A1H8X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O01 | S02 | doub | 1.42Å | 1.46Å | |
| S02 | C03 | sing | 1.76Å | 1.78Å | |
| S02 | N29 | sing | 1.66Å | 1.68Å | |
| S02 | O35 | doub | 1.42Å | 1.46Å | |
| C03 | C04 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | C06 | doub | 1.39Å | 1.41Å | Aromatic |
| C06 | N07 | sing | 1.40Å | 1.40Å | |
| C06 | C27 | sing | 1.39Å | 1.41Å | Aromatic |
| N07 | C08 | sing | 1.35Å | 1.37Å | |
| C08 | C09 | sing | 1.51Å | 1.54Å | |
| C08 | O26 | doub | 1.21Å | 1.23Å | |
| C09 | C10 | sing | 1.53Å | 1.53Å | |
| C09 | N17 | sing | 1.46Å | 1.46Å | |
| C10 | C11 | sing | 1.51Å | 1.50Å | |
| C11 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| N17 | C18 | sing | 1.35Å | 1.37Å | |
| C18 | C19 | sing | 1.48Å | 1.49Å | |
| C18 | O25 | doub | 1.22Å | 1.24Å | |
| C19 | C20 | doub | 1.40Å | 1.40Å | Aromatic |
| C19 | C24 | sing | 1.40Å | 1.40Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.39Å | 1.39Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.38Å | Aromatic |
| C22 | F36 | sing | 1.35Å | 1.33Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| N29 | C30 | sing | 1.47Å | 1.48Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C30 | C32 | sing | 1.53Å | 1.53Å | |
| C30 | C33 | sing | 1.53Å | 1.55Å | |
| C33 | O34 | sing | 1.43Å | 1.41Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C15 | H151 | sing | 1.08Å | 1.08Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | 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 | |
| N07 | H071 | sing | 0.97Å | 1.00Å | |
| N17 | H171 | sing | 0.97Å | 1.00Å | |
| N29 | H291 | sing | 0.97Å | 1.00Å | |
| O34 | H341 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O01 | S02 | C03 | 104.5° | 106.4° |
| O01 | S02 | N29 | 106.3° | 106.4° |
| O01 | S02 | O35 | 116.6° | 123.2° |
| C03 | S02 | N29 | 111.3° | 107.2° |
| C03 | S02 | O35 | 106.3° | 106.4° |
| S02 | C03 | C04 | 117.3° | 119.9° |
| S02 | C03 | C28 | 121.2° | 119.9° |
| N29 | S02 | O35 | 111.8° | 106.4° |
| S02 | N29 | C30 | 127.0° | 120.0° |
| S02 | N29 | H291 | 104.9° | 120.0° |
| C04 | C03 | C28 | 121.4° | 120.2° |
| C03 | C04 | C05 | 120.2° | 120.0° |
| C03 | C04 | H041 | 119.9° | 120.0° |
| C03 | C28 | C27 | 118.7° | 120.1° |
| C03 | C28 | H281 | 120.6° | 120.0° |
| C04 | C05 | C06 | 119.4° | 120.0° |
| C05 | C04 | H041 | 119.9° | 120.0° |
| C04 | C05 | H051 | 120.3° | 120.0° |
| C05 | C06 | N07 | 124.5° | 120.1° |
| C05 | C06 | C27 | 119.4° | 119.8° |
| C06 | C05 | H051 | 120.3° | 120.0° |
| N07 | C06 | C27 | 116.0° | 120.1° |
| C06 | N07 | C08 | 127.4° | 120.0° |
| C06 | N07 | H071 | 116.3° | 120.0° |
| C06 | C27 | C28 | 120.7° | 119.9° |
| C06 | C27 | H271 | 119.6° | 120.0° |
| N07 | C08 | C09 | 111.8° | 120.0° |
| N07 | C08 | O26 | 128.6° | 120.0° |
| C08 | N07 | H071 | 116.3° | 120.0° |
| C09 | C08 | O26 | 119.6° | 120.0° |
| C08 | C09 | C10 | 110.7° | 109.5° |
| C08 | C09 | N17 | 107.9° | 109.5° |
| C08 | C09 | H091 | 107.9° | 109.4° |
| C10 | C09 | N17 | 113.4° | 109.5° |
| C09 | C10 | C11 | 109.4° | 109.5° |
| C09 | C10 | H101 | 109.5° | 109.4° |
| C09 | C10 | H102 | 109.5° | 109.4° |
| C10 | C09 | H091 | 108.0° | 109.4° |
| C09 | N17 | C18 | 121.4° | 120.0° |
| N17 | C09 | H091 | 108.8° | 109.5° |
| C09 | N17 | H171 | 119.2° | 120.0° |
| C10 | C11 | C12 | 121.6° | 120.0° |
| C10 | C11 | C16 | 118.8° | 120.0° |
| C11 | C10 | H101 | 109.5° | 109.5° |
| C11 | C10 | H102 | 109.5° | 109.5° |
| C12 | C11 | C16 | 119.7° | 120.0° |
| C11 | C12 | C13 | 120.3° | 120.0° |
| C11 | C12 | H121 | 119.9° | 120.0° |
| C11 | C16 | C15 | 119.9° | 120.0° |
| C11 | C16 | H161 | 120.0° | 120.0° |
| C12 | C13 | C14 | 119.7° | 120.0° |
| C13 | C12 | H121 | 119.9° | 120.0° |
| C12 | C13 | H131 | 120.2° | 120.0° |
| C13 | C14 | C15 | 120.4° | 120.0° |
| C14 | C13 | H131 | 120.2° | 120.0° |
| C13 | C14 | H141 | 119.8° | 120.0° |
| C14 | C15 | C16 | 120.1° | 120.0° |
| C15 | C14 | H141 | 119.8° | 120.0° |
| C14 | C15 | H151 | 119.9° | 120.0° |
| C16 | C15 | H151 | 119.9° | 120.0° |
| C15 | C16 | H161 | 120.1° | 120.0° |
| N17 | C18 | C19 | 118.7° | 120.0° |
| N17 | C18 | O25 | 122.4° | 120.0° |
| C18 | N17 | H171 | 119.3° | 120.0° |
| C19 | C18 | O25 | 118.9° | 120.0° |
| C18 | C19 | C20 | 117.0° | 120.1° |
| C18 | C19 | C24 | 122.8° | 120.1° |
| C20 | C19 | C24 | 120.2° | 119.8° |
| C19 | C20 | C21 | 119.1° | 119.9° |
| C19 | C20 | H201 | 120.4° | 120.1° |
| C19 | C24 | C23 | 120.4° | 119.9° |
| C19 | C24 | H241 | 119.8° | 120.1° |
| C20 | C21 | C22 | 119.7° | 120.1° |
| C21 | C20 | H201 | 120.4° | 120.1° |
| C20 | C21 | H211 | 120.1° | 120.0° |
| C21 | C22 | C23 | 121.6° | 120.2° |
| C21 | C22 | F36 | 120.6° | 119.9° |
| C22 | C21 | H211 | 120.2° | 119.9° |
| C23 | C22 | F36 | 117.7° | 119.9° |
| C22 | C23 | C24 | 118.8° | 120.1° |
| C22 | C23 | H231 | 120.6° | 119.9° |
| C24 | C23 | H231 | 120.6° | 119.9° |
| C23 | C24 | H241 | 119.8° | 120.1° |
| C28 | C27 | H271 | 119.7° | 120.0° |
| C27 | C28 | H281 | 120.6° | 120.0° |
| N29 | C30 | C31 | 108.8° | 109.4° |
| N29 | C30 | C32 | 117.0° | 109.5° |
| N29 | C30 | C33 | 103.4° | 109.4° |
| C30 | N29 | H291 | 105.0° | 120.1° |
| C31 | C30 | C32 | 109.0° | 109.5° |
| C31 | C30 | C33 | 112.0° | 109.5° |
| C30 | C31 | H313 | 109.5° | 109.5° |
| C30 | C31 | H311 | 109.5° | 109.5° |
| C30 | C31 | H312 | 109.4° | 109.4° |
| C32 | C30 | C33 | 106.5° | 109.5° |
| C30 | C32 | H322 | 109.5° | 109.5° |
| C30 | C32 | H321 | 109.5° | 109.4° |
| C30 | C32 | H323 | 109.5° | 109.5° |
| C30 | C33 | O34 | 112.8° | 109.5° |
| C30 | C33 | H331 | 108.6° | 109.5° |
| C30 | C33 | H332 | 108.6° | 109.5° |
| O34 | C33 | H331 | 108.7° | 109.4° |
| O34 | C33 | H332 | 108.6° | 109.4° |
| C33 | O34 | H341 | 109.5° | 114.0° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| H313 | C31 | H311 | 109.4° | 109.5° |
| H313 | C31 | H312 | 109.5° | 109.4° |
| H311 | C31 | H312 | 109.5° | 109.4° |
| H322 | C32 | H321 | 109.5° | 109.5° |
| H322 | C32 | H323 | 109.5° | 109.5° |
| H321 | C32 | H323 | 109.5° | 109.4° |
| H331 | C33 | H332 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O01 | S02 | C03 | N29 | 114.3° | 113.5° |
| O01 | S02 | C03 | O35 | 123.8° | 132.9° |
| O01 | S02 | N29 | O35 | 128.2° | 133.0° |
| O01 | S02 | C03 | C04 | 5.3° | 165.7° |
| O01 | S02 | C03 | C28 | 173.1° | 14.0° |
| O01 | S02 | N29 | C30 | 69.3° | 46.9° |
| O01 | S02 | N29 | H291 | 53.0° | 133.2° |
| C03 | S02 | N29 | O35 | 118.6° | 113.5° |
| S02 | C03 | C04 | C28 | 178.5° | 179.8° |
| S02 | C03 | C04 | C05 | 179.6° | 179.7° |
| S02 | C03 | C28 | C27 | 178.9° | 179.7° |
| C03 | S02 | N29 | C30 | 43.8° | 66.6° |
| S02 | C03 | C04 | H041 | 0.4° | 0.2° |
| S02 | C03 | C28 | H281 | 1.1° | 0.2° |
| C03 | S02 | N29 | H291 | 166.1° | 113.3° |
| N29 | S02 | C03 | C04 | 109.0° | 80.7° |
| N29 | S02 | C03 | C28 | 72.6° | 99.5° |
| S02 | N29 | C30 | H291 | 122.3° | 179.9° |
| S02 | N29 | C30 | C31 | 89.2° | 68.3° |
| S02 | N29 | C30 | C32 | 34.8° | 51.8° |
| S02 | N29 | C30 | C33 | 151.5° | 171.8° |
| O35 | S02 | C03 | C04 | 129.1° | 32.8° |
| O35 | S02 | C03 | C28 | 49.3° | 147.0° |
| O35 | S02 | N29 | C30 | 162.5° | 179.8° |
| O35 | S02 | N29 | H291 | 75.2° | 0.2° |
| C03 | C04 | C05 | H041 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 0.6° | 0.1° |
| C04 | C03 | C28 | C27 | 0.5° | 0.1° |
| C03 | C04 | C05 | H051 | 179.4° | 179.9° |
| C04 | C03 | C28 | H281 | 179.5° | 180.0° |
| C28 | C03 | C04 | C05 | 1.1° | 0.1° |
| C03 | C28 | C27 | C06 | 0.7° | 0.1° |
| C03 | C28 | C27 | H281 | 180.0° | 179.9° |
| C28 | C03 | C04 | H041 | 178.9° | 180.0° |
| C03 | C28 | C27 | H271 | 179.3° | 180.0° |
| C04 | C05 | C06 | H051 | 180.0° | 179.9° |
| C04 | C05 | C06 | N07 | 177.4° | 179.9° |
| C04 | C05 | C06 | C27 | 0.6° | 0.1° |
| C05 | C06 | N07 | C27 | 176.9° | 180.0° |
| C05 | C06 | N07 | C08 | 37.3° | 32.4° |
| C05 | C06 | C27 | C28 | 1.2° | 0.1° |
| C06 | C05 | C04 | H041 | 179.4° | 180.0° |
| C05 | C06 | C27 | H271 | 178.8° | 180.0° |
| C05 | C06 | N07 | H071 | 142.7° | 147.6° |
| C06 | N07 | C08 | H071 | 180.0° | 179.9° |
| C06 | N07 | C08 | C09 | 177.2° | 174.1° |
| C06 | N07 | C08 | O26 | 1.2° | 5.9° |
| N07 | C06 | C27 | C28 | 178.4° | 179.9° |
| N07 | C06 | C05 | H051 | 2.6° | 0.0° |
| N07 | C06 | C27 | H271 | 1.6° | 0.1° |
| C27 | C06 | N07 | C08 | 139.7° | 147.6° |
| C06 | C27 | C28 | H271 | 180.0° | 180.0° |
| C27 | C06 | C05 | H051 | 179.5° | 179.9° |
| C06 | C27 | C28 | H281 | 179.3° | 179.9° |
| C27 | C06 | N07 | H071 | 40.3° | 32.3° |
| N07 | C08 | C09 | O26 | 178.6° | 180.0° |
| N07 | C08 | C09 | C10 | 86.8° | 60.0° |
| N07 | C08 | C09 | N17 | 148.5° | 180.0° |
| N07 | C08 | C09 | H091 | 31.1° | 60.0° |
| C08 | C09 | C10 | N17 | 121.4° | 120.0° |
| C08 | C09 | C10 | H091 | 117.9° | 120.0° |
| C08 | C09 | N17 | H091 | 116.8° | 120.0° |
| C08 | C09 | C10 | C11 | 171.1° | 175.0° |
| C08 | C09 | N17 | C18 | 68.0° | 155.0° |
| C08 | C09 | C10 | H101 | 68.9° | 54.9° |
| C08 | C09 | C10 | H102 | 51.1° | 65.0° |
| C09 | C08 | N07 | H071 | 2.8° | 5.9° |
| C08 | C09 | N17 | H171 | 112.0° | 25.0° |
| O26 | C08 | C09 | C10 | 94.5° | 120.0° |
| O26 | C08 | C09 | N17 | 30.1° | 0.0° |
| O26 | C08 | C09 | H091 | 147.5° | 120.0° |
| O26 | C08 | N07 | H071 | 178.8° | 174.1° |
| C10 | C09 | N17 | H091 | 120.2° | 120.0° |
| C09 | C10 | C11 | H101 | 120.0° | 120.0° |
| C09 | C10 | C11 | H102 | 120.0° | 120.0° |
| C09 | C10 | C11 | C12 | 95.8° | 90.0° |
| C09 | C10 | C11 | C16 | 83.4° | 90.3° |
| C10 | C09 | N17 | C18 | 168.9° | 85.0° |
| C09 | C10 | H101 | H102 | 120.0° | 119.9° |
| C10 | C09 | N17 | H171 | 11.0° | 95.1° |
| N17 | C09 | C10 | C11 | 67.5° | 65.0° |
| C09 | N17 | C18 | H171 | 180.0° | 180.0° |
| C09 | N17 | C18 | C19 | 178.8° | 180.0° |
| C09 | N17 | C18 | O25 | 0.4° | 0.0° |
| N17 | C09 | C10 | H101 | 52.5° | 174.9° |
| N17 | C09 | C10 | H102 | 172.6° | 55.0° |
| C10 | C11 | C12 | C16 | 179.2° | 179.8° |
| C10 | C11 | C12 | C13 | 179.8° | 180.0° |
| C10 | C11 | C16 | C15 | 179.7° | 179.8° |
| C11 | C10 | H101 | H102 | 120.1° | 120.0° |
| C10 | C11 | C12 | H121 | 0.2° | 0.0° |
| C10 | C11 | C16 | H161 | 0.3° | 0.0° |
| C11 | C10 | C09 | H091 | 53.2° | 55.0° |
| C11 | C12 | C13 | H121 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.3° | 0.1° |
| C12 | C11 | C16 | C15 | 0.5° | 0.5° |
| C12 | C11 | C10 | H101 | 24.2° | 150.0° |
| C12 | C11 | C10 | H102 | 144.3° | 30.0° |
| C11 | C12 | C13 | H131 | 179.7° | 180.0° |
| C12 | C11 | C16 | H161 | 179.5° | 179.7° |
| C16 | C11 | C12 | C13 | 0.6° | 0.3° |
| C11 | C16 | C15 | C14 | 0.0° | 0.4° |
| C11 | C16 | C15 | H161 | 180.0° | 179.8° |
| C16 | C11 | C10 | H101 | 156.6° | 29.7° |
| C16 | C11 | C10 | H102 | 36.6° | 149.7° |
| C16 | C11 | C12 | H121 | 179.4° | 179.7° |
| C11 | C16 | C15 | H151 | 180.0° | 179.7° |
| C12 | C13 | C14 | H131 | 180.0° | 179.9° |
| C12 | C13 | C14 | C15 | 0.2° | 0.0° |
| C12 | C13 | C14 | H141 | 179.8° | 179.9° |
| C13 | C14 | C15 | H141 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.3° | 0.2° |
| C14 | C13 | C12 | H121 | 179.7° | 180.0° |
| C13 | C14 | C15 | H151 | 179.6° | 179.9° |
| C14 | C15 | C16 | H151 | 180.0° | 179.9° |
| C15 | C14 | C13 | H131 | 179.8° | 180.0° |
| C14 | C15 | C16 | H161 | 180.0° | 179.8° |
| C16 | C15 | C14 | H141 | 179.6° | 179.9° |
| N17 | C18 | C19 | O25 | 179.3° | 180.0° |
| N17 | C18 | C19 | C20 | 178.1° | 180.0° |
| N17 | C18 | C19 | C24 | 3.5° | 0.3° |
| C18 | N17 | C09 | H091 | 48.7° | 35.0° |
| C18 | C19 | C20 | C24 | 178.5° | 179.7° |
| C18 | C19 | C20 | C21 | 179.3° | 180.0° |
| C18 | C19 | C24 | C23 | 178.4° | 179.7° |
| C18 | C19 | C20 | H201 | 0.8° | 0.0° |
| C18 | C19 | C24 | H241 | 1.6° | 0.0° |
| C19 | C18 | N17 | H171 | 1.2° | 0.0° |
| O25 | C18 | C19 | C20 | 2.6° | 0.0° |
| O25 | C18 | C19 | C24 | 175.8° | 179.8° |
| O25 | C18 | N17 | H171 | 179.5° | 180.0° |
| C19 | C20 | C21 | H201 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.3° | 0.1° |
| C20 | C19 | C24 | C23 | 3.2° | 0.5° |
| C19 | C20 | C21 | H211 | 179.8° | 180.0° |
| C20 | C19 | C24 | H241 | 176.8° | 179.7° |
| C24 | C19 | C20 | C21 | 0.8° | 0.2° |
| C19 | C24 | C23 | C22 | 5.0° | 0.5° |
| C19 | C24 | C23 | H241 | 180.0° | 179.8° |
| C24 | C19 | C20 | H201 | 179.2° | 179.8° |
| C19 | C24 | C23 | H231 | 175.0° | 179.8° |
| C20 | C21 | C22 | H211 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 2.2° | 0.1° |
| C20 | C21 | C22 | F36 | 179.7° | 180.0° |
| C21 | C22 | C23 | F36 | 177.6° | 179.9° |
| C21 | C22 | C23 | C24 | 4.5° | 0.2° |
| C22 | C21 | C20 | H201 | 179.8° | 179.9° |
| C21 | C22 | C23 | H231 | 175.5° | 179.9° |
| C22 | C23 | C24 | H231 | 180.0° | 179.7° |
| C23 | C22 | C21 | H211 | 177.8° | 180.0° |
| C22 | C23 | C24 | H241 | 175.0° | 179.7° |
| F36 | C22 | C23 | C24 | 177.9° | 179.7° |
| F36 | C22 | C21 | H211 | 0.3° | 0.0° |
| F36 | C22 | C23 | H231 | 2.1° | 0.0° |
| N29 | C30 | C31 | C32 | 128.7° | 120.0° |
| N29 | C30 | C31 | C33 | 113.8° | 119.9° |
| N29 | C30 | C32 | C33 | 115.0° | 120.0° |
| N29 | C30 | C33 | O34 | 159.5° | 180.0° |
| N29 | C30 | C31 | H313 | 180.0° | 67.5° |
| N29 | C30 | C31 | H311 | 60.0° | 52.6° |
| N29 | C30 | C31 | H312 | 60.0° | 172.5° |
| N29 | C30 | C32 | H322 | 180.0° | 170.8° |
| N29 | C30 | C32 | H321 | 60.0° | 50.8° |
| N29 | C30 | C32 | H323 | 60.0° | 69.2° |
| N29 | C30 | C33 | H331 | 39.0° | 60.0° |
| N29 | C30 | C33 | H332 | 80.0° | 60.1° |
| C31 | C30 | C32 | C33 | 121.1° | 120.0° |
| C31 | C30 | C33 | O34 | 83.4° | 60.1° |
| C30 | C31 | H313 | H311 | 120.0° | 120.1° |
| C30 | C31 | H313 | H312 | 120.0° | 119.9° |
| C30 | C31 | H311 | H312 | 120.0° | 119.9° |
| C31 | C30 | C32 | H322 | 56.0° | 69.3° |
| C31 | C30 | C32 | H321 | 64.0° | 170.7° |
| C31 | C30 | C32 | H323 | 176.1° | 50.8° |
| C31 | C30 | C33 | H331 | 156.1° | 59.9° |
| C31 | C30 | C33 | H332 | 37.1° | 180.0° |
| C31 | C30 | N29 | H291 | 148.5° | 111.8° |
| C32 | C30 | C33 | O34 | 35.7° | 60.0° |
| C32 | C30 | C31 | H313 | 51.3° | 52.5° |
| C32 | C30 | C31 | H311 | 171.3° | 172.6° |
| C32 | C30 | C31 | H312 | 68.7° | 67.4° |
| C30 | C32 | H322 | H321 | 120.0° | 120.0° |
| C30 | C32 | H322 | H323 | 120.0° | 120.0° |
| C30 | C32 | H321 | H323 | 120.0° | 120.0° |
| C32 | C30 | C33 | H331 | 84.8° | 180.0° |
| C32 | C30 | C33 | H332 | 156.2° | 60.0° |
| C32 | C30 | N29 | H291 | 87.5° | 128.2° |
| C30 | C33 | O34 | H331 | 120.5° | 120.0° |
| C30 | C33 | O34 | H332 | 120.5° | 120.0° |
| C33 | C30 | C31 | H313 | 66.2° | 172.6° |
| C33 | C30 | C31 | H311 | 53.8° | 67.3° |
| C33 | C30 | C31 | H312 | 173.8° | 52.6° |
| C33 | C30 | C32 | H322 | 65.0° | 50.8° |
| C33 | C30 | C32 | H321 | 175.0° | 69.2° |
| C33 | C30 | C32 | H323 | 55.0° | 170.9° |
| C30 | C33 | H331 | H332 | 118.5° | 120.1° |
| C33 | C30 | N29 | H291 | 29.2° | 8.2° |
| C30 | C33 | O34 | H341 | 180.0° | 180.0° |
| O34 | C33 | H331 | H332 | 118.5° | 119.9° |
| H101 | C10 | C09 | H091 | 173.1° | 65.1° |
| H102 | C10 | C09 | H091 | 66.8° | 175.0° |
| H121 | C12 | C13 | H131 | 0.3° | 0.0° |
| H131 | C13 | C14 | H141 | 0.2° | 0.1° |
| H141 | C14 | C15 | H151 | 0.4° | 0.0° |
| H151 | C15 | C16 | H161 | 0.0° | 0.1° |
| H201 | C20 | C21 | H211 | 0.2° | 0.0° |
| H231 | C23 | C24 | H241 | 5.0° | 0.0° |
| H041 | C04 | C05 | H051 | 0.6° | 0.1° |
| H091 | C09 | N17 | H171 | 131.2° | 145.0° |
| H271 | C27 | C28 | H281 | 0.7° | 0.1° |
| H313 | C31 | H311 | H312 | 120.0° | 120.0° |
| H322 | C32 | H321 | H323 | 120.0° | 120.0° |
| H331 | C33 | O34 | H341 | 59.5° | 60.0° |
| H332 | C33 | O34 | H341 | 59.5° | 60.0° |
