° |
| C8 | C9 | H91 | H92 | 120.1° | 120.0° |
| C9 | C8 | C7 | H81 | 120.0° | 119.9° |
| C9 | C8 | C7 | H82 | 120.0° | 120.1° |
| C9 | C8 | H81 | H82 | 119.9° | 120.0° |
| C9 | C8 | C7 | H71 | 180.0° | 60.0° |
| C9 | C8 | C7 | H72 | 60.0° | 60.0° |
| C9 | C8 | C7 | H73 | 60.0° | 180.0° |
| H91 | C9 | C8 | C7 | 62.1° | 60.0° |
| H91 | C9 | C8 | H81 | 177.9° | 180.0° |
| H91 | C9 | C8 | H82 | 57.9° | 60.0° |
| H92 | C9 | C8 | C7 | 57.8° | 60.0° |
| H92 | C9 | C8 | H81 | 62.2° | 60.0° |
| H92 | C9 | C8 | H82 | 177.8° | 180.0° |
| C7 | C8 | H81 | H82 | 119.9° | 120.0° |
| C8 | C7 | H71 | H72 | 120.0° | 120.0° |
| C8 | C7 | H71 | H73 | 120.0° | 120.0° |
| C8 | C7 | H72 | H73 | 120.0° | 120.0° |
| H81 | C8 | C7 | H71 | 60.0° | 179.9° |
| H81 | C8 | C7 | H72 | 180.0° | 60.0° |
| H81 | C8 | C7 | H73 | 60.0° | 60.0° |
| H82 | C8 | C7 | H71 | 60.0° | 60.1° |
| H82 | C8 | C7 | H72 | 60.0° | 180.0° |
| H82 | C8 | C7 | H73 | 180.0° | 60.0° |
| H61 | C6 | H62 | H63 | 120.0° | 120.0° |
| H71 | C7 | H72 | H73 | 120.0° | 120.0° |
