A1A8R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.53Å | 1.55Å | |
| C37 | C36 | sing | 1.53Å | 1.54Å | |
| C36 | C35 | sing | 1.53Å | 1.56Å | |
| C15 | C14 | sing | 1.53Å | 1.56Å | |
| C35 | C34 | sing | 1.53Å | 1.57Å | |
| C14 | C13 | sing | 1.53Å | 1.57Å | |
| C34 | C33 | sing | 1.53Å | 1.57Å | |
| C33 | C32 | sing | 1.53Å | 1.58Å | |
| C13 | C12 | sing | 1.53Å | 1.58Å | |
| C32 | C31 | sing | 1.53Å | 1.56Å | |
| C12 | C11 | sing | 1.53Å | 1.57Å | |
| C31 | C30 | sing | 1.53Å | 1.65Å | |
| C11 | C10 | sing | 1.53Å | 1.58Å | |
| C30 | C29 | sing | 1.51Å | 1.53Å | |
| C10 | C09 | sing | 1.53Å | 1.55Å | |
| C29 | C28 | doub | 1.31Å | 1.34Å | |
| C09 | C08 | sing | 1.53Å | 1.57Å | |
| C28 | C27 | sing | 1.51Å | 1.52Å | |
| C08 | C07 | sing | 1.53Å | 1.55Å | |
| C07 | C06 | sing | 1.53Å | 1.56Å | |
| C27 | C26 | sing | 1.53Å | 1.58Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C06 | C05 | sing | 1.53Å | 1.55Å | |
| C05 | C04 | sing | 1.53Å | 1.56Å | |
| C04 | C03 | sing | 1.51Å | 1.55Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C24 | C23 | sing | 1.53Å | 1.56Å | |
| C03 | C02 | doub | 1.31Å | 1.34Å | |
| C23 | C22 | sing | 1.53Å | 1.57Å | |
| C02 | C01 | sing | 1.51Å | 1.54Å | |
| C22 | C21 | sing | 1.53Å | 1.56Å | |
| O17 | C01 | sing | 1.43Å | 1.44Å | |
| C01 | C18 | sing | 1.53Å | 1.55Å | |
| N19 | C18 | sing | 1.46Å | 1.47Å | |
| N19 | C20 | sing | 1.35Å | 1.46Å | |
| C21 | C20 | sing | 1.51Å | 1.54Å | |
| C18 | C39 | sing | 1.53Å | 1.59Å | |
| C20 | O38 | doub | 1.21Å | 1.20Å | |
| C39 | O40 | sing | 1.43Å | 1.39Å | |
| O40 | P41 | sing | 1.61Å | 1.69Å | |
| O50 | P41 | doub | 1.48Å | 1.50Å | |
| P41 | O42 | sing | 1.61Å | 1.54Å | |
| P41 | O43 | sing | 1.61Å | 1.77Å | |
| O43 | C44 | sing | 1.43Å | 1.34Å | |
| C49 | N46 | sing | 1.47Å | 1.52Å | |
| C44 | C45 | sing | 1.53Å | 1.58Å | |
| C45 | N46 | sing | 1.47Å | 1.56Å | |
| N46 | C48 | sing | 1.47Å | 1.51Å | |
| N46 | C47 | sing | 1.47Å | 1.51Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.08Å | 1.08Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H4 | sing | 1.08Å | 1.08Å | |
| C30 | H302 | 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 | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C45 | H452 | sing | 1.09Å | 1.10Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C47 | H473 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C48 | H483 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H493 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| N19 | H191 | sing | 0.97Å | 1.00Å | |
| O17 | H171 | sing | 0.97Å | 0.95Å | |
| O42 | H5 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | C14 | 115.9° | 109.5° |
| C16 | C15 | H152 | 107.8° | 109.5° |
| C16 | C15 | H151 | 107.8° | 109.5° |
| C15 | C16 | H162 | 109.5° | 109.5° |
| C15 | C16 | H163 | 109.4° | 109.5° |
| C15 | C16 | H161 | 109.5° | 109.5° |
| C37 | C36 | C35 | 115.8° | 109.5° |
| C37 | C36 | H362 | 107.9° | 109.4° |
| C37 | C36 | H361 | 107.9° | 109.5° |
| C36 | C37 | H371 | 109.5° | 109.4° |
| C36 | C37 | H373 | 109.5° | 109.5° |
| C36 | C37 | H372 | 109.5° | 109.4° |
| C36 | C35 | C34 | 117.3° | 109.4° |
| C36 | C35 | H351 | 107.5° | 109.4° |
| C36 | C35 | H352 | 107.5° | 109.4° |
| C35 | C36 | H362 | 107.9° | 109.5° |
| C35 | C36 | H361 | 107.9° | 109.5° |
| C15 | C14 | C13 | 117.0° | 109.5° |
| C14 | C15 | H152 | 107.8° | 109.4° |
| C14 | C15 | H151 | 107.8° | 109.5° |
| C15 | C14 | H142 | 107.6° | 109.5° |
| C15 | C14 | H141 | 107.6° | 109.5° |
| C35 | C34 | C33 | 117.7° | 109.4° |
| C35 | C34 | H342 | 107.4° | 109.5° |
| C35 | C34 | H341 | 107.4° | 109.4° |
| C34 | C35 | H351 | 107.5° | 109.5° |
| C34 | C35 | H352 | 107.5° | 109.5° |
| C14 | C13 | C12 | 117.2° | 109.5° |
| C14 | C13 | H131 | 107.5° | 109.5° |
| C14 | C13 | H132 | 107.5° | 109.4° |
| C13 | C14 | H142 | 107.5° | 109.5° |
| C13 | C14 | H141 | 107.6° | 109.4° |
| C34 | C33 | C32 | 117.3° | 109.5° |
| C34 | C33 | H332 | 107.5° | 109.5° |
| C34 | C33 | H331 | 107.5° | 109.5° |
| C33 | C34 | H342 | 107.4° | 109.5° |
| C33 | C34 | H341 | 107.4° | 109.4° |
| C33 | C32 | C31 | 116.6° | 109.5° |
| C33 | C32 | H322 | 107.7° | 109.4° |
| C33 | C32 | H321 | 107.6° | 109.4° |
| C32 | C33 | H332 | 107.5° | 109.5° |
| C32 | C33 | H331 | 107.5° | 109.5° |
| C13 | C12 | C11 | 117.8° | 109.5° |
| C12 | C13 | H131 | 107.5° | 109.5° |
| C12 | C13 | H132 | 107.5° | 109.5° |
| C13 | C12 | H121 | 107.3° | 109.5° |
| C13 | C12 | H122 | 107.4° | 109.5° |
| C32 | C31 | C30 | 117.6° | 109.4° |
| C32 | C31 | H311 | 107.4° | 109.5° |
| C32 | C31 | H312 | 107.4° | 109.4° |
| C31 | C32 | H322 | 107.6° | 109.5° |
| C31 | C32 | H321 | 107.7° | 109.5° |
| C12 | C11 | C10 | 117.4° | 109.5° |
| C12 | C11 | H111 | 107.5° | 109.4° |
| C12 | C11 | H112 | 107.5° | 109.5° |
| C11 | C12 | H121 | 107.3° | 109.5° |
| C11 | C12 | H122 | 107.3° | 109.4° |
| C31 | C30 | C29 | 104.4° | 109.4° |
| C31 | C30 | H302 | 110.7° | 109.5° |
| C31 | C30 | H301 | 110.7° | 109.4° |
| C30 | C31 | H311 | 107.4° | 109.5° |
| C30 | C31 | H312 | 107.4° | 109.5° |
| C11 | C10 | C09 | 117.2° | 109.5° |
| C11 | C10 | H101 | 107.5° | 109.4° |
| C11 | C10 | H102 | 107.5° | 109.4° |
| C10 | C11 | H111 | 107.4° | 109.5° |
| C10 | C11 | H112 | 107.4° | 109.5° |
| C30 | C29 | C28 | 161.5° | 120.0° |
| C30 | C29 | H4 | 99.3° | 119.9° |
| C29 | C30 | H302 | 110.7° | 109.5° |
| C29 | C30 | H301 | 110.7° | 109.4° |
| C10 | C09 | C08 | 117.5° | 109.5° |
| C09 | C10 | H101 | 107.5° | 109.6° |
| C09 | C10 | H102 | 107.5° | 109.5° |
| C10 | C09 | H092 | 107.4° | 109.5° |
| C10 | C09 | H091 | 107.4° | 109.5° |
| C29 | C28 | C27 | 171.2° | 120.0° |
| C29 | C28 | H281 | 94.4° | 120.0° |
| C28 | C29 | H4 | 99.2° | 120.0° |
| C09 | C08 | C07 | 116.5° | 109.4° |
| C09 | C08 | H081 | 107.7° | 109.5° |
| C09 | C08 | H082 | 107.7° | 109.4° |
| C08 | C09 | H092 | 107.4° | 109.4° |
| C08 | C09 | H091 | 107.4° | 109.5° |
| C28 | C27 | C26 | 110.7° | 109.5° |
| C27 | C28 | H281 | 94.4° | 120.0° |
| C28 | C27 | H272 | 109.2° | 109.5° |
| C28 | C27 | H271 | 109.2° | 109.5° |
| C08 | C07 | C06 | 115.9° | 109.4° |
| C08 | C07 | H071 | 107.8° | 109.5° |
| C08 | C07 | H072 | 107.9° | 109.5° |
| C07 | C08 | H081 | 107.7° | 109.5° |
| C07 | C08 | H082 | 107.7° | 109.5° |
| C07 | C06 | C05 | 113.9° | 109.5° |
| C07 | C06 | H062 | 108.3° | 109.5° |
| C07 | C06 | H061 | 108.4° | 109.5° |
| C06 | C07 | H071 | 107.9° | 109.4° |
| C06 | C07 | H072 | 107.8° | 109.4° |
| C27 | C26 | C25 | 113.1° | 109.5° |
| C27 | C26 | H261 | 108.6° | 109.5° |
| C27 | C26 | H262 | 108.6° | 109.4° |
| C26 | C27 | H272 | 109.1° | 109.5° |
| C26 | C27 | H271 | 109.1° | 109.5° |
| C26 | C25 | C24 | 116.1° | 109.4° |
| C25 | C26 | H261 | 108.6° | 109.5° |
| C25 | C26 | H262 | 108.5° | 109.5° |
| C26 | C25 | H251 | 107.8° | 109.5° |
| C26 | C25 | H252 | 107.8° | 109.5° |
| C06 | C05 | C04 | 118.4° | 109.5° |
| C06 | C05 | H052 | 107.2° | 109.4° |
| C06 | C05 | H051 | 107.2° | 109.5° |
| C05 | C06 | H062 | 108.4° | 109.4° |
| C05 | C06 | H061 | 108.4° | 109.5° |
| C05 | C04 | C03 | 116.6° | 109.5° |
| C05 | C04 | H041 | 107.7° | 109.5° |
| C05 | C04 | H042 | 107.7° | 109.5° |
| C04 | C05 | H052 | 107.2° | 109.5° |
| C04 | C05 | H051 | 107.2° | 109.5° |
| C04 | C03 | C02 | 166.6° | 120.0° |
| C04 | C03 | H3 | 96.7° | 120.0° |
| C03 | C04 | H041 | 107.7° | 109.5° |
| C03 | C04 | H042 | 107.7° | 109.4° |
| C25 | C24 | C23 | 115.6° | 109.4° |
| C25 | C24 | H241 | 107.9° | 109.5° |
| C25 | C24 | H242 | 107.9° | 109.5° |
| C24 | C25 | H251 | 107.8° | 109.5° |
| C24 | C25 | H252 | 107.8° | 109.5° |
| C24 | C23 | C22 | 116.5° | 109.4° |
| C23 | C24 | H241 | 107.9° | 109.5° |
| C23 | C24 | H242 | 107.9° | 109.5° |
| C24 | C23 | H232 | 107.7° | 109.5° |
| C24 | C23 | H231 | 107.7° | 109.5° |
| C03 | C02 | C01 | 168.8° | 120.0° |
| C03 | C02 | H2 | 95.6° | 120.0° |
| C02 | C03 | H3 | 96.7° | 120.0° |
| C23 | C22 | C21 | 117.4° | 109.4° |
| C23 | C22 | H221 | 107.5° | 109.5° |
| C23 | C22 | H222 | 107.5° | 109.5° |
| C22 | C23 | H232 | 107.7° | 109.5° |
| C22 | C23 | H231 | 107.7° | 109.5° |
| C02 | C01 | O17 | 96.7° | 109.5° |
| C02 | C01 | C18 | 117.9° | 109.5° |
| C02 | C01 | H011 | 111.4° | 109.5° |
| C01 | C02 | H2 | 95.6° | 120.0° |
| C22 | C21 | C20 | 114.5° | 109.5° |
| C22 | C21 | H212 | 108.2° | 109.5° |
| C22 | C21 | H211 | 108.2° | 109.5° |
| C21 | C22 | H221 | 107.5° | 109.5° |
| C21 | C22 | H222 | 107.5° | 109.5° |
| O17 | C01 | C18 | 105.5° | 109.5° |
| O17 | C01 | H011 | 113.0° | 109.5° |
| C01 | O17 | H171 | 109.5° | 114.0° |
| C01 | C18 | N19 | 108.5° | 109.5° |
| C01 | C18 | C39 | 111.4° | 109.5° |
| C18 | C01 | H011 | 111.3° | 109.5° |
| C01 | C18 | H181 | 108.6° | 109.5° |
| C18 | N19 | C20 | 123.8° | 120.0° |
| N19 | C18 | C39 | 110.7° | 109.5° |
| N19 | C18 | H181 | 109.6° | 109.5° |
| C18 | N19 | H191 | 118.1° | 120.0° |
| N19 | C20 | C21 | 119.4° | 120.0° |
| N19 | C20 | O38 | 119.5° | 120.0° |
| C20 | N19 | H191 | 118.1° | 120.0° |
| C21 | C20 | O38 | 121.1° | 120.0° |
| C20 | C21 | H212 | 108.2° | 109.5° |
| C20 | C21 | H211 | 108.2° | 109.5° |
| C18 | C39 | O40 | 113.3° | 109.5° |
| C39 | C18 | H181 | 108.1° | 109.4° |
| C18 | C39 | H391 | 108.5° | 109.5° |
| C18 | C39 | H392 | 108.5° | 109.5° |
| C39 | O40 | P41 | 124.2° | 123.0° |
| O40 | C39 | H391 | 108.5° | 109.5° |
| O40 | C39 | H392 | 108.5° | 109.5° |
| O40 | P41 | O50 | 109.4° | 109.5° |
| O40 | P41 | O42 | 110.3° | 109.5° |
| O40 | P41 | O43 | 109.2° | 109.5° |
| O50 | P41 | O42 | 121.3° | 109.5° |
| O50 | P41 | O43 | 103.0° | 109.4° |
| O42 | P41 | O43 | 102.7° | 109.5° |
| P41 | O42 | H5 | 109.5° | 114.0° |
| P41 | O43 | C44 | 124.5° | 123.0° |
| O43 | C44 | C45 | 114.7° | 109.5° |
| O43 | C44 | H441 | 108.1° | 109.4° |
| O43 | C44 | H442 | 108.1° | 109.5° |
| C49 | N46 | C45 | 112.2° | 109.5° |
| C49 | N46 | C48 | 112.9° | 109.4° |
| C49 | N46 | C47 | 107.6° | 109.5° |
| N46 | C49 | H491 | 109.5° | 109.4° |
| N46 | C49 | H493 | 109.5° | 109.5° |
| N46 | C49 | H492 | 109.5° | 109.5° |
| C44 | C45 | N46 | 114.6° | 109.5° |
| C45 | C44 | H441 | 108.1° | 109.5° |
| C45 | C44 | H442 | 108.2° | 109.5° |
| C44 | C45 | H451 | 108.2° | 109.5° |
| C44 | C45 | H452 | 108.2° | 109.5° |
| C45 | N46 | C48 | 105.2° | 109.5° |
| C45 | N46 | C47 | 110.3° | 109.5° |
| N46 | C45 | H451 | 108.2° | 109.5° |
| N46 | C45 | H452 | 108.2° | 109.4° |
| C48 | N46 | C47 | 108.5° | 109.5° |
| N46 | C48 | H481 | 109.5° | 109.4° |
| N46 | C48 | H482 | 109.5° | 109.5° |
| N46 | C48 | H483 | 109.5° | 109.5° |
| N46 | C47 | H472 | 109.5° | 109.5° |
| N46 | C47 | H473 | 109.5° | 109.5° |
| N46 | C47 | H471 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H152 | C15 | H151 | 109.5° | 109.4° |
| H212 | C21 | H211 | 109.4° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.5° |
| H062 | C06 | H061 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H092 | C09 | H091 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.5° |
| H162 | C16 | H163 | 109.5° | 109.5° |
| H162 | C16 | H161 | 109.4° | 109.5° |
| H163 | C16 | H161 | 109.5° | 109.4° |
| H232 | C23 | H231 | 109.4° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H272 | C27 | H271 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.5° | 109.6° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H322 | C32 | H321 | 109.5° | 109.5° |
| H332 | C33 | H331 | 109.5° | 109.5° |
| H342 | C34 | H341 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.4° | 109.5° |
| H362 | C36 | H361 | 109.5° | 109.5° |
| H371 | C37 | H373 | 109.4° | 109.5° |
| H371 | C37 | H372 | 109.5° | 109.5° |
| H373 | C37 | H372 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.4° | 109.5° |
| H441 | C44 | H442 | 109.4° | 109.5° |
| H451 | C45 | H452 | 109.5° | 109.5° |
| H472 | C47 | H473 | 109.4° | 109.4° |
| H472 | C47 | H471 | 109.5° | 109.4° |
| H473 | C47 | H471 | 109.5° | 109.5° |
| H481 | C48 | H482 | 109.5° | 109.5° |
| H481 | C48 | H483 | 109.5° | 109.5° |
| H482 | C48 | H483 | 109.5° | 109.4° |
| H491 | C49 | H493 | 109.5° | 109.5° |
| H491 | C49 | H492 | 109.5° | 109.5° |
| H493 | C49 | H492 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | C14 | H152 | 120.9° | 120.0° |
| C16 | C15 | C14 | H151 | 120.9° | 120.1° |
| C16 | C15 | C14 | C13 | 160.3° | 180.0° |
| C16 | C15 | H152 | H151 | 117.1° | 120.1° |
| C16 | C15 | C14 | H142 | 39.3° | 60.0° |
| C16 | C15 | C14 | H141 | 78.6° | 60.0° |
| C15 | C16 | H162 | H163 | 120.0° | 120.0° |
| C15 | C16 | H162 | H161 | 120.0° | 120.0° |
| C15 | C16 | H163 | H161 | 120.0° | 120.0° |
| C37 | C36 | C35 | H362 | 120.9° | 119.9° |
| C37 | C36 | C35 | H361 | 120.9° | 120.0° |
| C37 | C36 | C35 | C34 | 142.7° | 180.0° |
| C37 | C36 | C35 | H351 | 96.1° | 60.0° |
| C37 | C36 | C35 | H352 | 21.6° | 60.0° |
| C37 | C36 | H362 | H361 | 117.1° | 120.0° |
| C36 | C37 | H371 | H373 | 120.0° | 120.0° |
| C36 | C37 | H371 | H372 | 120.0° | 119.9° |
| C36 | C37 | H373 | H372 | 120.0° | 120.0° |
| C36 | C35 | C34 | H351 | 121.1° | 120.0° |
| C36 | C35 | C34 | H352 | 121.2° | 120.0° |
| C36 | C35 | C34 | C33 | 32.2° | 180.0° |
| C36 | C35 | C34 | H342 | 153.4° | 60.0° |
| C36 | C35 | C34 | H341 | 88.9° | 60.1° |
| C36 | C35 | H351 | H352 | 116.4° | 120.0° |
| C35 | C36 | H362 | H361 | 117.1° | 120.0° |
| C35 | C36 | C37 | H371 | 180.0° | 60.1° |
| C35 | C36 | C37 | H373 | 60.0° | 60.0° |
| C35 | C36 | C37 | H372 | 60.0° | 180.0° |
| C15 | C14 | C13 | H142 | 121.1° | 120.1° |
| C15 | C14 | C13 | H141 | 121.1° | 120.0° |
| C15 | C14 | C13 | C12 | 174.2° | 180.0° |
| C15 | C14 | C13 | H131 | 64.7° | 59.9° |
| C15 | C14 | C13 | H132 | 53.1° | 60.0° |
| C14 | C15 | H152 | H151 | 117.1° | 119.9° |
| C15 | C14 | H142 | H141 | 116.6° | 120.0° |
| C14 | C15 | C16 | H162 | 180.0° | 60.0° |
| C14 | C15 | C16 | H163 | 60.0° | 60.0° |
| C14 | C15 | C16 | H161 | 60.0° | 180.0° |
| C35 | C34 | C33 | H342 | 121.2° | 120.0° |
| C35 | C34 | C33 | H341 | 121.2° | 119.9° |
| C35 | C34 | C33 | C32 | 134.2° | 180.0° |
| C35 | C34 | C33 | H332 | 104.7° | 60.0° |
| C35 | C34 | C33 | H331 | 13.1° | 60.0° |
| C35 | C34 | H342 | H341 | 116.3° | 120.0° |
| C34 | C35 | H351 | H352 | 116.4° | 120.1° |
| C34 | C35 | C36 | H362 | 21.8° | 60.0° |
| C34 | C35 | C36 | H361 | 96.3° | 60.0° |
| C14 | C13 | C12 | H131 | 121.1° | 120.0° |
| C14 | C13 | C12 | H132 | 121.1° | 120.0° |
| C14 | C13 | C12 | C11 | 177.0° | 180.0° |
| C14 | C13 | H131 | H132 | 116.5° | 119.9° |
| C13 | C14 | C15 | H152 | 78.7° | 59.9° |
| C13 | C14 | C15 | H151 | 39.4° | 59.9° |
| C14 | C13 | C12 | H121 | 55.8° | 60.0° |
| C14 | C13 | C12 | H122 | 61.8° | 60.0° |
| C13 | C14 | H142 | H141 | 116.6° | 119.9° |
| C34 | C33 | C32 | H332 | 121.1° | 120.0° |
| C34 | C33 | C32 | H331 | 121.1° | 120.0° |
| C34 | C33 | C32 | C31 | 70.0° | NaN° |
| C34 | C33 | C32 | H322 | 169.0° | 60.0° |
| C34 | C33 | C32 | H321 | 51.0° | 60.0° |
| C34 | C33 | H332 | H331 | 116.4° | 120.0° |
| C33 | C34 | H342 | H341 | 116.3° | 120.0° |
| C33 | C34 | C35 | H351 | 88.9° | 60.0° |
| C33 | C34 | C35 | H352 | 153.4° | 60.1° |
| C33 | C32 | C31 | H322 | 121.0° | 120.0° |
| C33 | C32 | C31 | H321 | 121.0° | 120.0° |
| C33 | C32 | C31 | C30 | 46.3° | 180.0° |
| C33 | C32 | C31 | H311 | 167.5° | 60.0° |
| C33 | C32 | C31 | H312 | 74.8° | 60.0° |
| C33 | C32 | H322 | H321 | 116.7° | 119.9° |
| C32 | C33 | H332 | H331 | 116.4° | 120.0° |
| C32 | C33 | C34 | H342 | 13.0° | 60.0° |
| C32 | C33 | C34 | H341 | 104.7° | 60.0° |
| C13 | C12 | C11 | H121 | 121.2° | 120.0° |
| C13 | C12 | C11 | H122 | 121.2° | 120.0° |
| C13 | C12 | C11 | C10 | 176.9° | 180.0° |
| C12 | C13 | H131 | H132 | 116.5° | 120.0° |
| C13 | C12 | C11 | H111 | 55.8° | 60.0° |
| C13 | C12 | C11 | H112 | 61.9° | 60.0° |
| C13 | C12 | H121 | H122 | 116.2° | 120.0° |
| C12 | C13 | C14 | H142 | 53.1° | 59.9° |
| C12 | C13 | C14 | H141 | 64.7° | 60.0° |
| C32 | C31 | C30 | H311 | 121.2° | 120.0° |
| C32 | C31 | C30 | H312 | 121.2° | 119.9° |
| C32 | C31 | C30 | C29 | 138.5° | 180.0° |
| C32 | C31 | C30 | H302 | 102.3° | 60.0° |
| C32 | C31 | C30 | H301 | 19.3° | 60.1° |
| C32 | C31 | H311 | H312 | 116.3° | 119.9° |
| C31 | C32 | H322 | H321 | 116.8° | 120.1° |
| C31 | C32 | C33 | H332 | 51.1° | 60.0° |
| C31 | C32 | C33 | H331 | 168.9° | 60.0° |
| C12 | C11 | C10 | H111 | 121.2° | 120.0° |
| C12 | C11 | C10 | H112 | 121.2° | 120.0° |
| C12 | C11 | C10 | C09 | 125.8° | 179.9° |
| C12 | C11 | C10 | H101 | 113.0° | 60.0° |
| C12 | C11 | C10 | H102 | 4.7° | 60.0° |
| C11 | C12 | C13 | H131 | 61.9° | 60.0° |
| C11 | C12 | C13 | H132 | 55.9° | 60.0° |
| C12 | C11 | H111 | H112 | 116.4° | 120.0° |
| C11 | C12 | H121 | H122 | 116.2° | 120.0° |
| C31 | C30 | C29 | H302 | 119.2° | 120.0° |
| C31 | C30 | C29 | H301 | 119.2° | 119.9° |
| C31 | C30 | C29 | C28 | 158.7° | 126.7° |
| C31 | C30 | C29 | H4 | 21.3° | 53.3° |
| C31 | C30 | H302 | H301 | 122.3° | 120.0° |
| C30 | C31 | H311 | H312 | 116.3° | 120.1° |
| C30 | C31 | C32 | H322 | 74.7° | 60.0° |
| C30 | C31 | C32 | H321 | 167.3° | 60.0° |
| C11 | C10 | C09 | H101 | 121.1° | 120.0° |
| C11 | C10 | C09 | H102 | 121.1° | 119.9° |
| C11 | C10 | C09 | C08 | 169.0° | 180.0° |
| C11 | C10 | H101 | H102 | 116.5° | 119.9° |
| C11 | C10 | C09 | H092 | 69.8° | 60.1° |
| C11 | C10 | C09 | H091 | 47.8° | 60.0° |
| C10 | C11 | H111 | H112 | 116.4° | 120.0° |
| C10 | C11 | C12 | H121 | 61.9° | 60.0° |
| C10 | C11 | C12 | H122 | 55.7° | 60.0° |
| C30 | C29 | C28 | H4 | 180.0° | 180.0° |
| C30 | C29 | C28 | C27 | 1.2° | 8.2° |
| C30 | C29 | C28 | H281 | 178.8° | 171.7° |
| C29 | C30 | H302 | H301 | 122.3° | 120.0° |
| C29 | C30 | C31 | H311 | 17.3° | 60.0° |
| C29 | C30 | C31 | H312 | 100.3° | 60.1° |
| C10 | C09 | C08 | H092 | 121.2° | 120.0° |
| C10 | C09 | C08 | H091 | 121.1° | 120.0° |
| C10 | C09 | C08 | C07 | 94.4° | 180.0° |
| C09 | C10 | H101 | H102 | 116.5° | 120.1° |
| C10 | C09 | C08 | H081 | 144.6° | 60.0° |
| C10 | C09 | C08 | H082 | 26.6° | 60.0° |
| C10 | C09 | H092 | H091 | 116.3° | 120.0° |
| C09 | C10 | C11 | H111 | 4.7° | 60.0° |
| C09 | C10 | C11 | H112 | 113.0° | 60.1° |
| C29 | C28 | C27 | H281 | 180.0° | 179.8° |
| C29 | C28 | C27 | C26 | 68.5° | 127.6° |
| C29 | C28 | C27 | H272 | 51.7° | 7.6° |
| C29 | C28 | C27 | H271 | 171.4° | 112.4° |
| C28 | C29 | C30 | H302 | 82.1° | 113.3° |
| C28 | C29 | C30 | H301 | 39.5° | 6.8° |
| C09 | C08 | C07 | H081 | 121.0° | 120.0° |
| C09 | C08 | C07 | H082 | 121.0° | 120.0° |
| C09 | C08 | C07 | C06 | 139.0° | 180.0° |
| C08 | C09 | C10 | H101 | 47.8° | 60.0° |
| C08 | C09 | C10 | H102 | 69.9° | 60.1° |
| C09 | C08 | C07 | H071 | 100.1° | 60.1° |
| C09 | C08 | C07 | H072 | 18.1° | 60.0° |
| C09 | C08 | H081 | H082 | 116.8° | 120.0° |
| C08 | C09 | H092 | H091 | 116.4° | 120.0° |
| C28 | C27 | C26 | H272 | 120.2° | 120.0° |
| C28 | C27 | C26 | H271 | 120.2° | 120.0° |
| C28 | C27 | C26 | C25 | 164.8° | 180.0° |
| C28 | C27 | C26 | H261 | 74.6° | 60.0° |
| C28 | C27 | C26 | H262 | 44.3° | 60.0° |
| C28 | C27 | H272 | H271 | 119.4° | 120.0° |
| C27 | C28 | C29 | H4 | 178.8° | 171.8° |
| C08 | C07 | C06 | H071 | 120.9° | 120.0° |
| C08 | C07 | C06 | H072 | 120.9° | 120.0° |
| C08 | C07 | C06 | C05 | 124.4° | 180.0° |
| C08 | C07 | C06 | H062 | 115.0° | 60.0° |
| C08 | C07 | C06 | H061 | 3.7° | 60.0° |
| C08 | C07 | H071 | H072 | 117.1° | 120.1° |
| C07 | C08 | H081 | H082 | 116.8° | 120.1° |
| C07 | C08 | C09 | H092 | 26.8° | 60.0° |
| C07 | C08 | C09 | H091 | 144.5° | 60.0° |
| C07 | C06 | C05 | H062 | 120.6° | 120.0° |
| C07 | C06 | C05 | H061 | 120.6° | 120.0° |
| C07 | C06 | C05 | C04 | 95.4° | 180.0° |
| C07 | C06 | C05 | H052 | 25.8° | 60.0° |
| C07 | C06 | C05 | H051 | 143.3° | 60.0° |
| C07 | C06 | H062 | H061 | 118.0° | 120.0° |
| C06 | C07 | H071 | H072 | 117.1° | 119.9° |
| C06 | C07 | C08 | H081 | 17.9° | 60.0° |
| C06 | C07 | C08 | H082 | 100.0° | 60.0° |
| C27 | C26 | C25 | H261 | 120.6° | 120.0° |
| C27 | C26 | C25 | H262 | 120.5° | 120.0° |
| C27 | C26 | C25 | C24 | 73.5° | 180.0° |
| C27 | C26 | H261 | H262 | 118.3° | 120.0° |
| C26 | C27 | C28 | H281 | 111.5° | 52.6° |
| C27 | C26 | C25 | H251 | 165.6° | 60.0° |
| C27 | C26 | C25 | H252 | 47.5° | 60.0° |
| C26 | C27 | H272 | H271 | 119.4° | 120.0° |
| C26 | C25 | C24 | H251 | 120.9° | 120.0° |
| C26 | C25 | C24 | H252 | 121.0° | 120.0° |
| C26 | C25 | C24 | C23 | 159.3° | 180.0° |
| C26 | C25 | C24 | H241 | 79.8° | 60.0° |
| C26 | C25 | C24 | H242 | 38.4° | 60.1° |
| C25 | C26 | H261 | H262 | 118.3° | 120.0° |
| C26 | C25 | H251 | H252 | 117.0° | 120.0° |
| C25 | C26 | C27 | H272 | 44.6° | 60.0° |
| C25 | C26 | C27 | H271 | 75.0° | 60.0° |
| C06 | C05 | C04 | H052 | 121.3° | 120.0° |
| C06 | C05 | C04 | H051 | 121.3° | 120.0° |
| C06 | C05 | C04 | C03 | 110.8° | 180.0° |
| C06 | C05 | C04 | H041 | 10.3° | 60.0° |
| C06 | C05 | C04 | H042 | 128.2° | 60.0° |
| C06 | C05 | H052 | H051 | 116.0° | 120.0° |
| C05 | C06 | H062 | H061 | 118.0° | 120.0° |
| C05 | C06 | C07 | H071 | 3.4° | 60.0° |
| C05 | C06 | C07 | H072 | 114.7° | 60.0° |
| C05 | C04 | C03 | H041 | 121.0° | 120.1° |
| C05 | C04 | C03 | H042 | 121.0° | 120.0° |
| C05 | C04 | C03 | C02 | 74.3° | 125.0° |
| C05 | C04 | C03 | H3 | 105.7° | 55.0° |
| C05 | C04 | H041 | H042 | 116.8° | 120.0° |
| C04 | C05 | H052 | H051 | 116.0° | 120.0° |
| C04 | C05 | C06 | H062 | 143.9° | 60.0° |
| C04 | C05 | C06 | H061 | 25.2° | 60.0° |
| C04 | C03 | C02 | H3 | 180.0° | 180.0° |
| C04 | C03 | C02 | C01 | 180.0° | 180.0° |
| C04 | C03 | C02 | H2 | 0.0° | 0.1° |
| C03 | C04 | H041 | H042 | 116.8° | 119.9° |
| C03 | C04 | C05 | H052 | 128.0° | 60.0° |
| C03 | C04 | C05 | H051 | 10.5° | 60.0° |
| C25 | C24 | C23 | H241 | 120.9° | 119.9° |
| C25 | C24 | C23 | H242 | 120.9° | 120.0° |
| C25 | C24 | C23 | C22 | 102.8° | NaN° |
| C25 | C24 | H241 | H242 | 117.2° | 120.0° |
| C24 | C25 | C26 | H261 | 47.1° | 60.0° |
| C24 | C25 | C26 | H262 | 166.0° | 60.0° |
| C25 | C24 | C23 | H232 | 18.2° | 60.1° |
| C25 | C24 | C23 | H231 | 136.2° | 60.0° |
| C24 | C25 | H251 | H252 | 117.0° | 120.0° |
| C24 | C23 | C22 | H232 | 121.0° | 120.0° |
| C24 | C23 | C22 | H231 | 121.0° | 120.0° |
| C24 | C23 | C22 | C21 | 166.1° | 180.0° |
| C24 | C23 | C22 | H221 | 72.8° | 60.0° |
| C24 | C23 | C22 | H222 | 45.0° | 60.0° |
| C23 | C24 | H241 | H242 | 117.2° | 120.0° |
| C24 | C23 | H232 | H231 | 116.8° | 120.0° |
| C23 | C24 | C25 | H251 | 38.4° | 60.0° |
| C23 | C24 | C25 | H252 | 79.7° | 60.0° |
| C03 | C02 | C01 | H2 | 180.0° | 179.9° |
| C03 | C02 | C01 | O17 | 85.4° | 5.0° |
| C03 | C02 | C01 | C18 | 163.1° | 125.0° |
| C03 | C02 | C01 | H011 | 32.6° | 115.0° |
| C02 | C03 | C04 | H041 | 164.7° | 115.0° |
| C02 | C03 | C04 | H042 | 46.7° | 5.0° |
| C23 | C22 | C21 | H221 | 121.1° | 120.0° |
| C23 | C22 | C21 | H222 | 121.1° | 120.0° |
| C23 | C22 | C21 | C20 | 15.5° | 180.0° |
| C23 | C22 | C21 | H212 | 136.2° | 60.0° |
| C23 | C22 | C21 | H211 | 105.3° | 60.0° |
| C23 | C22 | H221 | H222 | 116.4° | 120.0° |
| C22 | C23 | C24 | H241 | 136.3° | 60.1° |
| C22 | C23 | C24 | H242 | 18.1° | 60.0° |
| C22 | C23 | H232 | H231 | 116.8° | 120.0° |
| C02 | C01 | O17 | C18 | 121.5° | 120.0° |
| C02 | C01 | O17 | H011 | 116.7° | 120.0° |
| C02 | C01 | C18 | H011 | 130.6° | 120.0° |
| C02 | C01 | C18 | N19 | 58.5° | 63.6° |
| C02 | C01 | C18 | C39 | 179.4° | 176.4° |
| C01 | C02 | C03 | H3 | 0.1° | 0.1° |
| C02 | C01 | C18 | H181 | 60.5° | 56.4° |
| C02 | C01 | O17 | H171 | 180.0° | 56.0° |
| C22 | C21 | C20 | N19 | 97.9° | 179.9° |
| C22 | C21 | C20 | H212 | 120.7° | 120.0° |
| C22 | C21 | C20 | H211 | 120.8° | 120.0° |
| C22 | C21 | C20 | O38 | 81.8° | 0.0° |
| C22 | C21 | H212 | H211 | 117.7° | 120.0° |
| C21 | C22 | H221 | H222 | 116.4° | 120.0° |
| C21 | C22 | C23 | H232 | 45.0° | 60.1° |
| C21 | C22 | C23 | H231 | 72.9° | 60.0° |
| O17 | C01 | C18 | H011 | 122.8° | 120.0° |
| O17 | C01 | C18 | N19 | 165.1° | 176.4° |
| O17 | C01 | C18 | C39 | 72.9° | 56.4° |
| O17 | C01 | C02 | H2 | 94.6° | 175.1° |
| O17 | C01 | C18 | H181 | 46.0° | 63.6° |
| C01 | C18 | N19 | C39 | 122.5° | 120.0° |
| C01 | C18 | N19 | H181 | 118.4° | 120.0° |
| C01 | C18 | N19 | C20 | 171.5° | 155.0° |
| C01 | C18 | C39 | H181 | 119.2° | 120.0° |
| C01 | C18 | C39 | O40 | 30.9° | 56.5° |
| C18 | C01 | C02 | H2 | 16.9° | 55.1° |
| C01 | C18 | C39 | H391 | 151.4° | 63.5° |
| C01 | C18 | C39 | H392 | 89.7° | 176.4° |
| C01 | C18 | N19 | H191 | 8.5° | 25.0° |
| C18 | C01 | O17 | H171 | 58.5° | 64.0° |
| C18 | N19 | C20 | H191 | 180.0° | 179.9° |
| C18 | N19 | C20 | C21 | 179.6° | 180.0° |
| N19 | C18 | C39 | H181 | 120.0° | 120.0° |
| C18 | N19 | C20 | O38 | 0.0° | 0.1° |
| N19 | C18 | C39 | O40 | 151.7° | 63.5° |
| N19 | C18 | C01 | H011 | 72.1° | 56.4° |
| N19 | C18 | C39 | H391 | 87.7° | 176.5° |
| N19 | C18 | C39 | H392 | 31.1° | 56.4° |
| N19 | C20 | C21 | O38 | 179.6° | 179.9° |
| C20 | N19 | C18 | C39 | 66.0° | 84.9° |
| N19 | C20 | C21 | H212 | 141.4° | 60.0° |
| N19 | C20 | C21 | H211 | 22.9° | 60.0° |
| C20 | N19 | C18 | H181 | 53.1° | 35.1° |
| C20 | C21 | H212 | H211 | 117.7° | 120.0° |
| C20 | C21 | C22 | H221 | 105.7° | 60.0° |
| C20 | C21 | C22 | H222 | 136.6° | 60.0° |
| C21 | C20 | N19 | H191 | 0.4° | 0.1° |
| C18 | C39 | O40 | H391 | 120.6° | 120.0° |
| C18 | C39 | O40 | H392 | 120.6° | 120.0° |
| C18 | C39 | O40 | P41 | 131.2° | 180.0° |
| C39 | C18 | C01 | H011 | 50.0° | 63.6° |
| C18 | C39 | H391 | H392 | 118.3° | 120.0° |
| C39 | C18 | N19 | H191 | 114.0° | 95.0° |
| O38 | C20 | C21 | H212 | 39.0° | 120.0° |
| O38 | C20 | C21 | H211 | 157.5° | 120.0° |
| O38 | C20 | N19 | H191 | 180.0° | 180.0° |
| C39 | O40 | P41 | O50 | 44.0° | 55.0° |
| C39 | O40 | P41 | O42 | 179.9° | 65.0° |
| C39 | O40 | P41 | O43 | 68.0° | 175.0° |
| O40 | C39 | C18 | H181 | 88.3° | 176.4° |
| O40 | C39 | H391 | H392 | 118.2° | 120.0° |
| O40 | P41 | O50 | O42 | 130.1° | 120.0° |
| O40 | P41 | O50 | O43 | 116.0° | 120.0° |
| O40 | P41 | O42 | O43 | 116.2° | 120.0° |
| O40 | P41 | O43 | C44 | 98.8° | 175.0° |
| P41 | O40 | C39 | H391 | 108.2° | 60.0° |
| P41 | O40 | C39 | H392 | 10.6° | 60.0° |
| O40 | P41 | O42 | H5 | 129.7° | 60.0° |
| O50 | P41 | O42 | O43 | 114.1° | 120.0° |
| O50 | P41 | O43 | C44 | 145.0° | 55.0° |
| O50 | P41 | O42 | H5 | 0.0° | 180.0° |
| O42 | P41 | O43 | C44 | 18.2° | 65.0° |
| P41 | O43 | C44 | C45 | 119.9° | 180.0° |
| P41 | O43 | C44 | H441 | 119.3° | 60.0° |
| P41 | O43 | C44 | H442 | 0.9° | 60.0° |
| O43 | P41 | O42 | H5 | 114.0° | 60.0° |
| O43 | C44 | C45 | H441 | 120.8° | 120.0° |
| O43 | C44 | C45 | H442 | 120.8° | 120.0° |
| O43 | C44 | C45 | N46 | 157.5° | 68.0° |
| O43 | C44 | H441 | H442 | 117.6° | 120.0° |
| O43 | C44 | C45 | H451 | 36.8° | 171.9° |
| O43 | C44 | C45 | H452 | 81.7° | 51.9° |
| C49 | N46 | C45 | C44 | 76.2° | 63.0° |
| C49 | N46 | C45 | C48 | 123.2° | 120.0° |
| C49 | N46 | C45 | C47 | 120.0° | 120.0° |
| C49 | N46 | C48 | C47 | 119.3° | 120.0° |
| C49 | N46 | C45 | H451 | 44.5° | 57.1° |
| C49 | N46 | C45 | H452 | 163.0° | 177.1° |
| C49 | N46 | C47 | H472 | 180.0° | 180.0° |
| C49 | N46 | C47 | H473 | 60.0° | 60.0° |
| C49 | N46 | C47 | H471 | 60.0° | 60.1° |
| C49 | N46 | C48 | H481 | 180.0° | 49.1° |
| C49 | N46 | C48 | H482 | 60.0° | 71.0° |
| C49 | N46 | C48 | H483 | 60.0° | 169.1° |
| N46 | C49 | H491 | H493 | 120.0° | 120.0° |
| N46 | C49 | H491 | H492 | 120.0° | 120.0° |
| N46 | C49 | H493 | H492 | 120.0° | 120.0° |
| C44 | C45 | N46 | H451 | 120.8° | 120.0° |
| C44 | C45 | N46 | H452 | 120.7° | 120.0° |
| C44 | C45 | N46 | C48 | 160.6° | 57.0° |
| C44 | C45 | N46 | C47 | 43.7° | 177.1° |
| C45 | C44 | H441 | H442 | 117.6° | 120.0° |
| C44 | C45 | H451 | H452 | 117.7° | 120.0° |
| C45 | N46 | C48 | C47 | 118.1° | 120.0° |
| N46 | C45 | C44 | H441 | 81.7° | 172.0° |
| N46 | C45 | C44 | H442 | 36.7° | 52.0° |
| N46 | C45 | H451 | H452 | 117.7° | 120.0° |
| C45 | N46 | C47 | H472 | 57.3° | 60.0° |
| C45 | N46 | C47 | H473 | 62.7° | 179.9° |
| C45 | N46 | C47 | H471 | 177.4° | 59.9° |
| C45 | N46 | C48 | H481 | 57.3° | 70.9° |
| C45 | N46 | C48 | H482 | 177.3° | 169.0° |
| C45 | N46 | C48 | H483 | 62.7° | 49.1° |
| C45 | N46 | C49 | H491 | 180.0° | 60.0° |
| C45 | N46 | C49 | H493 | 60.0° | 180.0° |
| C45 | N46 | C49 | H492 | 60.0° | 60.0° |
| C48 | N46 | C45 | H451 | 78.7° | 177.1° |
| C48 | N46 | C45 | H452 | 39.8° | 62.9° |
| C48 | N46 | C47 | H472 | 57.5° | 60.0° |
| C48 | N46 | C47 | H473 | 177.5° | 59.9° |
| C48 | N46 | C47 | H471 | 62.6° | 180.0° |
| N46 | C48 | H481 | H482 | 120.0° | 120.0° |
| N46 | C48 | H481 | H483 | 120.0° | 120.0° |
| N46 | C48 | H482 | H483 | 120.0° | 120.0° |
| C48 | N46 | C49 | H491 | 61.3° | 180.0° |
| C48 | N46 | C49 | H493 | 178.7° | 60.0° |
| C48 | N46 | C49 | H492 | 58.8° | 60.0° |
| C47 | N46 | C45 | H451 | 164.5° | 62.9° |
| C47 | N46 | C45 | H452 | 77.0° | 57.1° |
| N46 | C47 | H472 | H473 | 120.0° | 120.0° |
| N46 | C47 | H472 | H471 | 120.0° | 120.0° |
| N46 | C47 | H473 | H471 | 120.0° | 120.1° |
| C47 | N46 | C48 | H481 | 60.8° | 169.1° |
| C47 | N46 | C48 | H482 | 59.3° | 49.0° |
| C47 | N46 | C48 | H483 | 179.3° | 71.0° |
| C47 | N46 | C49 | H491 | 58.5° | 60.0° |
| C47 | N46 | C49 | H493 | 61.5° | 60.0° |
| C47 | N46 | C49 | H492 | 178.5° | 180.0° |
| H101 | C10 | C09 | H092 | 169.0° | 60.0° |
| H101 | C10 | C09 | H091 | 73.3° | 180.0° |
| H101 | C10 | C11 | H111 | 125.8° | 179.9° |
| H101 | C10 | C11 | H112 | 8.1° | 60.0° |
| H102 | C10 | C09 | H092 | 51.3° | 180.0° |
| H102 | C10 | C09 | H091 | 168.9° | 60.0° |
| H102 | C10 | C11 | H111 | 116.4° | 60.0° |
| H102 | C10 | C11 | H112 | 125.9° | 180.0° |
| H131 | C13 | C12 | H121 | 176.9° | 60.0° |
| H131 | C13 | C12 | H122 | 59.3° | 180.0° |
| H131 | C13 | C14 | H142 | 174.2° | 180.0° |
| H131 | C13 | C14 | H141 | 56.4° | 60.1° |
| H132 | C13 | C12 | H121 | 65.2° | 180.0° |
| H132 | C13 | C12 | H122 | 177.1° | 60.0° |
| H132 | C13 | C14 | H142 | 68.0° | 60.1° |
| H132 | C13 | C14 | H141 | 174.2° | NaN° |
| H152 | C15 | C14 | H142 | 160.2° | 180.0° |
| H152 | C15 | C14 | H141 | 42.4° | 60.0° |
| H152 | C15 | C16 | H162 | 59.1° | 180.0° |
| H152 | C15 | C16 | H163 | 61.0° | 60.0° |
| H152 | C15 | C16 | H161 | 179.0° | 60.0° |
| H151 | C15 | C14 | H142 | 81.7° | 60.1° |
| H151 | C15 | C14 | H141 | 160.5° | 179.9° |
| H151 | C15 | C16 | H162 | 59.1° | 60.0° |
| H151 | C15 | C16 | H163 | 179.1° | 179.9° |
| H151 | C15 | C16 | H161 | 60.9° | 60.0° |
| H212 | C21 | C22 | H221 | 15.1° | 180.0° |
| H212 | C21 | C22 | H222 | 102.6° | 60.0° |
| H211 | C21 | C22 | H221 | 133.6° | 60.0° |
| H211 | C21 | C22 | H222 | 15.9° | 180.0° |
| H221 | C22 | C23 | H232 | 166.2° | 180.0° |
| H221 | C22 | C23 | H231 | 48.2° | 60.0° |
| H222 | C22 | C23 | H232 | 76.1° | 60.0° |
| H222 | C22 | C23 | H231 | 166.0° | 179.9° |
| H241 | C24 | C23 | H232 | 102.7° | 180.0° |
| H241 | C24 | C23 | H231 | 15.3° | 59.9° |
| H241 | C24 | C25 | H251 | 159.2° | 180.0° |
| H241 | C24 | C25 | H252 | 41.2° | 60.0° |
| H242 | C24 | C23 | H232 | 139.2° | 59.9° |
| H242 | C24 | C23 | H231 | 102.9° | 180.0° |
| H242 | C24 | C25 | H251 | 82.5° | 60.0° |
| H242 | C24 | C25 | H252 | 159.4° | 179.9° |
| H261 | C26 | C25 | H251 | 73.8° | 180.0° |
| H261 | C26 | C25 | H252 | 168.1° | 60.0° |
| H261 | C26 | C27 | H272 | 165.2° | 180.0° |
| H261 | C26 | C27 | H271 | 45.6° | 60.0° |
| H262 | C26 | C25 | H251 | 45.1° | 60.0° |
| H262 | C26 | C25 | H252 | 73.0° | 180.0° |
| H262 | C26 | C27 | H272 | 75.9° | 60.0° |
| H262 | C26 | C27 | H271 | 164.5° | 180.0° |
| H281 | C28 | C27 | H272 | 128.3° | 172.6° |
| H281 | C28 | C27 | H271 | 8.6° | 67.4° |
| H281 | C28 | C29 | H4 | 1.2° | 8.4° |
| H011 | C01 | C02 | H2 | 147.4° | 64.9° |
| H011 | C01 | C18 | H181 | 168.8° | 176.4° |
| H011 | C01 | O17 | H171 | 63.3° | 176.0° |
| H2 | C02 | C03 | H3 | 179.9° | 180.0° |
| H3 | C03 | C04 | H041 | 15.3° | 65.1° |
| H3 | C03 | C04 | H042 | 133.3° | 175.0° |
| H041 | C04 | C05 | H052 | 111.0° | 180.0° |
| H041 | C04 | C05 | H051 | 131.5° | 60.0° |
| H042 | C04 | C05 | H052 | 7.0° | 60.0° |
| H042 | C04 | C05 | H051 | 110.5° | 180.0° |
| H052 | C05 | C06 | H062 | 94.8° | 180.0° |
| H052 | C05 | C06 | H061 | 146.5° | 60.0° |
| H051 | C05 | C06 | H062 | 22.7° | 60.0° |
| H051 | C05 | C06 | H061 | 96.1° | 180.0° |
| H062 | C06 | C07 | H071 | 124.1° | 180.0° |
| H062 | C06 | C07 | H072 | 5.9° | 60.0° |
| H061 | C06 | C07 | H071 | 117.2° | 60.0° |
| H061 | C06 | C07 | H072 | 124.6° | 180.0° |
| H071 | C07 | C08 | H081 | 138.9° | 180.0° |
| H071 | C07 | C08 | H082 | 20.9° | 59.9° |
| H072 | C07 | C08 | H081 | 103.0° | 59.9° |
| H072 | C07 | C08 | H082 | 139.1° | 180.0° |
| H081 | C08 | C09 | H092 | 94.3° | 60.0° |
| H081 | C08 | C09 | H091 | 23.4° | 180.0° |
| H082 | C08 | C09 | H092 | 147.8° | 180.0° |
| H082 | C08 | C09 | H091 | 94.5° | 60.0° |
| H111 | C11 | C12 | H121 | 177.0° | 60.0° |
| H111 | C11 | C12 | H122 | 65.4° | 180.0° |
| H112 | C11 | C12 | H121 | 59.3° | 180.0° |
| H112 | C11 | C12 | H122 | 176.9° | 60.0° |
| H162 | C16 | H163 | H161 | 120.0° | 120.0° |
| H181 | C18 | C39 | H391 | 32.2° | 56.4° |
| H181 | C18 | C39 | H392 | 151.1° | 63.6° |
| H181 | C18 | N19 | H191 | 126.9° | 145.0° |
| H4 | C29 | C30 | H302 | 97.9° | 66.7° |
| H4 | C29 | C30 | H301 | 140.5° | 173.3° |
| H302 | C30 | C31 | H311 | 136.5° | 180.0° |
| H302 | C30 | C31 | H312 | 18.9° | 59.9° |
| H301 | C30 | C31 | H311 | 101.9° | 59.9° |
| H301 | C30 | C31 | H312 | 140.5° | 180.0° |
| H311 | C31 | C32 | H322 | 46.5° | 179.9° |
| H311 | C31 | C32 | H321 | 71.5° | 60.0° |
| H312 | C31 | C32 | H322 | 164.1° | 60.0° |
| H312 | C31 | C32 | H321 | 46.2° | 180.0° |
| H322 | C32 | C33 | H332 | 69.9° | 180.0° |
| H322 | C32 | C33 | H331 | 47.9° | 60.0° |
| H321 | C32 | C33 | H332 | 172.2° | 60.0° |
| H321 | C32 | C33 | H331 | 70.1° | 180.0° |
| H332 | C33 | C34 | H342 | 134.1° | 180.0° |
| H332 | C33 | C34 | H341 | 16.5° | 60.0° |
| H331 | C33 | C34 | H342 | 108.1° | 60.0° |
| H331 | C33 | C34 | H341 | 134.2° | 179.9° |
| H342 | C34 | C35 | H351 | 32.3° | 180.0° |
| H342 | C34 | C35 | H352 | 85.4° | 59.9° |
| H341 | C34 | C35 | H351 | 149.9° | 59.9° |
| H341 | C34 | C35 | H352 | 32.2° | 180.0° |
| H351 | C35 | C36 | H362 | 143.0° | 179.9° |
| H351 | C35 | C36 | H361 | 24.8° | 60.0° |
| H352 | C35 | C36 | H362 | 99.3° | 60.0° |
| H352 | C35 | C36 | H361 | 142.5° | 180.0° |
| H362 | C36 | C37 | H371 | 59.0° | 180.0° |
| H362 | C36 | C37 | H373 | 60.9° | 60.0° |
| H362 | C36 | C37 | H372 | 179.1° | 60.0° |
| H361 | C36 | C37 | H371 | 59.1° | 60.0° |
| H361 | C36 | C37 | H373 | 179.1° | 180.0° |
| H361 | C36 | C37 | H372 | 60.9° | 60.0° |
| H371 | C37 | H373 | H372 | 120.0° | 120.0° |
| H441 | C44 | C45 | H451 | 157.6° | 52.0° |
| H441 | C44 | C45 | H452 | 39.1° | 68.0° |
| H442 | C44 | C45 | H451 | 84.0° | 68.0° |
| H442 | C44 | C45 | H452 | 157.5° | 172.0° |
| H472 | C47 | H473 | H471 | 120.0° | 119.9° |
| H481 | C48 | H482 | H483 | 120.0° | 120.0° |
| H491 | C49 | H493 | H492 | 120.0° | 120.0° |
