6SB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C30 | C24 | sing | 1.53Å | 1.57Å | |
| O06 | S01 | doub | 1.42Å | 1.51Å | |
| C15 | C16 | sing | 1.54Å | 1.73Å | |
| C15 | O02 | sing | 1.43Å | 1.32Å | |
| C15 | C09 | sing | 1.52Å | 1.49Å | |
| C16 | C12 | sing | 1.52Å | 1.51Å | |
| C24 | C29 | sing | 1.53Å | 1.63Å | |
| C24 | C14 | sing | 1.53Å | 1.37Å | |
| C23 | C09 | sing | 1.53Å | 1.53Å | |
| N08 | C33 | sing | 1.46Å | 1.47Å | |
| N08 | C32 | sing | 1.35Å | 1.48Å | |
| C22 | C27 | sing | 1.53Å | 1.53Å | |
| C22 | C13 | sing | 1.53Å | 1.55Å | |
| C29 | C31 | sing | 1.53Å | 1.57Å | |
| C31 | C32 | sing | 1.51Å | 1.57Å | |
| C09 | C14 | sing | 1.53Å | 1.61Å | |
| C09 | C10 | sing | 1.55Å | 1.60Å | |
| C33 | C34 | sing | 1.53Å | 1.54Å | |
| S01 | O05 | doub | 1.42Å | 1.51Å | |
| S01 | O07 | sing | 1.52Å | 1.51Å | |
| S01 | C34 | sing | 1.81Å | 1.82Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C26 | C13 | sing | 1.53Å | 1.54Å | |
| C14 | C20 | sing | 1.55Å | 1.73Å | |
| C32 | O04 | doub | 1.21Å | 1.18Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C12 | C11 | sing | 1.54Å | 1.66Å | |
| C13 | C17 | sing | 1.53Å | 1.56Å | |
| C10 | C11 | sing | 1.52Å | 1.55Å | |
| C10 | C18 | sing | 1.53Å | 1.61Å | |
| C11 | C19 | sing | 1.53Å | 1.50Å | |
| C28 | O03 | sing | 1.43Å | 1.39Å | |
| C28 | C25 | sing | 1.53Å | 1.55Å | |
| C20 | C18 | sing | 1.55Å | 1.56Å | |
| C17 | C25 | sing | 1.53Å | 1.52Å | |
| C17 | C21 | sing | 1.53Å | 1.61Å | |
| C19 | C21 | sing | 1.53Å | 1.60Å | |
| O02 | H021 | sing | 0.97Å | 0.95Å | |
| O03 | H031 | sing | 0.97Å | 0.95Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| O07 | H1 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C30 | C24 | C29 | 108.7° | 109.5° |
| C30 | C24 | C14 | 110.1° | 109.5° |
| C30 | C24 | H241 | 108.5° | 109.5° |
| C24 | C30 | H302 | 109.5° | 109.5° |
| C24 | C30 | H303 | 109.5° | 109.5° |
| C24 | C30 | H301 | 109.5° | 109.5° |
| O06 | S01 | O05 | 101.2° | 121.0° |
| O06 | S01 | O07 | 111.3° | 104.3° |
| O06 | S01 | C34 | 111.3° | 110.5° |
| C16 | C15 | O02 | 108.5° | 109.9° |
| C16 | C15 | C09 | 113.0° | 107.3° |
| C15 | C16 | C12 | 111.1° | 111.4° |
| C16 | C15 | H151 | 106.3° | 109.9° |
| C15 | C16 | H161 | 109.1° | 109.1° |
| C15 | C16 | H162 | 109.0° | 109.1° |
| O02 | C15 | C09 | 108.5° | 109.9° |
| C15 | O02 | H021 | 109.5° | 114.0° |
| O02 | C15 | H151 | 111.6° | 109.9° |
| C15 | C09 | C23 | 104.7° | 109.8° |
| C15 | C09 | C14 | 121.8° | 116.6° |
| C15 | C09 | C10 | 113.1° | 107.4° |
| C09 | C15 | H151 | 109.0° | 110.0° |
| C16 | C12 | C13 | 113.4° | 110.0° |
| C16 | C12 | C11 | 109.1° | 111.5° |
| C16 | C12 | H121 | 107.8° | 108.3° |
| C12 | C16 | H161 | 109.1° | 109.1° |
| C12 | C16 | H162 | 109.1° | 109.1° |
| C29 | C24 | C14 | 110.4° | 109.5° |
| C24 | C29 | C31 | 113.8° | 109.5° |
| C29 | C24 | H241 | 107.8° | 109.5° |
| C24 | C29 | H291 | 108.4° | 109.5° |
| C24 | C29 | H292 | 108.4° | 109.4° |
| C24 | C14 | C09 | 115.4° | 110.2° |
| C24 | C14 | C20 | 110.8° | 110.3° |
| C24 | C14 | H141 | 111.7° | 110.3° |
| C14 | C24 | H241 | 111.3° | 109.5° |
| C23 | C09 | C14 | 108.2° | 109.8° |
| C23 | C09 | C10 | 106.5° | 109.7° |
| C09 | C23 | H233 | 109.5° | 109.4° |
| C09 | C23 | H231 | 109.5° | 109.5° |
| C09 | C23 | H232 | 109.5° | 109.5° |
| C33 | N08 | C32 | 119.2° | 120.0° |
| N08 | C33 | C34 | 109.9° | 109.5° |
| C33 | N08 | H081 | 120.4° | 120.0° |
| N08 | C33 | H332 | 109.3° | 109.5° |
| N08 | C33 | H331 | 109.4° | 109.5° |
| N08 | C32 | C31 | 120.5° | 120.0° |
| N08 | C32 | O04 | 119.6° | 120.0° |
| C32 | N08 | H081 | 120.4° | 120.0° |
| C27 | C22 | C13 | 112.4° | 109.5° |
| C22 | C27 | C28 | 111.6° | 109.5° |
| C27 | C22 | H221 | 108.7° | 109.5° |
| C27 | C22 | H222 | 108.7° | 109.5° |
| C22 | C27 | H272 | 108.9° | 109.5° |
| C22 | C27 | H271 | 108.9° | 109.5° |
| C22 | C13 | C26 | 107.6° | 109.6° |
| C22 | C13 | C12 | 110.3° | 109.4° |
| C22 | C13 | C17 | 110.3° | 109.4° |
| C13 | C22 | H221 | 108.7° | 109.4° |
| C13 | C22 | H222 | 108.8° | 109.5° |
| C29 | C31 | C32 | 111.1° | 109.5° |
| C31 | C29 | H291 | 108.4° | 109.5° |
| C31 | C29 | H292 | 108.4° | 109.5° |
| C29 | C31 | H311 | 109.1° | 109.5° |
| C29 | C31 | H312 | 109.0° | 109.5° |
| C31 | C32 | O04 | 119.9° | 120.0° |
| C32 | C31 | H311 | 109.1° | 109.5° |
| C32 | C31 | H312 | 109.1° | 109.5° |
| C14 | C09 | C10 | 101.8° | 103.3° |
| C09 | C14 | C20 | 102.9° | 105.3° |
| C09 | C14 | H141 | 108.4° | 110.3° |
| C09 | C10 | C11 | 114.8° | 107.0° |
| C09 | C10 | C18 | 105.0° | 101.6° |
| C09 | C10 | H101 | 104.8° | 110.5° |
| C33 | C34 | S01 | 109.8° | 109.5° |
| C34 | C33 | H332 | 109.4° | 109.5° |
| C34 | C33 | H331 | 109.4° | 109.5° |
| C33 | C34 | H341 | 109.4° | 109.5° |
| C33 | C34 | H342 | 109.4° | 109.5° |
| O05 | S01 | O07 | 111.5° | 104.3° |
| O05 | S01 | C34 | 110.9° | 110.6° |
| O07 | S01 | C34 | 110.3° | 104.5° |
| S01 | O07 | H1 | 109.5° | 114.0° |
| S01 | C34 | H341 | 109.4° | 109.5° |
| S01 | C34 | H342 | 109.4° | 109.4° |
| C27 | C28 | O03 | 109.4° | 109.4° |
| C27 | C28 | C25 | 111.4° | 109.5° |
| C28 | C27 | H272 | 108.9° | 109.5° |
| C28 | C27 | H271 | 108.9° | 109.4° |
| C27 | C28 | H281 | 108.4° | 109.5° |
| C26 | C13 | C12 | 109.3° | 109.5° |
| C26 | C13 | C17 | 107.1° | 109.5° |
| C13 | C26 | H263 | 109.5° | 109.5° |
| C13 | C26 | H262 | 109.4° | 109.5° |
| C13 | C26 | H261 | 109.5° | 109.5° |
| C14 | C20 | C18 | 105.5° | 106.4° |
| C20 | C14 | H141 | 107.0° | 110.3° |
| C14 | C20 | H202 | 110.5° | 110.1° |
| C14 | C20 | H201 | 110.5° | 110.1° |
| C13 | C12 | C11 | 112.8° | 109.2° |
| C12 | C13 | C17 | 112.0° | 109.3° |
| C13 | C12 | H121 | 107.2° | 108.9° |
| C12 | C11 | C10 | 111.6° | 107.3° |
| C12 | C11 | C19 | 113.4° | 109.1° |
| C12 | C11 | H111 | 106.0° | 110.6° |
| C11 | C12 | H121 | 106.1° | 108.9° |
| C13 | C17 | C25 | 112.1° | 109.5° |
| C13 | C17 | C21 | 112.1° | 109.5° |
| C13 | C17 | H171 | 108.2° | 109.4° |
| C11 | C10 | C18 | 120.7° | 115.9° |
| C10 | C11 | C19 | 110.5° | 110.4° |
| C11 | C10 | H101 | 105.3° | 110.4° |
| C10 | C11 | H111 | 107.1° | 109.8° |
| C10 | C18 | C20 | 106.4° | 102.9° |
| C18 | C10 | H101 | 104.7° | 111.0° |
| C10 | C18 | H182 | 110.2° | 110.7° |
| C10 | C18 | H181 | 110.3° | 110.7° |
| C11 | C19 | C21 | 111.5° | 109.4° |
| C19 | C11 | H111 | 107.7° | 109.7° |
| C11 | C19 | H192 | 108.9° | 109.5° |
| C11 | C19 | H191 | 108.9° | 109.5° |
| O03 | C28 | C25 | 108.7° | 109.5° |
| C28 | O03 | H031 | 109.5° | 114.1° |
| O03 | C28 | H281 | 110.6° | 109.5° |
| C28 | C25 | C17 | 111.2° | 109.5° |
| C28 | C25 | H251 | 109.0° | 109.4° |
| C28 | C25 | H252 | 109.1° | 109.5° |
| C25 | C28 | H281 | 108.4° | 109.5° |
| C20 | C18 | H182 | 110.2° | 110.7° |
| C20 | C18 | H181 | 110.2° | 110.9° |
| C18 | C20 | H202 | 110.5° | 110.0° |
| C18 | C20 | H201 | 110.4° | 110.1° |
| C25 | C17 | C21 | 108.1° | 109.4° |
| C25 | C17 | H171 | 108.6° | 109.5° |
| C17 | C25 | H251 | 109.1° | 109.5° |
| C17 | C25 | H252 | 109.0° | 109.5° |
| C17 | C21 | C19 | 111.1° | 109.5° |
| C21 | C17 | H171 | 107.6° | 109.5° |
| C17 | C21 | H211 | 109.0° | 109.4° |
| C17 | C21 | H212 | 109.0° | 109.5° |
| C21 | C19 | H192 | 109.0° | 109.5° |
| C21 | C19 | H191 | 109.0° | 109.4° |
| C19 | C21 | H211 | 109.1° | 109.5° |
| C19 | C21 | H212 | 109.0° | 109.5° |
| H161 | C16 | H162 | 109.4° | 109.0° |
| H182 | C18 | H181 | 109.5° | 110.7° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H202 | C20 | H201 | 109.5° | 110.1° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H233 | C23 | H231 | 109.5° | 109.4° |
| H233 | C23 | H232 | 109.4° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.4° | 109.5° |
| H263 | C26 | H262 | 109.5° | 109.5° |
| H263 | C26 | H261 | 109.5° | 109.4° |
| H262 | C26 | H261 | 109.5° | 109.5° |
| H272 | C27 | H271 | 109.4° | 109.5° |
| H291 | C29 | H292 | 109.4° | 109.4° |
| H302 | C30 | H303 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.4° | 109.4° |
| H303 | C30 | H301 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.4° |
| H332 | C33 | H331 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C30 | C24 | C29 | C14 | 120.9° | 120.0° |
| C30 | C24 | C29 | H241 | 117.4° | 120.0° |
| C30 | C24 | C14 | H241 | 120.4° | 120.0° |
| C30 | C24 | C29 | C31 | 59.7° | 65.0° |
| C30 | C24 | C14 | C09 | 65.5° | 66.2° |
| C30 | C24 | C14 | C20 | 178.0° | 177.9° |
| C30 | C24 | C14 | H141 | 58.8° | 55.8° |
| C30 | C24 | C29 | H291 | 60.9° | 175.0° |
| C30 | C24 | C29 | H292 | 179.6° | 55.0° |
| C24 | C30 | H302 | H303 | 120.0° | 120.1° |
| C24 | C30 | H302 | H301 | 120.0° | 120.0° |
| C24 | C30 | H303 | H301 | 120.0° | 120.0° |
| O06 | S01 | C34 | C33 | 2.9° | 68.3° |
| O06 | S01 | O05 | O07 | 118.4° | 116.8° |
| O06 | S01 | O05 | C34 | 118.2° | 131.5° |
| O06 | S01 | O07 | C34 | 124.1° | 116.1° |
| O06 | S01 | C34 | H341 | 122.9° | 51.7° |
| O06 | S01 | C34 | H342 | 117.2° | 171.6° |
| O06 | S01 | O07 | H1 | 0.0° | 63.9° |
| C16 | C15 | O02 | C09 | 123.1° | 117.9° |
| C16 | C15 | O02 | H151 | 116.8° | 121.0° |
| C16 | C15 | C09 | H151 | 118.0° | 119.4° |
| C15 | C16 | C12 | H161 | 120.3° | 120.5° |
| C15 | C16 | C12 | H162 | 120.2° | 120.5° |
| C16 | C15 | C09 | C23 | 68.5° | 54.8° |
| C16 | C15 | C09 | C14 | 168.6° | 179.6° |
| C16 | C15 | C09 | C10 | 47.0° | 64.4° |
| C15 | C16 | C12 | C13 | 177.5° | 176.1° |
| C15 | C16 | C12 | C11 | 55.9° | 54.8° |
| C16 | C15 | O02 | H021 | 180.0° | 60.1° |
| C15 | C16 | C12 | H121 | 59.0° | 65.0° |
| C15 | C16 | H161 | H162 | 119.2° | 119.0° |
| O02 | C15 | C09 | H151 | 121.7° | 121.1° |
| O02 | C15 | C16 | C12 | 66.1° | 62.0° |
| O02 | C15 | C09 | C23 | 171.1° | 174.3° |
| O02 | C15 | C09 | C14 | 48.3° | 60.2° |
| O02 | C15 | C09 | C10 | 73.4° | 55.0° |
| O02 | C15 | C16 | H161 | 173.7° | 58.5° |
| O02 | C15 | C16 | H162 | 54.2° | 177.5° |
| C09 | C15 | C16 | C12 | 54.3° | 57.4° |
| C15 | C09 | C14 | C24 | 76.4° | 94.3° |
| C15 | C09 | C23 | C14 | 131.2° | 129.4° |
| C15 | C09 | C23 | C10 | 120.0° | 117.8° |
| C15 | C09 | C14 | C10 | 126.8° | 117.5° |
| C15 | C09 | C14 | C20 | 162.8° | 146.7° |
| C15 | C09 | C10 | C11 | 49.1° | 69.9° |
| C15 | C09 | C10 | C18 | 176.0° | 168.1° |
| C09 | C15 | O02 | H021 | 56.9° | 177.9° |
| C15 | C09 | C10 | H101 | 65.9° | 50.3° |
| C15 | C09 | C14 | H141 | 49.6° | 27.7° |
| C09 | C15 | C16 | H161 | 66.0° | 178.0° |
| C09 | C15 | C16 | H162 | 174.6° | 63.1° |
| C15 | C09 | C23 | H233 | 180.0° | 63.7° |
| C15 | C09 | C23 | H231 | 60.0° | 56.2° |
| C15 | C09 | C23 | H232 | 60.0° | 176.3° |
| C16 | C12 | C13 | C22 | 62.9° | 56.9° |
| C16 | C12 | C13 | C26 | 55.3° | 63.3° |
| C16 | C12 | C13 | C11 | 124.7° | 122.7° |
| C16 | C12 | C13 | H121 | 118.8° | 118.5° |
| C16 | C12 | C11 | H121 | 115.9° | 119.4° |
| C16 | C12 | C13 | C17 | 173.8° | 176.6° |
| C16 | C12 | C11 | C10 | 57.4° | 58.0° |
| C16 | C12 | C11 | C19 | 177.0° | 177.5° |
| C16 | C12 | C11 | H111 | 59.0° | 61.7° |
| C12 | C16 | C15 | H151 | 173.8° | 177.0° |
| C12 | C16 | H161 | H162 | 119.3° | 119.1° |
| C29 | C24 | C14 | H241 | 119.6° | 120.0° |
| C24 | C29 | C31 | H291 | 120.6° | 120.0° |
| C24 | C29 | C31 | H292 | 120.7° | 120.0° |
| C24 | C29 | C31 | C32 | 178.7° | 180.0° |
| C29 | C24 | C14 | C09 | 174.5° | 173.8° |
| C29 | C24 | C14 | C20 | 58.0° | 57.9° |
| C29 | C24 | C14 | H141 | 61.2° | 64.2° |
| C24 | C29 | H291 | H292 | 118.0° | 119.9° |
| C29 | C24 | C30 | H302 | 180.0° | 179.8° |
| C29 | C24 | C30 | H303 | 60.0° | 60.2° |
| C29 | C24 | C30 | H301 | 60.0° | 59.8° |
| C24 | C29 | C31 | H311 | 58.4° | 60.0° |
| C24 | C29 | C31 | H312 | 61.1° | 60.0° |
| C24 | C14 | C09 | C23 | 44.8° | 31.3° |
| C14 | C24 | C29 | C31 | 61.1° | 175.0° |
| C24 | C14 | C09 | C20 | 120.8° | 118.9° |
| C24 | C14 | C09 | H141 | 126.0° | 122.0° |
| C24 | C14 | C09 | C10 | 156.7° | 148.2° |
| C24 | C14 | C20 | H141 | 122.0° | 122.1° |
| C24 | C14 | C20 | C18 | 140.3° | 122.4° |
| C24 | C14 | C20 | H202 | 100.4° | 118.4° |
| C24 | C14 | C20 | H201 | 20.9° | 3.1° |
| C14 | C24 | C29 | H291 | 178.2° | 54.9° |
| C14 | C24 | C29 | H292 | 59.5° | 65.0° |
| C14 | C24 | C30 | H302 | 59.0° | 59.8° |
| C14 | C24 | C30 | H303 | 179.0° | 179.8° |
| C14 | C24 | C30 | H301 | 61.0° | 60.2° |
| C23 | C09 | C14 | C10 | 111.9° | 116.9° |
| C23 | C09 | C14 | C20 | 76.0° | 87.7° |
| C23 | C09 | C10 | C11 | 65.4° | 49.3° |
| C23 | C09 | C10 | C18 | 69.5° | 72.6° |
| C23 | C09 | C10 | H101 | 179.6° | 169.5° |
| C23 | C09 | C14 | H141 | 170.8° | 153.3° |
| C23 | C09 | C15 | H151 | 49.5° | 64.6° |
| C09 | C23 | H233 | H231 | 120.0° | 119.9° |
| C09 | C23 | H233 | H232 | 120.0° | 120.0° |
| C09 | C23 | H231 | H232 | 120.0° | 120.0° |
| C33 | N08 | C32 | H081 | 180.0° | 179.9° |
| C33 | N08 | C32 | C31 | 179.7° | 180.0° |
| N08 | C33 | C34 | H332 | 120.1° | 120.0° |
| N08 | C33 | C34 | H331 | 120.0° | 120.0° |
| N08 | C33 | C34 | S01 | 82.3° | 180.0° |
| C33 | N08 | C32 | O04 | 0.4° | 0.0° |
| N08 | C33 | H332 | H331 | 119.8° | 120.0° |
| N08 | C33 | C34 | H341 | 157.6° | 60.0° |
| N08 | C33 | C34 | H342 | 37.7° | 60.0° |
| N08 | C32 | C31 | C29 | 128.9° | 180.0° |
| N08 | C32 | C31 | O04 | 179.2° | 180.0° |
| C32 | N08 | C33 | C34 | 92.5° | 180.0° |
| N08 | C32 | C31 | H311 | 110.8° | 60.0° |
| N08 | C32 | C31 | H312 | 8.7° | 60.0° |
| C32 | N08 | C33 | H332 | 147.4° | 60.0° |
| C32 | N08 | C33 | H331 | 27.6° | 60.0° |
| C27 | C22 | C13 | H221 | 120.4° | 120.0° |
| C27 | C22 | C13 | H222 | 120.4° | 120.0° |
| C22 | C27 | C28 | H272 | 120.3° | 120.0° |
| C22 | C27 | C28 | H271 | 120.3° | 120.0° |
| C27 | C22 | C13 | C26 | 170.3° | 179.8° |
| C27 | C22 | C13 | C12 | 70.5° | 59.7° |
| C27 | C22 | C13 | C17 | 53.8° | 60.1° |
| C22 | C27 | C28 | O03 | 174.4° | 180.0° |
| C22 | C27 | C28 | C25 | 54.2° | 60.0° |
| C27 | C22 | H221 | H222 | 118.7° | 120.0° |
| C22 | C27 | H272 | H271 | 119.0° | 120.0° |
| C22 | C27 | C28 | H281 | 64.9° | 60.1° |
| C13 | C22 | C27 | C28 | 54.2° | 60.0° |
| C22 | C13 | C26 | C12 | 119.8° | 120.1° |
| C22 | C13 | C26 | C17 | 118.6° | 120.0° |
| C22 | C13 | C12 | C17 | 123.3° | 119.8° |
| C22 | C13 | C12 | C11 | 172.4° | 179.6° |
| C22 | C13 | C17 | C25 | 54.8° | 60.1° |
| C22 | C13 | C17 | C21 | 176.5° | 180.0° |
| C22 | C13 | C12 | H121 | 56.0° | 61.6° |
| C22 | C13 | C17 | H171 | 65.0° | 59.9° |
| C13 | C22 | H221 | H222 | 118.7° | 120.0° |
| C22 | C13 | C26 | H263 | 180.0° | 60.1° |
| C22 | C13 | C26 | H262 | 60.0° | 59.9° |
| C22 | C13 | C26 | H261 | 60.0° | 179.9° |
| C13 | C22 | C27 | H272 | 174.6° | 179.9° |
| C13 | C22 | C27 | H271 | 66.1° | 59.9° |
| C29 | C31 | C32 | H311 | 120.3° | 120.0° |
| C29 | C31 | C32 | H312 | 120.2° | 120.0° |
| C29 | C31 | C32 | O04 | 50.3° | 0.0° |
| C31 | C29 | C24 | H241 | 177.1° | 55.0° |
| C31 | C29 | H291 | H292 | 118.0° | 120.0° |
| C29 | C31 | H311 | H312 | 119.2° | 120.0° |
| C31 | C32 | N08 | H081 | 0.3° | 0.1° |
| C32 | C31 | C29 | H291 | 60.7° | 60.0° |
| C32 | C31 | C29 | H292 | 58.0° | 60.0° |
| C32 | C31 | H311 | H312 | 119.3° | 120.0° |
| C09 | C14 | C20 | H141 | 114.1° | 119.0° |
| C14 | C09 | C10 | C11 | 178.6° | 166.3° |
| C14 | C09 | C10 | C18 | 43.7° | 44.4° |
| C09 | C14 | C20 | C18 | 16.4° | 3.5° |
| C14 | C09 | C10 | H101 | 66.4° | 73.5° |
| C14 | C09 | C15 | H151 | 73.4° | 60.9° |
| C09 | C14 | C20 | H202 | 135.7° | 122.7° |
| C09 | C14 | C20 | H201 | 103.0° | 115.8° |
| C14 | C09 | C23 | H233 | 48.8° | 65.7° |
| C14 | C09 | C23 | H231 | 71.2° | 174.4° |
| C14 | C09 | C23 | H232 | 168.7° | 54.3° |
| C09 | C14 | C24 | H241 | 54.9° | 53.8° |
| C10 | C09 | C14 | C20 | 35.9° | 29.3° |
| C09 | C10 | C11 | C12 | 52.1° | 64.6° |
| C09 | C10 | C11 | C18 | 127.3° | 112.5° |
| C09 | C10 | C11 | H101 | 114.7° | 120.3° |
| C09 | C10 | C18 | H101 | 110.1° | 117.5° |
| C09 | C10 | C11 | C19 | 179.3° | 176.7° |
| C09 | C10 | C18 | C20 | 33.7° | 41.6° |
| C09 | C10 | C11 | H111 | 63.6° | 55.7° |
| C10 | C09 | C14 | H141 | 77.2° | 89.7° |
| C10 | C09 | C15 | H151 | 165.0° | 176.2° |
| C09 | C10 | C18 | H182 | 85.8° | 76.7° |
| C09 | C10 | C18 | H181 | 153.2° | 160.1° |
| C10 | C09 | C23 | H233 | 59.9° | 178.6° |
| C10 | C09 | C23 | H231 | 180.0° | 61.5° |
| C10 | C09 | C23 | H232 | 60.0° | 58.5° |
| C33 | C34 | S01 | O05 | 109.0° | 68.4° |
| C33 | C34 | S01 | O07 | 127.0° | 180.0° |
| C33 | C34 | S01 | H341 | 120.0° | 120.0° |
| C33 | C34 | S01 | H342 | 120.0° | 120.0° |
| C34 | C33 | N08 | H081 | 87.5° | 0.1° |
| C34 | C33 | H332 | H331 | 119.8° | 120.0° |
| C33 | C34 | H341 | H342 | 119.8° | 120.0° |
| O05 | S01 | O07 | C34 | 123.7° | 116.1° |
| O05 | S01 | C34 | H341 | 11.0° | 171.6° |
| O05 | S01 | C34 | H342 | 131.0° | 51.7° |
| O05 | S01 | O07 | H1 | 112.2° | 63.9° |
| O07 | S01 | C34 | H341 | 113.0° | 60.0° |
| O07 | S01 | C34 | H342 | 6.9° | 60.0° |
| S01 | C34 | C33 | H332 | 37.7° | 60.0° |
| S01 | C34 | C33 | H331 | 157.6° | 60.0° |
| S01 | C34 | H341 | H342 | 119.8° | 119.9° |
| C34 | S01 | O07 | H1 | 124.1° | 180.0° |
| C27 | C28 | O03 | C25 | 121.8° | 120.0° |
| C27 | C28 | O03 | H281 | 119.3° | 120.0° |
| C27 | C28 | C25 | H281 | 119.2° | 120.0° |
| C27 | C28 | C25 | C17 | 55.1° | 60.0° |
| C27 | C28 | O03 | H031 | 180.0° | 60.0° |
| C28 | C27 | C22 | H221 | 174.6° | 60.0° |
| C28 | C27 | C22 | H222 | 66.2° | 180.0° |
| C27 | C28 | C25 | H251 | 175.4° | 60.0° |
| C27 | C28 | C25 | H252 | 65.2° | 180.0° |
| C28 | C27 | H272 | H271 | 119.0° | 120.0° |
| C26 | C13 | C12 | C17 | 118.5° | 120.0° |
| C26 | C13 | C12 | C11 | 69.4° | 59.4° |
| C26 | C13 | C17 | C25 | 171.6° | 179.7° |
| C26 | C13 | C17 | C21 | 66.6° | 59.8° |
| C26 | C13 | C12 | H121 | 174.1° | 178.2° |
| C26 | C13 | C17 | H171 | 51.9° | 60.2° |
| C26 | C13 | C22 | H221 | 69.2° | 60.2° |
| C26 | C13 | C22 | H222 | 49.9° | 59.8° |
| C13 | C26 | H263 | H262 | 120.0° | 120.0° |
| C13 | C26 | H263 | H261 | 120.0° | 120.0° |
| C13 | C26 | H262 | H261 | 120.0° | 120.0° |
| C14 | C20 | C18 | C10 | 10.0° | 23.9° |
| C14 | C20 | C18 | H202 | 119.4° | 119.2° |
| C14 | C20 | C18 | H201 | 119.4° | 119.3° |
| C14 | C20 | C18 | H182 | 109.5° | 94.4° |
| C14 | C20 | C18 | H181 | 129.6° | 142.4° |
| C14 | C20 | H202 | H201 | 121.9° | 121.6° |
| C20 | C14 | C24 | H241 | 61.6° | 62.1° |
| O04 | C32 | N08 | H081 | 179.6° | 179.9° |
| O04 | C32 | C31 | H311 | 69.9° | 119.9° |
| O04 | C32 | C31 | H312 | 170.6° | 120.1° |
| C13 | C12 | C11 | H121 | 117.1° | 118.8° |
| C13 | C12 | C11 | C10 | 175.6° | 179.7° |
| C13 | C12 | C11 | C19 | 50.0° | 60.7° |
| C12 | C13 | C17 | C25 | 68.5° | 59.7° |
| C12 | C13 | C17 | C21 | 53.2° | 60.2° |
| C13 | C12 | C11 | H111 | 68.1° | 60.0° |
| C13 | C12 | C16 | H161 | 62.2° | 63.4° |
| C13 | C12 | C16 | H162 | 57.2° | 55.6° |
| C12 | C13 | C17 | H171 | 171.7° | 179.8° |
| C12 | C13 | C22 | H221 | 50.0° | 179.7° |
| C12 | C13 | C22 | H222 | 169.1° | 60.3° |
| C12 | C13 | C26 | H263 | 60.2° | 60.0° |
| C12 | C13 | C26 | H262 | 59.8° | 180.0° |
| C12 | C13 | C26 | H261 | 179.8° | 60.0° |
| C11 | C12 | C13 | C17 | 49.1° | 60.7° |
| C12 | C11 | C10 | C19 | 127.2° | 118.7° |
| C12 | C11 | C10 | H111 | 115.6° | 120.2° |
| C12 | C11 | C10 | C18 | 179.4° | 177.1° |
| C12 | C11 | C19 | H111 | 117.0° | 121.3° |
| C12 | C11 | C19 | C21 | 52.2° | 60.4° |
| C12 | C11 | C10 | H101 | 62.6° | 55.7° |
| C11 | C12 | C16 | H161 | 64.4° | 175.3° |
| C11 | C12 | C16 | H162 | 176.1° | 65.7° |
| C12 | C11 | C19 | H192 | 68.1° | 59.6° |
| C12 | C11 | C19 | H191 | 172.5° | 179.6° |
| C13 | C17 | C25 | C28 | 55.8° | 60.1° |
| C13 | C17 | C25 | C21 | 124.0° | 119.9° |
| C13 | C17 | C25 | H171 | 119.5° | 120.0° |
| C13 | C17 | C21 | H171 | 118.9° | 120.0° |
| C13 | C17 | C21 | C19 | 55.6° | 59.8° |
| C17 | C13 | C12 | H121 | 67.3° | 58.2° |
| C13 | C17 | C21 | H211 | 64.6° | 60.2° |
| C13 | C17 | C21 | H212 | 175.9° | 179.8° |
| C17 | C13 | C22 | H221 | 174.3° | 59.9° |
| C17 | C13 | C22 | H222 | 66.6° | 179.9° |
| C13 | C17 | C25 | H251 | 176.1° | 59.9° |
| C13 | C17 | C25 | H252 | 64.5° | 179.9° |
| C17 | C13 | C26 | H263 | 61.4° | 179.9° |
| C17 | C13 | C26 | H262 | 178.6° | 60.1° |
| C17 | C13 | C26 | H261 | 58.6° | 59.9° |
| C11 | C10 | C18 | H101 | 118.3° | 127.0° |
| C10 | C11 | C19 | H111 | 116.8° | 121.1° |
| C11 | C10 | C18 | C20 | 165.3° | 157.1° |
| C10 | C11 | C19 | C21 | 178.4° | 178.0° |
| C10 | C11 | C12 | H121 | 58.5° | 61.5° |
| C11 | C10 | C18 | H182 | 45.8° | 38.8° |
| C11 | C10 | C18 | H181 | 75.2° | 84.3° |
| C10 | C11 | C19 | H192 | 58.1° | 58.1° |
| C10 | C11 | C19 | H191 | 61.3° | 62.0° |
| C18 | C10 | C11 | C19 | 53.4° | 64.2° |
| C10 | C18 | C20 | H182 | 119.5° | 118.3° |
| C10 | C18 | C20 | H181 | 119.5° | 118.4° |
| C18 | C10 | C11 | H111 | 63.7° | 56.8° |
| C10 | C18 | H182 | H181 | 121.4° | 123.2° |
| C10 | C18 | C20 | H202 | 109.4° | 95.3° |
| C10 | C18 | C20 | H201 | 129.4° | 143.2° |
| C11 | C19 | C21 | C17 | 55.4° | 60.1° |
| C11 | C19 | C21 | H192 | 120.3° | 120.0° |
| C11 | C19 | C21 | H191 | 120.3° | 120.0° |
| C19 | C11 | C10 | H101 | 64.6° | 63.0° |
| C19 | C11 | C12 | H121 | 67.1° | 58.1° |
| C11 | C19 | H192 | H191 | 119.0° | 120.1° |
| C11 | C19 | C21 | H211 | 64.8° | 59.9° |
| C11 | C19 | C21 | H212 | 175.7° | 179.9° |
| O03 | C28 | C25 | H281 | 120.3° | 120.0° |
| O03 | C28 | C25 | C17 | 175.6° | 179.9° |
| O03 | C28 | C25 | H251 | 64.1° | 60.0° |
| O03 | C28 | C25 | H252 | 55.4° | 60.1° |
| O03 | C28 | C27 | H272 | 65.3° | 60.0° |
| O03 | C28 | C27 | H271 | 54.1° | 60.0° |
| C28 | C25 | C17 | H251 | 120.3° | 119.9° |
| C28 | C25 | C17 | H252 | 120.3° | 120.0° |
| C28 | C25 | C17 | C21 | 179.8° | 180.0° |
| C25 | C28 | O03 | H031 | 58.2° | 180.0° |
| C28 | C25 | C17 | H171 | 63.7° | 59.9° |
| C28 | C25 | H251 | H252 | 119.2° | 120.0° |
| C25 | C28 | C27 | H272 | 174.6° | 180.0° |
| C25 | C28 | C27 | H271 | 66.1° | 60.0° |
| C20 | C18 | C10 | H101 | 76.4° | 75.9° |
| C18 | C20 | C14 | H141 | 97.7° | 115.5° |
| C20 | C18 | H182 | H181 | 121.4° | 123.3° |
| C18 | C20 | H202 | H201 | 121.8° | 121.5° |
| C25 | C17 | C21 | H171 | 117.1° | 120.1° |
| C25 | C17 | C21 | C19 | 68.4° | 60.1° |
| C25 | C17 | C21 | H211 | 171.4° | 179.9° |
| C25 | C17 | C21 | H212 | 51.9° | 59.9° |
| C17 | C25 | H251 | H252 | 119.2° | 120.1° |
| C17 | C25 | C28 | H281 | 64.1° | 60.0° |
| C17 | C21 | C19 | H211 | 120.3° | 120.0° |
| C17 | C21 | C19 | H212 | 120.2° | 120.0° |
| C17 | C21 | C19 | H192 | 64.9° | 59.9° |
| C17 | C21 | C19 | H191 | 175.7° | 180.0° |
| C17 | C21 | H211 | H212 | 119.2° | 120.0° |
| C21 | C17 | C25 | H251 | 59.9° | 60.1° |
| C21 | C17 | C25 | H252 | 59.5° | 60.0° |
| C21 | C19 | C11 | H111 | 64.8° | 60.9° |
| C19 | C21 | C17 | H171 | 174.5° | 179.8° |
| C21 | C19 | H192 | H191 | 119.1° | 120.0° |
| C19 | C21 | H211 | H212 | 119.2° | 120.0° |
| H021 | O02 | C15 | H151 | 63.2° | 60.9° |
| H031 | O03 | C28 | H281 | 60.7° | 59.9° |
| H081 | N08 | C33 | H332 | 32.5° | 120.0° |
| H081 | N08 | C33 | H331 | 152.4° | 119.9° |
| H101 | C10 | C11 | H111 | 178.3° | 176.0° |
| H101 | C10 | C18 | H182 | 164.1° | 165.8° |
| H101 | C10 | C18 | H181 | 43.1° | 42.6° |
| H111 | C11 | C12 | H121 | 174.8° | 178.8° |
| H111 | C11 | C19 | H192 | 174.8° | 179.1° |
| H111 | C11 | C19 | H191 | 55.5° | 59.0° |
| H121 | C12 | C16 | H161 | 179.2° | 55.5° |
| H121 | C12 | C16 | H162 | 61.3° | 174.5° |
| H141 | C14 | C20 | H202 | 21.6° | 3.7° |
| H141 | C14 | C20 | H201 | 142.9° | 125.2° |
| H141 | C14 | C24 | H241 | 179.2° | 175.8° |
| H151 | C15 | C16 | H161 | 53.5° | 62.5° |
| H151 | C15 | C16 | H162 | 65.9° | 56.4° |
| H171 | C17 | C21 | H211 | 54.2° | 59.8° |
| H171 | C17 | C21 | H212 | 65.3° | 60.2° |
| H171 | C17 | C25 | H251 | 56.5° | 179.9° |
| H171 | C17 | C25 | H252 | 176.0° | 60.1° |
| H182 | C18 | C20 | H202 | 131.1° | 146.4° |
| H182 | C18 | C20 | H201 | 9.9° | 24.9° |
| H181 | C18 | C20 | H202 | 10.2° | 23.1° |
| H181 | C18 | C20 | H201 | 111.1° | 98.4° |
| H192 | C19 | C21 | H211 | 174.9° | 179.9° |
| H192 | C19 | C21 | H212 | 55.4° | 60.1° |
| H191 | C19 | C21 | H211 | 55.5° | 60.1° |
| H191 | C19 | C21 | H212 | 64.0° | 60.0° |
| H221 | C22 | C27 | H272 | 65.0° | 60.1° |
| H221 | C22 | C27 | H271 | 54.3° | 179.9° |
| H222 | C22 | C27 | H272 | 54.1° | 59.9° |
| H222 | C22 | C27 | H271 | 173.4° | 60.1° |
| H233 | C23 | H231 | H232 | 120.0° | 120.0° |
| H241 | C24 | C29 | H291 | 56.4° | 65.1° |
| H241 | C24 | C29 | H292 | 62.2° | 175.0° |
| H241 | C24 | C30 | H302 | 63.1° | 60.2° |
| H241 | C24 | C30 | H303 | 56.9° | 59.8° |
| H241 | C24 | C30 | H301 | 176.9° | 179.8° |
| H251 | C25 | C28 | H281 | 56.2° | 180.0° |
| H252 | C25 | C28 | H281 | 175.7° | 60.0° |
| H263 | C26 | H262 | H261 | 120.0° | 120.0° |
| H272 | C27 | C28 | H281 | 55.4° | 60.0° |
| H271 | C27 | C28 | H281 | 174.7° | 180.0° |
| H291 | C29 | C31 | H311 | 179.1° | 180.0° |
| H291 | C29 | C31 | H312 | 59.6° | 60.0° |
| H292 | C29 | C31 | H311 | 62.2° | 60.0° |
| H292 | C29 | C31 | H312 | 178.3° | 180.0° |
| H302 | C30 | H303 | H301 | 120.0° | 119.9° |
| H332 | C33 | C34 | H341 | 82.3° | 60.0° |
| H332 | C33 | C34 | H342 | 157.8° | 180.0° |
| H331 | C33 | C34 | H341 | 37.6° | 180.0° |
| H331 | C33 | C34 | H342 | 82.3° | 60.0° |
