A1A8I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C38 | C37 | sing | 1.53Å | 1.52Å | |
| C37 | C36 | sing | 1.51Å | 1.53Å | |
| C36 | C35 | doub | 1.33Å | 1.53Å | |
| C35 | C34 | sing | 1.47Å | 1.54Å | |
| C34 | C33 | doub | 1.33Å | 1.54Å | |
| C33 | C32 | sing | 1.51Å | 1.54Å | |
| C01 | C02 | sing | 1.53Å | 1.53Å | |
| C02 | C03 | sing | 1.53Å | 1.54Å | |
| C04 | C03 | sing | 1.53Å | 1.54Å | |
| C04 | C05 | sing | 1.53Å | 1.55Å | |
| C06 | C05 | sing | 1.53Å | 1.55Å | |
| C06 | C07 | sing | 1.53Å | 1.55Å | |
| C32 | C31 | sing | 1.51Å | 1.54Å | |
| C07 | C08 | sing | 1.53Å | 1.55Å | |
| C31 | C30 | doub | 1.31Å | 1.55Å | |
| C08 | C09 | sing | 1.53Å | 1.55Å | |
| C30 | C29 | sing | 1.51Å | 1.53Å | |
| C09 | C10 | sing | 1.53Å | 1.56Å | |
| C29 | C28 | sing | 1.51Å | 1.55Å | |
| C10 | C11 | sing | 1.53Å | 1.55Å | |
| C28 | C27 | doub | 1.31Å | 1.53Å | |
| C27 | C26 | sing | 1.51Å | 1.55Å | |
| C11 | C12 | sing | 1.53Å | 1.56Å | |
| C26 | C25 | sing | 1.53Å | 1.54Å | |
| C12 | C13 | sing | 1.53Å | 1.55Å | |
| C25 | C24 | sing | 1.53Å | 1.55Å | |
| C24 | C22 | sing | 1.51Å | 1.51Å | |
| C13 | C14 | sing | 1.53Å | 1.56Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C22 | O23 | doub | 1.21Å | 1.22Å | |
| C22 | O21 | sing | 1.34Å | 1.37Å | |
| O17 | C16 | doub | 1.21Å | 1.22Å | |
| C15 | C16 | sing | 1.51Å | 1.54Å | |
| C16 | O18 | sing | 1.34Å | 1.36Å | |
| O21 | C20 | sing | 1.45Å | 1.41Å | |
| O63 | P41 | doub | 1.48Å | 1.49Å | |
| O18 | C19 | sing | 1.45Å | 1.45Å | |
| C20 | C19 | sing | 1.53Å | 1.57Å | |
| C20 | C39 | sing | 1.53Å | 1.63Å | |
| O42 | P41 | sing | 1.61Å | 1.49Å | |
| P41 | O40 | sing | 1.61Å | 1.85Å | |
| P41 | O43 | sing | 1.61Å | 1.62Å | |
| O40 | C39 | sing | 1.43Å | 1.34Å | |
| O43 | C44 | sing | 1.43Å | 1.43Å | |
| O46 | C45 | sing | 1.43Å | 1.40Å | |
| C45 | C44 | sing | 1.53Å | 1.56Å | |
| C45 | C47 | sing | 1.53Å | 1.59Å | |
| C44 | C55 | sing | 1.53Å | 1.55Å | |
| O52 | P49 | doub | 1.48Å | 1.52Å | |
| O48 | C47 | sing | 1.43Å | 1.35Å | |
| O48 | P49 | sing | 1.61Å | 1.83Å | |
| O51 | P49 | sing | 1.61Å | 1.53Å | |
| C55 | O56 | sing | 1.43Å | 1.40Å | |
| C55 | C54 | sing | 1.53Å | 1.59Å | |
| C47 | C53 | sing | 1.53Å | 1.57Å | |
| P49 | O50 | sing | 1.61Å | 1.50Å | |
| C53 | C54 | sing | 1.53Å | 1.58Å | |
| C53 | O62 | sing | 1.43Å | 1.39Å | |
| C54 | O57 | sing | 1.43Å | 1.36Å | |
| O59 | P58 | doub | 1.48Å | 1.52Å | |
| O57 | P58 | sing | 1.61Å | 1.82Å | |
| P58 | O60 | sing | 1.61Å | 1.52Å | |
| P58 | O61 | sing | 1.61Å | 1.51Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.08Å | 1.08Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H312 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.08Å | 1.08Å | |
| C34 | H342 | sing | 1.08Å | 1.08Å | |
| C35 | H352 | sing | 1.08Å | 1.08Å | |
| C36 | H362 | sing | 1.08Å | 1.08Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C38 | H383 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| C55 | H551 | sing | 1.09Å | 1.10Å | |
| O42 | H1 | sing | 0.97Å | 0.95Å | |
| O46 | H461 | sing | 0.97Å | 0.95Å | |
| O50 | H2 | sing | 0.97Å | 0.95Å | |
| O51 | H3 | sing | 0.97Å | 0.95Å | |
| O56 | H561 | sing | 0.97Å | 0.95Å | |
| O60 | H4 | sing | 0.97Å | 0.95Å | |
| O61 | H5 | sing | 0.97Å | 0.95Å | |
| O62 | H621 | sing | 0.97Å | 0.95Å | |
| C01 | C1 | sing | 1.53Å | 251.72Å | |
| C1 | C2 | sing | 1.53Å | 0.00Å | |
| C38 | C3 | sing | 1.53Å | 251.38Å | |
| C3 | C4 | sing | 1.53Å | 0.00Å | |
| C4 | C5 | sing | 1.53Å | 0.00Å | |
| C5 | C6 | sing | 1.53Å | 0.00Å | |
| C1 | H6 | sing | 1.09Å | 0.00Å | |
| C1 | H7 | sing | 1.09Å | 0.00Å | |
| C2 | H8 | sing | 1.09Å | 0.00Å | |
| C2 | H9 | sing | 1.09Å | 0.00Å | |
| C2 | H10 | sing | 1.09Å | 0.00Å | |
| C3 | H11 | sing | 1.09Å | 0.00Å | |
| C3 | H12 | sing | 1.09Å | 0.00Å | |
| C4 | H13 | sing | 1.09Å | 0.00Å | |
| C4 | H14 | sing | 1.09Å | 0.00Å | |
| C5 | H15 | sing | 1.09Å | 0.00Å | |
| C5 | H16 | sing | 1.09Å | 0.00Å | |
| C6 | H17 | sing | 1.09Å | 0.00Å | |
| C6 | H18 | sing | 1.09Å | 0.00Å | |
| C6 | H19 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C38 | C37 | C36 | 111.9° | 109.5° |
| C38 | C37 | H372 | 108.9° | 109.5° |
| C38 | C37 | H371 | 108.9° | 109.5° |
| C37 | C38 | H383 | 99.4° | 109.4° |
| C37 | C38 | H382 | 99.4° | 109.4° |
| C37 | C38 | C3 | 147.3° | 109.5° |
| C37 | C36 | C35 | 113.3° | 120.0° |
| C37 | C36 | H362 | 123.3° | 120.0° |
| C36 | C37 | H372 | 108.9° | 109.4° |
| C36 | C37 | H371 | 108.9° | 109.5° |
| C36 | C35 | C34 | 112.7° | 120.0° |
| C36 | C35 | H352 | 123.6° | 120.0° |
| C35 | C36 | H362 | 123.3° | 120.0° |
| C35 | C34 | C33 | 114.1° | 120.0° |
| C35 | C34 | H342 | 123.0° | 120.0° |
| C34 | C35 | H352 | 123.7° | 119.9° |
| C34 | C33 | C32 | 115.0° | 120.0° |
| C34 | C33 | H332 | 122.5° | 120.1° |
| C33 | C34 | H342 | 122.9° | 120.0° |
| C33 | C32 | C31 | 113.5° | 109.5° |
| C33 | C32 | H321 | 108.5° | 109.5° |
| C33 | C32 | H322 | 108.5° | 109.5° |
| C32 | C33 | H332 | 122.5° | 120.0° |
| C01 | C02 | C03 | 112.9° | 109.5° |
| C01 | C02 | H022 | 108.6° | 109.4° |
| C01 | C02 | H021 | 108.6° | 109.5° |
| C02 | C01 | H011 | 107.5° | 109.4° |
| C02 | C01 | H013 | 107.5° | 109.5° |
| C02 | C01 | C1 | 117.2° | 109.5° |
| C02 | C03 | C04 | 112.5° | 109.5° |
| C03 | C02 | H022 | 108.6° | 109.5° |
| C03 | C02 | H021 | 108.6° | 109.5° |
| C02 | C03 | H032 | 108.7° | 109.4° |
| C02 | C03 | H031 | 108.7° | 109.4° |
| C03 | C04 | C05 | 115.3° | 109.5° |
| C04 | C03 | H032 | 108.7° | 109.5° |
| C04 | C03 | H031 | 108.7° | 109.5° |
| C03 | C04 | H041 | 108.0° | 109.5° |
| C03 | C04 | H042 | 108.0° | 109.5° |
| C04 | C05 | C06 | 113.3° | 109.5° |
| C05 | C04 | H041 | 108.0° | 109.4° |
| C05 | C04 | H042 | 108.0° | 109.5° |
| C04 | C05 | H052 | 108.5° | 109.5° |
| C04 | C05 | H051 | 108.5° | 109.5° |
| C05 | C06 | C07 | 116.9° | 109.5° |
| C05 | C06 | H062 | 107.6° | 109.5° |
| C05 | C06 | H061 | 107.6° | 109.5° |
| C06 | C05 | H052 | 108.5° | 109.5° |
| C06 | C05 | H051 | 108.5° | 109.4° |
| C06 | C07 | C08 | 115.7° | 109.5° |
| C07 | C06 | H062 | 107.6° | 109.5° |
| C07 | C06 | H061 | 107.6° | 109.4° |
| C06 | C07 | H072 | 107.9° | 109.5° |
| C06 | C07 | H071 | 107.9° | 109.5° |
| C32 | C31 | C30 | 114.1° | 120.0° |
| C32 | C31 | H312 | 123.0° | 120.0° |
| C31 | C32 | H321 | 108.5° | 109.5° |
| C31 | C32 | H322 | 108.5° | 109.5° |
| C07 | C08 | C09 | 117.4° | 109.5° |
| C08 | C07 | H072 | 107.9° | 109.5° |
| C08 | C07 | H071 | 107.9° | 109.4° |
| C07 | C08 | H082 | 107.5° | 109.4° |
| C07 | C08 | H081 | 107.5° | 109.5° |
| C31 | C30 | C29 | 114.2° | 119.9° |
| C31 | C30 | H301 | 122.9° | 120.0° |
| C30 | C31 | H312 | 122.9° | 120.1° |
| C08 | C09 | C10 | 114.8° | 109.5° |
| C08 | C09 | H092 | 108.1° | 109.5° |
| C08 | C09 | H091 | 108.1° | 109.5° |
| C09 | C08 | H082 | 107.5° | 109.5° |
| C09 | C08 | H081 | 107.5° | 109.5° |
| C30 | C29 | C28 | 116.4° | 109.5° |
| C30 | C29 | H292 | 107.7° | 109.5° |
| C30 | C29 | H291 | 107.7° | 109.5° |
| C29 | C30 | H301 | 122.9° | 120.0° |
| C09 | C10 | C11 | 115.5° | 109.5° |
| C09 | C10 | H102 | 107.9° | 109.5° |
| C09 | C10 | H101 | 107.9° | 109.4° |
| C10 | C09 | H092 | 108.1° | 109.5° |
| C10 | C09 | H091 | 108.1° | 109.4° |
| C29 | C28 | C27 | 118.3° | 120.0° |
| C29 | C28 | H282 | 120.8° | 120.0° |
| C28 | C29 | H292 | 107.7° | 109.4° |
| C28 | C29 | H291 | 107.7° | 109.5° |
| C10 | C11 | C12 | 115.1° | 109.5° |
| C11 | C10 | H102 | 107.9° | 109.5° |
| C11 | C10 | H101 | 107.9° | 109.4° |
| C10 | C11 | H111 | 108.0° | 109.5° |
| C10 | C11 | H112 | 108.0° | 109.5° |
| C28 | C27 | C26 | 115.0° | 120.0° |
| C28 | C27 | H271 | 122.5° | 120.0° |
| C27 | C28 | H282 | 120.9° | 120.0° |
| C27 | C26 | C25 | 113.5° | 109.5° |
| C27 | C26 | H261 | 108.4° | 109.4° |
| C27 | C26 | H262 | 108.4° | 109.4° |
| C26 | C27 | H271 | 122.5° | 120.0° |
| C11 | C12 | C13 | 115.3° | 109.5° |
| C12 | C11 | H111 | 108.0° | 109.5° |
| C12 | C11 | H112 | 108.0° | 109.4° |
| C11 | C12 | H122 | 108.0° | 109.5° |
| C11 | C12 | H121 | 108.0° | 109.4° |
| C26 | C25 | C24 | 116.1° | 109.5° |
| C25 | C26 | H261 | 108.5° | 109.5° |
| C25 | C26 | H262 | 108.5° | 109.5° |
| C26 | C25 | H252 | 107.8° | 109.4° |
| C26 | C25 | H251 | 107.8° | 109.5° |
| C12 | C13 | C14 | 115.2° | 109.5° |
| C13 | C12 | H122 | 108.0° | 109.5° |
| C13 | C12 | H121 | 108.0° | 109.5° |
| C12 | C13 | H132 | 108.0° | 109.5° |
| C12 | C13 | H131 | 108.0° | 109.5° |
| C25 | C24 | C22 | 115.0° | 109.5° |
| C25 | C24 | H241 | 108.1° | 109.5° |
| C25 | C24 | H242 | 108.1° | 109.5° |
| C24 | C25 | H252 | 107.8° | 109.5° |
| C24 | C25 | H251 | 107.8° | 109.5° |
| C24 | C22 | O23 | 125.7° | 120.0° |
| C24 | C22 | O21 | 115.8° | 120.0° |
| C22 | C24 | H241 | 108.1° | 109.4° |
| C22 | C24 | H242 | 108.1° | 109.4° |
| C13 | C14 | C15 | 113.6° | 109.5° |
| C13 | C14 | H142 | 108.4° | 109.4° |
| C13 | C14 | H141 | 108.4° | 109.5° |
| C14 | C13 | H132 | 108.0° | 109.5° |
| C14 | C13 | H131 | 108.0° | 109.4° |
| C14 | C15 | C16 | 115.8° | 109.5° |
| C15 | C14 | H142 | 108.4° | 109.5° |
| C15 | C14 | H141 | 108.4° | 109.5° |
| C14 | C15 | H151 | 107.9° | 109.4° |
| C14 | C15 | H152 | 107.9° | 109.5° |
| O23 | C22 | O21 | 118.5° | 120.0° |
| C22 | O21 | C20 | 117.6° | 117.0° |
| O17 | C16 | C15 | 121.6° | 120.0° |
| O17 | C16 | O18 | 121.6° | 120.0° |
| C15 | C16 | O18 | 116.8° | 120.0° |
| C16 | C15 | H151 | 107.8° | 109.5° |
| C16 | C15 | H152 | 107.8° | 109.5° |
| C16 | O18 | C19 | 117.7° | 117.0° |
| O21 | C20 | C19 | 113.0° | 109.5° |
| O21 | C20 | C39 | 106.5° | 109.4° |
| O21 | C20 | H201 | 110.9° | 109.5° |
| O63 | P41 | O42 | 123.9° | 109.5° |
| O63 | P41 | O40 | 96.3° | 109.5° |
| O63 | P41 | O43 | 115.4° | 109.4° |
| O18 | C19 | C20 | 112.7° | 109.5° |
| O18 | C19 | H191 | 108.7° | 109.5° |
| O18 | C19 | H192 | 108.6° | 109.5° |
| C19 | C20 | C39 | 109.7° | 109.5° |
| C20 | C19 | H191 | 108.7° | 109.5° |
| C20 | C19 | H192 | 108.6° | 109.5° |
| C19 | C20 | H201 | 108.7° | 109.5° |
| C20 | C39 | O40 | 112.7° | 109.5° |
| C39 | C20 | H201 | 107.9° | 109.5° |
| C20 | C39 | H392 | 108.6° | 109.4° |
| C20 | C39 | H391 | 108.7° | 109.5° |
| O42 | P41 | O40 | 94.9° | 109.5° |
| O42 | P41 | O43 | 110.8° | 109.5° |
| P41 | O42 | H1 | 109.5° | 114.0° |
| O40 | P41 | O43 | 111.3° | 109.5° |
| P41 | O40 | C39 | 119.4° | 123.0° |
| P41 | O43 | C44 | 130.6° | 123.0° |
| O40 | C39 | H392 | 108.6° | 109.5° |
| O40 | C39 | H391 | 108.7° | 109.5° |
| O43 | C44 | C45 | 110.7° | 109.5° |
| O43 | C44 | C55 | 109.5° | 109.5° |
| O43 | C44 | H441 | 110.5° | 109.4° |
| O46 | C45 | C44 | 106.8° | 109.5° |
| O46 | C45 | C47 | 109.7° | 109.5° |
| O46 | C45 | H451 | 110.4° | 109.5° |
| C45 | O46 | H461 | 109.5° | 114.0° |
| C44 | C45 | C47 | 113.7° | 109.4° |
| C45 | C44 | C55 | 108.5° | 109.5° |
| C45 | C44 | H441 | 108.7° | 109.5° |
| C44 | C45 | H451 | 108.3° | 109.4° |
| C45 | C47 | O48 | 107.6° | 109.5° |
| C45 | C47 | C53 | 106.9° | 109.5° |
| C47 | C45 | H451 | 107.9° | 109.5° |
| C45 | C47 | H471 | 108.7° | 109.5° |
| C44 | C55 | O56 | 104.7° | 109.5° |
| C44 | C55 | C54 | 112.6° | 109.4° |
| C55 | C44 | H441 | 108.8° | 109.4° |
| C44 | C55 | H551 | 108.8° | 109.5° |
| O52 | P49 | O48 | 102.3° | 109.5° |
| O52 | P49 | O51 | 113.0° | 109.5° |
| O52 | P49 | O50 | 115.0° | 109.5° |
| C47 | O48 | P49 | 126.1° | 123.0° |
| O48 | C47 | C53 | 112.2° | 109.5° |
| O48 | C47 | H471 | 112.2° | 109.5° |
| O48 | P49 | O51 | 101.1° | 109.5° |
| O48 | P49 | O50 | 109.7° | 109.5° |
| O51 | P49 | O50 | 114.0° | 109.4° |
| P49 | O51 | H3 | 109.5° | 114.0° |
| O56 | C55 | C54 | 111.6° | 109.5° |
| O56 | C55 | H551 | 110.9° | 109.5° |
| C55 | O56 | H561 | 109.5° | 114.0° |
| C55 | C54 | C53 | 106.3° | 109.5° |
| C55 | C54 | O57 | 108.2° | 109.5° |
| C55 | C54 | H541 | 109.2° | 109.5° |
| C54 | C55 | H551 | 108.3° | 109.5° |
| C47 | C53 | C54 | 113.0° | 109.5° |
| C47 | C53 | O62 | 104.0° | 109.5° |
| C53 | C47 | H471 | 109.0° | 109.4° |
| C47 | C53 | H531 | 108.5° | 109.4° |
| P49 | O50 | H2 | 109.5° | 114.0° |
| C54 | C53 | O62 | 112.1° | 109.5° |
| C53 | C54 | O57 | 110.9° | 109.5° |
| C54 | C53 | H531 | 108.3° | 109.5° |
| C53 | C54 | H541 | 109.4° | 109.5° |
| O62 | C53 | H531 | 110.8° | 109.5° |
| C53 | O62 | H621 | 109.5° | 114.0° |
| C54 | O57 | P58 | 126.4° | 123.0° |
| O57 | C54 | H541 | 112.7° | 109.5° |
| O59 | P58 | O57 | 102.4° | 109.5° |
| O59 | P58 | O60 | 113.0° | 109.5° |
| O59 | P58 | O61 | 115.1° | 109.5° |
| O57 | P58 | O60 | 103.3° | 109.5° |
| O57 | P58 | O61 | 105.3° | 109.5° |
| O60 | P58 | O61 | 115.6° | 109.5° |
| P58 | O60 | H4 | 109.5° | 114.0° |
| P58 | O61 | H5 | 109.5° | 114.0° |
| H261 | C26 | H262 | 109.4° | 109.5° |
| H102 | C10 | H101 | 109.4° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.4° |
| H122 | C12 | H121 | 109.5° | 109.5° |
| H142 | C14 | H141 | 109.5° | 109.4° |
| H151 | C15 | H152 | 109.4° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H022 | C02 | H021 | 109.5° | 109.4° |
| H032 | C03 | H031 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.4° |
| H062 | C06 | H061 | 109.5° | 109.5° |
| H092 | C09 | H091 | 109.5° | 109.5° |
| H011 | C01 | H013 | 109.5° | 109.5° |
| H011 | C01 | C1 | 107.5° | 109.4° |
| H013 | C01 | C1 | 107.5° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.4° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.5° | 109.4° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.4° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.4° |
| H372 | C37 | H371 | 109.5° | 109.4° |
| H383 | C38 | H382 | 109.5° | 109.4° |
| H383 | C38 | C3 | 99.3° | 109.5° |
| H382 | C38 | C3 | 99.4° | 109.5° |
| H392 | C39 | H391 | 109.5° | 109.4° |
| C01 | C1 | C2 | 90.0° | 109.4° |
| C01 | C1 | H6 | 90.0° | 109.4° |
| C01 | C1 | H7 | 90.0° | 109.5° |
| C2 | C1 | H6 | 90.0° | 109.5° |
| C2 | C1 | H7 | 90.0° | 109.5° |
| C1 | C2 | H8 | 90.0° | 109.5° |
| C1 | C2 | H9 | 90.0° | 109.5° |
| C1 | C2 | H10 | 90.0° | 109.4° |
| C38 | C3 | C4 | 90.0° | 109.4° |
| C38 | C3 | H11 | 90.0° | 109.5° |
| C38 | C3 | H12 | 90.0° | 109.5° |
| C3 | C4 | C5 | 90.0° | 109.5° |
| C4 | C3 | H11 | 90.0° | 109.4° |
| C4 | C3 | H12 | 90.0° | 109.5° |
| C3 | C4 | H13 | 90.0° | 109.4° |
| C3 | C4 | H14 | 90.0° | 109.5° |
| C4 | C5 | C6 | 90.0° | 109.5° |
| C5 | C4 | H13 | 90.0° | 109.5° |
| C5 | C4 | H14 | 90.0° | 109.5° |
| C4 | C5 | H15 | 90.0° | 109.5° |
| C4 | C5 | H16 | 90.0° | 109.5° |
| C6 | C5 | H15 | 90.0° | 109.5° |
| C6 | C5 | H16 | 90.0° | 109.4° |
| C5 | C6 | H17 | 90.0° | 109.4° |
| C5 | C6 | H18 | 90.0° | 109.4° |
| C5 | C6 | H19 | 90.0° | 109.5° |
| H6 | C1 | H7 | 90.0° | 109.5° |
| H8 | C2 | H9 | 90.0° | 109.5° |
| H8 | C2 | H10 | 90.0° | 109.5° |
| H9 | C2 | H10 | 90.0° | 109.5° |
| H11 | C3 | H12 | 90.0° | 109.5° |
| H13 | C4 | H14 | 90.0° | 109.5° |
| H15 | C5 | H16 | 90.0° | 109.4° |
| H17 | C6 | H18 | 90.0° | 109.5° |
| H17 | C6 | H19 | 90.0° | 109.5° |
| H18 | C6 | H19 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C38 | C37 | C36 | H372 | 120.4° | 120.0° |
| C38 | C37 | C36 | H371 | 120.3° | 120.0° |
| C38 | C37 | C36 | C35 | 107.9° | 125.0° |
| C38 | C37 | C36 | H362 | 72.1° | 55.0° |
| C38 | C37 | H372 | H371 | 118.9° | 120.0° |
| C37 | C38 | H383 | H382 | 103.5° | 119.9° |
| C37 | C38 | H383 | C3 | 153.0° | 120.0° |
| C37 | C38 | H382 | C3 | 153.0° | 120.0° |
| C37 | C38 | C3 | C4 | 90.0° | 180.0° |
| C37 | C38 | C3 | H11 | 90.0° | 60.0° |
| C37 | C38 | C3 | H12 | 90.0° | 60.0° |
| C37 | C36 | C35 | H362 | 180.0° | 180.0° |
| C37 | C36 | C35 | C34 | 168.5° | 180.0° |
| C37 | C36 | C35 | H352 | 11.6° | 0.0° |
| C36 | C37 | H372 | H371 | 118.9° | 120.0° |
| C36 | C37 | C38 | H383 | 79.6° | 59.9° |
| C36 | C37 | C38 | H382 | 168.6° | 60.0° |
| C36 | C37 | C38 | C3 | 44.5° | 180.0° |
| C36 | C35 | C34 | H352 | 180.0° | 180.0° |
| C36 | C35 | C34 | C33 | 106.5° | 180.0° |
| C36 | C35 | C34 | H342 | 73.5° | 0.0° |
| C35 | C36 | C37 | H372 | 131.7° | 115.0° |
| C35 | C36 | C37 | H371 | 12.4° | 4.9° |
| C35 | C34 | C33 | H342 | 180.0° | 179.9° |
| C35 | C34 | C33 | C32 | 158.9° | 180.0° |
| C35 | C34 | C33 | H332 | 21.1° | 0.0° |
| C34 | C35 | C36 | H362 | 11.5° | 0.0° |
| C34 | C33 | C32 | H332 | 180.0° | 180.0° |
| C34 | C33 | C32 | C31 | 77.9° | 125.0° |
| C34 | C33 | C32 | H321 | 161.5° | 5.0° |
| C34 | C33 | C32 | H322 | 42.7° | 115.0° |
| C33 | C34 | C35 | H352 | 73.5° | 0.0° |
| C33 | C32 | C31 | H321 | 120.6° | 120.0° |
| C33 | C32 | C31 | H322 | 120.6° | 120.1° |
| C33 | C32 | C31 | C30 | 123.6° | 125.0° |
| C33 | C32 | C31 | H312 | 56.4° | 55.0° |
| C33 | C32 | H321 | H322 | 118.2° | 120.0° |
| C32 | C33 | C34 | H342 | 21.1° | 0.0° |
| C01 | C02 | C03 | H022 | 120.5° | 120.0° |
| C01 | C02 | C03 | H021 | 120.5° | 120.0° |
| C01 | C02 | C03 | C04 | 154.2° | 180.0° |
| C01 | C02 | H022 | H021 | 118.5° | 120.0° |
| C01 | C02 | C03 | H032 | 85.4° | 60.0° |
| C01 | C02 | C03 | H031 | 33.7° | 60.0° |
| C02 | C01 | H011 | H013 | 116.5° | 120.0° |
| C02 | C01 | H011 | C1 | 127.0° | 120.0° |
| C02 | C01 | H013 | C1 | 127.0° | 120.0° |
| C02 | C01 | C1 | C2 | 90.0° | 180.0° |
| C02 | C01 | C1 | H6 | 90.0° | 60.0° |
| C02 | C01 | C1 | H7 | 90.0° | 60.0° |
| C02 | C03 | C04 | H032 | 120.4° | 120.0° |
| C02 | C03 | C04 | H031 | 120.5° | 120.0° |
| C02 | C03 | C04 | C05 | 155.0° | 180.0° |
| C03 | C02 | H022 | H021 | 118.4° | 120.0° |
| C02 | C03 | H032 | H031 | 118.6° | 120.0° |
| C02 | C03 | C04 | H041 | 84.1° | 60.0° |
| C02 | C03 | C04 | H042 | 34.2° | 60.0° |
| C03 | C02 | C01 | H011 | 49.9° | 60.0° |
| C03 | C02 | C01 | H013 | 67.9° | 60.0° |
| C03 | C02 | C01 | C1 | 171.0° | 180.0° |
| C03 | C04 | C05 | H041 | 120.9° | 120.0° |
| C03 | C04 | C05 | H042 | 120.8° | 120.1° |
| C03 | C04 | C05 | C06 | 129.4° | 180.0° |
| C04 | C03 | C02 | H022 | 33.7° | 60.0° |
| C04 | C03 | C02 | H021 | 85.3° | 60.0° |
| C04 | C03 | H032 | H031 | 118.6° | 120.1° |
| C03 | C04 | H041 | H042 | 117.3° | 120.1° |
| C03 | C04 | C05 | H052 | 110.1° | 60.0° |
| C03 | C04 | C05 | H051 | 8.8° | 60.0° |
| C04 | C05 | C06 | H052 | 120.5° | 120.0° |
| C04 | C05 | C06 | H051 | 120.6° | 120.0° |
| C04 | C05 | C06 | C07 | 150.9° | 180.0° |
| C05 | C04 | C03 | H032 | 34.6° | 60.0° |
| C05 | C04 | C03 | H031 | 84.5° | 60.0° |
| C05 | C04 | H041 | H042 | 117.3° | 120.0° |
| C04 | C05 | C06 | H062 | 88.0° | 60.0° |
| C04 | C05 | C06 | H061 | 29.8° | 60.0° |
| C04 | C05 | H052 | H051 | 118.3° | 120.0° |
| C05 | C06 | C07 | H062 | 121.1° | 120.0° |
| C05 | C06 | C07 | H061 | 121.1° | 120.0° |
| C05 | C06 | C07 | C08 | 46.8° | 180.0° |
| C06 | C05 | C04 | H041 | 8.5° | 60.0° |
| C06 | C05 | C04 | H042 | 109.8° | 60.0° |
| C05 | C06 | H062 | H061 | 116.6° | 120.0° |
| C06 | C05 | H052 | H051 | 118.2° | 120.0° |
| C05 | C06 | C07 | H072 | 167.7° | 60.0° |
| C05 | C06 | C07 | H071 | 74.1° | 60.1° |
| C06 | C07 | C08 | H072 | 120.9° | 120.0° |
| C06 | C07 | C08 | H071 | 120.9° | 120.0° |
| C06 | C07 | C08 | C09 | 93.6° | 180.0° |
| C07 | C06 | H062 | H061 | 116.6° | 120.0° |
| C07 | C06 | C05 | H052 | 30.3° | 59.9° |
| C07 | C06 | C05 | H051 | 88.5° | 60.0° |
| C06 | C07 | H072 | H071 | 117.2° | 120.1° |
| C06 | C07 | C08 | H082 | 27.5° | 60.0° |
| C06 | C07 | C08 | H081 | 145.3° | 59.9° |
| C32 | C31 | C30 | H312 | 180.0° | 180.0° |
| C32 | C31 | C30 | C29 | 108.2° | 180.0° |
| C32 | C31 | C30 | H301 | 71.8° | 0.0° |
| C31 | C32 | H321 | H322 | 118.2° | 120.0° |
| C31 | C32 | C33 | H332 | 102.1° | 55.0° |
| C07 | C08 | C09 | H082 | 121.1° | 120.0° |
| C07 | C08 | C09 | H081 | 121.1° | 120.0° |
| C07 | C08 | C09 | C10 | 139.4° | 179.9° |
| C08 | C07 | C06 | H062 | 74.3° | 60.0° |
| C08 | C07 | C06 | H061 | 167.9° | 60.0° |
| C07 | C08 | C09 | H092 | 18.6° | 60.0° |
| C07 | C08 | C09 | H091 | 99.8° | 60.0° |
| C08 | C07 | H072 | H071 | 117.2° | 120.0° |
| C07 | C08 | H082 | H081 | 116.4° | 120.0° |
| C31 | C30 | C29 | H301 | 180.0° | 180.0° |
| C31 | C30 | C29 | C28 | 111.4° | 125.0° |
| C31 | C30 | C29 | H292 | 9.5° | 5.0° |
| C31 | C30 | C29 | H291 | 127.6° | 115.0° |
| C30 | C31 | C32 | H321 | 3.0° | 115.0° |
| C30 | C31 | C32 | H322 | 115.8° | 5.0° |
| C08 | C09 | C10 | H092 | 120.8° | 120.0° |
| C08 | C09 | C10 | H091 | 120.8° | 120.0° |
| C08 | C09 | C10 | C11 | 113.4° | 180.0° |
| C08 | C09 | C10 | H102 | 7.5° | 60.0° |
| C08 | C09 | C10 | H101 | 125.7° | 60.0° |
| C08 | C09 | H092 | H091 | 117.6° | 120.0° |
| C09 | C08 | C07 | H072 | 145.5° | 60.0° |
| C09 | C08 | C07 | H071 | 27.3° | 60.0° |
| C09 | C08 | H082 | H081 | 116.4° | 120.0° |
| C30 | C29 | C28 | H292 | 121.0° | 120.0° |
| C30 | C29 | C28 | H291 | 121.0° | 120.0° |
| C30 | C29 | C28 | C27 | 150.7° | 125.0° |
| C30 | C29 | C28 | H282 | 29.3° | 55.0° |
| C30 | C29 | H292 | H291 | 116.9° | 120.0° |
| C29 | C30 | C31 | H312 | 71.8° | 0.0° |
| C09 | C10 | C11 | H102 | 120.9° | 120.0° |
| C09 | C10 | C11 | H101 | 120.9° | 119.9° |
| C09 | C10 | C11 | C12 | 175.2° | 179.9° |
| C09 | C10 | H102 | H101 | 117.2° | 120.0° |
| C09 | C10 | C11 | H111 | 54.4° | 60.0° |
| C09 | C10 | C11 | H112 | 64.0° | 60.0° |
| C10 | C09 | H092 | H091 | 117.6° | 119.9° |
| C10 | C09 | C08 | H082 | 99.5° | 60.0° |
| C10 | C09 | C08 | H081 | 18.3° | 60.0° |
| C29 | C28 | C27 | H282 | 180.0° | 179.9° |
| C29 | C28 | C27 | C26 | 153.2° | 180.0° |
| C29 | C28 | C27 | H271 | 26.8° | 0.1° |
| C28 | C29 | H292 | H291 | 116.9° | 120.0° |
| C28 | C29 | C30 | H301 | 68.6° | 55.0° |
| C10 | C11 | C12 | H111 | 120.8° | 120.0° |
| C10 | C11 | C12 | H112 | 120.8° | 120.0° |
| C10 | C11 | C12 | C13 | 149.3° | 180.0° |
| C11 | C10 | H102 | H101 | 117.2° | 120.0° |
| C10 | C11 | H111 | H112 | 117.4° | 120.0° |
| C10 | C11 | C12 | H122 | 28.4° | 60.0° |
| C10 | C11 | C12 | H121 | 89.9° | 60.0° |
| C11 | C10 | C09 | H092 | 125.8° | 60.0° |
| C11 | C10 | C09 | H091 | 7.4° | 60.0° |
| C28 | C27 | C26 | H271 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 101.9° | 125.1° |
| C28 | C27 | C26 | H261 | 18.7° | 115.0° |
| C28 | C27 | C26 | H262 | 137.4° | 5.0° |
| C27 | C28 | C29 | H292 | 29.8° | 115.0° |
| C27 | C28 | C29 | H291 | 88.3° | 4.9° |
| C27 | C26 | C25 | H261 | 120.6° | 119.9° |
| C27 | C26 | C25 | H262 | 120.6° | 120.0° |
| C27 | C26 | C25 | C24 | 165.7° | 180.0° |
| C27 | C26 | H261 | H262 | 118.1° | 119.9° |
| C27 | C26 | C25 | H252 | 73.3° | 60.0° |
| C27 | C26 | C25 | H251 | 44.7° | 59.9° |
| C26 | C27 | C28 | H282 | 26.8° | 0.0° |
| C11 | C12 | C13 | H122 | 120.8° | 120.0° |
| C11 | C12 | C13 | H121 | 120.9° | 120.0° |
| C11 | C12 | C13 | C14 | 41.7° | 180.0° |
| C12 | C11 | C10 | H102 | 63.9° | 60.0° |
| C12 | C11 | C10 | H101 | 54.3° | 60.0° |
| C12 | C11 | H111 | H112 | 117.4° | 120.0° |
| C11 | C12 | H122 | H121 | 117.4° | 120.0° |
| C11 | C12 | C13 | H132 | 79.1° | 60.0° |
| C11 | C12 | C13 | H131 | 162.5° | 60.0° |
| C26 | C25 | C24 | H252 | 120.9° | 120.0° |
| C26 | C25 | C24 | H251 | 121.0° | 120.1° |
| C26 | C25 | C24 | C22 | 124.4° | 180.0° |
| C25 | C26 | H261 | H262 | 118.2° | 120.1° |
| C25 | C26 | C27 | H271 | 78.0° | 55.0° |
| C26 | C25 | C24 | H241 | 3.6° | 60.0° |
| C26 | C25 | C24 | H242 | 114.8° | 60.1° |
| C26 | C25 | H252 | H251 | 117.0° | 120.0° |
| C12 | C13 | C14 | H132 | 120.8° | 120.0° |
| C12 | C13 | C14 | H131 | 120.8° | 120.0° |
| C12 | C13 | C14 | C15 | 175.8° | 180.0° |
| C13 | C12 | C11 | H111 | 89.9° | 59.9° |
| C13 | C12 | C11 | H112 | 28.5° | 60.0° |
| C13 | C12 | H122 | H121 | 117.3° | 120.0° |
| C12 | C13 | C14 | H142 | 55.2° | 60.0° |
| C12 | C13 | C14 | H141 | 63.5° | 59.9° |
| C12 | C13 | H132 | H131 | 117.4° | 120.0° |
| C25 | C24 | C22 | H241 | 120.8° | 120.0° |
| C25 | C24 | C22 | H242 | 120.8° | 120.0° |
| C25 | C24 | C22 | O23 | 2.0° | 0.0° |
| C25 | C24 | C22 | O21 | 178.0° | 180.0° |
| C24 | C25 | C26 | H261 | 45.1° | 60.1° |
| C24 | C25 | C26 | H262 | 73.7° | 60.0° |
| C25 | C24 | H241 | H242 | 117.5° | 120.1° |
| C24 | C25 | H252 | H251 | 117.0° | 120.0° |
| C24 | C22 | O23 | O21 | 180.0° | 180.0° |
| C24 | C22 | O21 | C20 | 135.0° | 180.0° |
| C22 | C24 | H241 | H242 | 117.5° | 119.9° |
| C22 | C24 | C25 | H252 | 114.7° | 60.0° |
| C22 | C24 | C25 | H251 | 3.4° | 60.0° |
| C13 | C14 | C15 | H142 | 120.6° | 120.0° |
| C13 | C14 | C15 | H141 | 120.6° | 120.0° |
| C13 | C14 | C15 | C16 | 166.6° | 180.0° |
| C14 | C13 | C12 | H122 | 162.6° | 60.0° |
| C14 | C13 | C12 | H121 | 79.1° | 60.0° |
| C13 | C14 | H142 | H141 | 118.1° | 120.0° |
| C13 | C14 | C15 | H151 | 72.5° | 60.0° |
| C13 | C14 | C15 | H152 | 45.7° | 60.0° |
| C14 | C13 | H132 | H131 | 117.4° | 120.0° |
| C14 | C15 | C16 | O17 | 17.1° | 0.0° |
| C14 | C15 | C16 | H151 | 120.9° | 120.0° |
| C14 | C15 | C16 | H152 | 121.0° | 120.0° |
| C14 | C15 | C16 | O18 | 163.4° | 180.0° |
| C15 | C14 | H142 | H141 | 118.1° | 120.0° |
| C14 | C15 | H151 | H152 | 117.1° | 120.0° |
| C15 | C14 | C13 | H132 | 63.4° | 60.0° |
| C15 | C14 | C13 | H131 | 55.0° | 60.0° |
| O23 | C22 | O21 | C20 | 45.0° | 0.0° |
| O23 | C22 | C24 | H241 | 122.8° | 120.0° |
| O23 | C22 | C24 | H242 | 118.8° | 120.0° |
| C22 | O21 | C20 | C19 | 110.5° | 150.0° |
| C22 | O21 | C20 | C39 | 129.0° | 90.0° |
| C22 | O21 | C20 | H201 | 11.8° | 30.0° |
| O21 | C22 | C24 | H241 | 57.2° | 60.0° |
| O21 | C22 | C24 | H242 | 61.2° | 60.0° |
| O17 | C16 | C15 | O18 | 179.4° | 179.9° |
| O17 | C16 | O18 | C19 | 94.7° | 0.1° |
| O17 | C16 | C15 | H151 | 103.8° | 120.0° |
| O17 | C16 | C15 | H152 | 138.1° | 120.0° |
| C15 | C16 | O18 | C19 | 84.7° | 180.0° |
| C16 | C15 | C14 | H142 | 46.0° | 60.0° |
| C16 | C15 | C14 | H141 | 72.8° | 60.0° |
| C16 | C15 | H151 | H152 | 117.1° | 120.0° |
| C16 | O18 | C19 | C20 | 67.1° | 180.0° |
| O18 | C16 | C15 | H151 | 75.6° | 60.0° |
| O18 | C16 | C15 | H152 | 42.5° | 60.0° |
| C16 | O18 | C19 | H191 | 53.4° | 60.1° |
| C16 | O18 | C19 | H192 | 172.4° | 59.9° |
| O21 | C20 | C19 | O18 | 91.4° | 65.0° |
| O21 | C20 | C19 | C39 | 118.6° | 119.9° |
| O21 | C20 | C19 | H201 | 123.5° | 120.0° |
| O21 | C20 | C39 | H201 | 119.1° | 120.0° |
| O21 | C20 | C39 | O40 | 67.7° | 65.0° |
| O21 | C20 | C19 | H191 | 29.1° | 55.0° |
| O21 | C20 | C19 | H192 | 148.1° | 175.0° |
| O21 | C20 | C39 | H392 | 52.8° | 175.0° |
| O21 | C20 | C39 | H391 | 171.8° | 55.1° |
| O63 | P41 | O42 | O40 | 101.0° | 120.0° |
| O63 | P41 | O42 | O43 | 144.0° | 120.0° |
| O63 | P41 | O40 | O43 | 120.5° | 120.0° |
| O63 | P41 | O40 | C39 | 53.4° | 55.0° |
| O63 | P41 | O43 | C44 | 179.6° | 55.0° |
| O63 | P41 | O42 | H1 | 0.0° | 180.0° |
| O18 | C19 | C20 | H191 | 120.5° | 120.0° |
| O18 | C19 | C20 | H192 | 120.5° | 120.0° |
| O18 | C19 | C20 | C39 | 149.9° | 55.0° |
| O18 | C19 | H191 | H192 | 118.5° | 120.0° |
| O18 | C19 | C20 | H201 | 32.1° | 175.0° |
| C19 | C20 | C39 | H201 | 118.3° | 120.1° |
| C19 | C20 | C39 | O40 | 169.7° | 55.0° |
| C20 | C19 | H191 | H192 | 118.5° | 120.0° |
| C19 | C20 | C39 | H392 | 69.8° | 65.0° |
| C19 | C20 | C39 | H391 | 49.2° | 175.0° |
| C20 | C39 | O40 | P41 | 105.7° | 180.0° |
| C20 | C39 | O40 | H392 | 120.5° | 120.0° |
| C20 | C39 | O40 | H391 | 120.5° | 120.0° |
| C39 | C20 | C19 | H191 | 89.6° | 175.0° |
| C39 | C20 | C19 | H192 | 29.4° | 65.0° |
| C20 | C39 | H392 | H391 | 118.5° | 119.9° |
| O42 | P41 | O40 | O43 | 114.6° | 120.0° |
| O42 | P41 | O40 | C39 | 178.4° | 65.0° |
| O42 | P41 | O43 | C44 | 32.3° | 65.0° |
| O40 | P41 | O43 | C44 | 72.0° | 175.0° |
| P41 | O40 | C39 | H392 | 14.8° | 60.0° |
| P41 | O40 | C39 | H391 | 133.8° | 60.0° |
| O40 | P41 | O42 | H1 | 101.0° | 60.0° |
| O43 | P41 | O40 | C39 | 67.0° | 175.0° |
| P41 | O43 | C44 | C45 | 62.9° | 120.0° |
| P41 | O43 | C44 | C55 | 56.7° | 120.0° |
| P41 | O43 | C44 | H441 | 176.6° | 0.1° |
| O43 | P41 | O42 | H1 | 144.0° | 60.0° |
| O40 | C39 | C20 | H201 | 51.4° | 175.0° |
| O40 | C39 | H392 | H391 | 118.5° | 120.1° |
| O43 | C44 | C45 | O46 | 56.1° | 60.0° |
| O43 | C44 | C45 | C55 | 120.2° | 120.0° |
| O43 | C44 | C45 | H441 | 121.6° | 120.0° |
| O43 | C44 | C45 | C47 | 177.3° | 180.0° |
| O43 | C44 | C55 | H441 | 120.9° | 119.9° |
| O43 | C44 | C55 | O56 | 59.1° | 60.0° |
| O43 | C44 | C55 | C54 | 179.5° | 180.0° |
| O43 | C44 | C45 | H451 | 62.8° | 60.0° |
| O43 | C44 | C55 | H551 | 59.5° | 60.0° |
| O46 | C45 | C44 | C47 | 121.2° | 120.0° |
| O46 | C45 | C44 | H451 | 118.9° | 120.0° |
| O46 | C45 | C47 | H451 | 120.3° | 120.1° |
| O46 | C45 | C44 | C55 | 64.1° | 60.0° |
| O46 | C45 | C47 | O48 | 57.6° | 60.0° |
| O46 | C45 | C47 | C53 | 63.1° | 60.0° |
| O46 | C45 | C44 | H441 | 177.7° | 180.0° |
| O46 | C45 | C47 | H471 | 179.4° | 180.0° |
| C44 | C45 | C47 | H451 | 120.1° | 120.0° |
| C45 | C44 | C55 | H441 | 118.1° | 120.1° |
| C44 | C45 | C47 | O48 | 177.2° | 180.0° |
| C45 | C44 | C55 | O56 | 179.9° | 180.0° |
| C45 | C44 | C55 | C54 | 58.5° | 60.0° |
| C44 | C45 | C47 | C53 | 56.4° | 60.0° |
| C44 | C45 | C47 | H471 | 61.1° | 60.0° |
| C45 | C44 | C55 | H551 | 61.5° | 60.0° |
| C44 | C45 | O46 | H461 | 180.0° | 180.0° |
| C47 | C45 | C44 | C55 | 57.1° | 60.0° |
| C45 | C47 | O48 | C53 | 117.4° | 120.0° |
| C45 | C47 | O48 | H471 | 119.6° | 120.0° |
| C45 | C47 | O48 | P49 | 136.4° | 120.0° |
| C45 | C47 | C53 | H471 | 117.4° | 120.0° |
| C45 | C47 | C53 | C54 | 58.4° | 60.0° |
| C45 | C47 | C53 | O62 | 179.7° | 180.0° |
| C47 | C45 | C44 | H441 | 61.1° | 60.0° |
| C45 | C47 | C53 | H531 | 61.7° | 60.0° |
| C47 | C45 | O46 | H461 | 56.3° | 60.0° |
| C44 | C55 | O56 | C54 | 122.0° | 120.0° |
| C44 | C55 | O56 | H551 | 117.2° | 120.0° |
| C44 | C55 | C54 | H551 | 120.4° | 120.0° |
| C44 | C55 | C54 | C53 | 59.5° | 60.0° |
| C44 | C55 | C54 | O57 | 178.6° | 180.0° |
| C55 | C44 | C45 | H451 | 177.0° | 180.0° |
| C44 | C55 | C54 | H541 | 58.4° | 60.0° |
| C44 | C55 | O56 | H561 | 175.5° | 180.0° |
| O52 | P49 | O48 | C47 | 176.5° | 55.0° |
| O52 | P49 | O48 | O51 | 116.8° | 120.0° |
| O52 | P49 | O48 | O50 | 122.5° | 120.1° |
| O52 | P49 | O51 | O50 | 133.8° | 120.0° |
| O52 | P49 | O50 | H2 | 0.0° | 59.9° |
| O52 | P49 | O51 | H3 | 0.0° | 180.0° |
| C47 | O48 | P49 | O51 | 66.7° | 65.0° |
| O48 | C47 | C53 | H471 | 124.9° | 120.0° |
| C47 | O48 | P49 | O50 | 54.0° | 175.0° |
| O48 | C47 | C53 | C54 | 176.2° | 180.0° |
| O48 | C47 | C53 | O62 | 62.0° | 60.0° |
| O48 | C47 | C45 | H451 | 62.7° | 60.0° |
| O48 | C47 | C53 | H531 | 56.1° | 60.0° |
| O48 | P49 | O51 | O50 | 117.6° | 120.0° |
| P49 | O48 | C47 | C53 | 106.2° | 120.0° |
| P49 | O48 | C47 | H471 | 16.9° | 0.0° |
| O48 | P49 | O50 | H2 | 114.6° | 180.0° |
| O48 | P49 | O51 | H3 | 108.6° | 60.0° |
| O51 | P49 | O50 | H2 | 132.8° | 60.1° |
| O56 | C55 | C54 | H551 | 122.3° | 120.0° |
| O56 | C55 | C54 | C53 | 176.9° | 180.0° |
| O56 | C55 | C54 | O57 | 64.0° | 60.0° |
| O56 | C55 | C44 | H441 | 61.8° | 59.9° |
| O56 | C55 | C54 | H541 | 58.9° | 60.0° |
| C55 | C54 | C53 | C47 | 60.0° | 60.0° |
| C55 | C54 | C53 | O57 | 117.3° | 120.0° |
| C55 | C54 | C53 | H541 | 117.8° | 120.0° |
| C55 | C54 | C53 | O62 | 177.2° | 180.0° |
| C55 | C54 | O57 | H541 | 120.8° | 120.0° |
| C55 | C54 | O57 | P58 | 77.5° | 120.0° |
| C54 | C55 | C44 | H441 | 59.6° | 60.1° |
| C55 | C54 | C53 | H531 | 60.2° | 60.0° |
| C54 | C55 | O56 | H561 | 53.5° | 60.0° |
| C47 | C53 | C54 | O62 | 117.2° | 120.0° |
| C47 | C53 | C54 | H531 | 120.2° | 120.0° |
| C47 | C53 | O62 | H531 | 116.4° | 120.0° |
| C47 | C53 | C54 | O57 | 177.3° | 180.0° |
| C53 | C47 | C45 | H451 | 176.5° | 180.0° |
| C47 | C53 | C54 | H541 | 57.8° | 60.0° |
| C47 | C53 | O62 | H621 | 180.0° | 180.0° |
| O50 | P49 | O51 | H3 | 133.8° | 60.0° |
| C54 | C53 | O62 | H531 | 121.2° | 120.0° |
| C53 | C54 | O57 | H541 | 123.0° | 120.0° |
| C53 | C54 | O57 | P58 | 166.3° | 120.0° |
| C54 | C53 | C47 | H471 | 59.0° | 60.0° |
| C53 | C54 | C55 | H551 | 60.8° | 60.0° |
| C54 | C53 | O62 | H621 | 57.5° | 60.0° |
| O62 | C53 | C54 | O57 | 65.5° | 60.0° |
| O62 | C53 | C47 | H471 | 62.9° | 60.0° |
| O62 | C53 | C54 | H541 | 59.4° | 60.0° |
| C54 | O57 | P58 | O59 | 88.2° | 55.0° |
| C54 | O57 | P58 | O60 | 29.4° | 175.0° |
| C54 | O57 | P58 | O61 | 151.0° | 65.0° |
| O57 | C54 | C53 | H531 | 57.1° | 60.0° |
| O57 | C54 | C55 | H551 | 58.3° | 60.0° |
| O59 | P58 | O57 | O60 | 117.6° | 120.0° |
| O59 | P58 | O57 | O61 | 120.8° | 120.0° |
| O59 | P58 | O60 | O61 | 135.6° | 120.0° |
| O59 | P58 | O60 | H4 | 0.0° | 59.9° |
| O59 | P58 | O61 | H5 | 0.0° | 180.0° |
| O57 | P58 | O60 | O61 | 114.5° | 120.0° |
| P58 | O57 | C54 | H541 | 43.3° | 0.0° |
| O57 | P58 | O60 | H4 | 109.9° | 179.9° |
| O57 | P58 | O61 | H5 | 112.0° | 60.0° |
| O60 | P58 | O61 | H5 | 134.7° | 60.0° |
| O61 | P58 | O60 | H4 | 135.7° | 60.1° |
| H261 | C26 | C27 | H271 | 161.3° | 65.0° |
| H261 | C26 | C25 | H252 | 166.0° | 179.9° |
| H261 | C26 | C25 | H251 | 75.9° | 60.0° |
| H262 | C26 | C27 | H271 | 42.6° | 175.1° |
| H262 | C26 | C25 | H252 | 47.3° | 60.0° |
| H262 | C26 | C25 | H251 | 165.4° | 180.0° |
| H102 | C10 | C11 | H111 | 175.3° | 60.0° |
| H102 | C10 | C11 | H112 | 56.9° | 180.0° |
| H102 | C10 | C09 | H092 | 113.3° | 180.0° |
| H102 | C10 | C09 | H091 | 128.3° | 60.0° |
| H101 | C10 | C11 | H111 | 66.5° | 180.0° |
| H101 | C10 | C11 | H112 | 175.1° | 60.0° |
| H101 | C10 | C09 | H092 | 4.9° | 60.0° |
| H101 | C10 | C09 | H091 | 113.5° | 180.0° |
| H111 | C11 | C12 | H122 | 149.3° | 179.9° |
| H111 | C11 | C12 | H121 | 30.9° | 60.0° |
| H112 | C11 | C12 | H122 | 92.4° | 60.0° |
| H112 | C11 | C12 | H121 | 149.3° | 180.0° |
| H122 | C12 | C13 | H132 | 41.7° | 180.0° |
| H122 | C12 | C13 | H131 | 76.6° | 60.0° |
| H121 | C12 | C13 | H132 | 160.1° | 60.0° |
| H121 | C12 | C13 | H131 | 41.7° | NaN° |
| H142 | C14 | C15 | H151 | 166.9° | 60.0° |
| H142 | C14 | C15 | H152 | 75.0° | 180.0° |
| H142 | C14 | C13 | H132 | 176.1° | 60.0° |
| H142 | C14 | C13 | H131 | 65.6° | 180.0° |
| H141 | C14 | C15 | H151 | 48.2° | 180.0° |
| H141 | C14 | C15 | H152 | 166.3° | 60.0° |
| H141 | C14 | C13 | H132 | 57.3° | 179.9° |
| H141 | C14 | C13 | H131 | 175.6° | 60.0° |
| H191 | C19 | C20 | H201 | 152.6° | 65.0° |
| H192 | C19 | C20 | H201 | 88.4° | 55.0° |
| H201 | C20 | C39 | H392 | 171.8° | 55.0° |
| H201 | C20 | C39 | H391 | 69.1° | 64.9° |
| H022 | C02 | C03 | H032 | 154.1° | 60.0° |
| H022 | C02 | C03 | H031 | 86.8° | 180.0° |
| H022 | C02 | C01 | H011 | 70.7° | 180.0° |
| H022 | C02 | C01 | H013 | 171.5° | 60.1° |
| H022 | C02 | C01 | C1 | 50.5° | 60.0° |
| H021 | C02 | C03 | H032 | 35.1° | 180.0° |
| H021 | C02 | C03 | H031 | 154.2° | 60.0° |
| H021 | C02 | C01 | H011 | 170.3° | 60.0° |
| H021 | C02 | C01 | H013 | 52.6° | 180.0° |
| H021 | C02 | C01 | C1 | 68.5° | 59.9° |
| H032 | C03 | C04 | H041 | 155.4° | 180.0° |
| H032 | C03 | C04 | H042 | 86.3° | 60.0° |
| H031 | C03 | C04 | H041 | 36.4° | 60.0° |
| H031 | C03 | C04 | H042 | 154.6° | 180.0° |
| H041 | C04 | C05 | H052 | 129.1° | 180.0° |
| H041 | C04 | C05 | H051 | 112.1° | 60.0° |
| H042 | C04 | C05 | H052 | 10.8° | 60.1° |
| H042 | C04 | C05 | H051 | 129.7° | 179.9° |
| H062 | C06 | C05 | H052 | 151.4° | 179.9° |
| H062 | C06 | C05 | H051 | 32.5° | 60.0° |
| H062 | C06 | C07 | H072 | 46.7° | 180.0° |
| H062 | C06 | C07 | H071 | 164.8° | 59.9° |
| H061 | C06 | C05 | H052 | 90.7° | 60.0° |
| H061 | C06 | C05 | H051 | 150.4° | 180.0° |
| H061 | C06 | C07 | H072 | 71.2° | 60.0° |
| H061 | C06 | C07 | H071 | 47.0° | 180.0° |
| H092 | C09 | C08 | H082 | 139.7° | 180.0° |
| H092 | C09 | C08 | H081 | 102.5° | 60.0° |
| H091 | C09 | C08 | H082 | 21.3° | 60.0° |
| H091 | C09 | C08 | H081 | 139.1° | 179.9° |
| H271 | C27 | C28 | H282 | 153.2° | 180.0° |
| H011 | C01 | H013 | C1 | 116.5° | 120.0° |
| H011 | C01 | C1 | C2 | 90.0° | 60.0° |
| H011 | C01 | C1 | H6 | 90.0° | 180.0° |
| H011 | C01 | C1 | H7 | 90.0° | 60.0° |
| H013 | C01 | C1 | C2 | 90.0° | 60.0° |
| H013 | C01 | C1 | H6 | 90.0° | 60.0° |
| H013 | C01 | C1 | H7 | 90.0° | 180.0° |
| H072 | C07 | C08 | H082 | 93.4° | 60.0° |
| H072 | C07 | C08 | H081 | 24.4° | 179.9° |
| H071 | C07 | C08 | H082 | 148.4° | 180.0° |
| H071 | C07 | C08 | H081 | 93.8° | 60.1° |
| H241 | C24 | C25 | H252 | 124.5° | 60.0° |
| H241 | C24 | C25 | H251 | 117.4° | 179.9° |
| H242 | C24 | C25 | H252 | 6.1° | 180.0° |
| H242 | C24 | C25 | H251 | 124.2° | 60.0° |
| H282 | C28 | C29 | H292 | 150.3° | 65.1° |
| H282 | C28 | C29 | H291 | 91.7° | 175.0° |
| H292 | C29 | C30 | H301 | 170.4° | 175.0° |
| H291 | C29 | C30 | H301 | 52.4° | 65.0° |
| H301 | C30 | C31 | H312 | 108.2° | 180.0° |
| H312 | C31 | C32 | H321 | 177.0° | 65.0° |
| H312 | C31 | C32 | H322 | 64.2° | 175.1° |
| H321 | C32 | C33 | H332 | 18.5° | 175.0° |
| H322 | C32 | C33 | H332 | 137.3° | 65.0° |
| H332 | C33 | C34 | H342 | 158.9° | 179.9° |
| H342 | C34 | C35 | H352 | 106.5° | 179.9° |
| H352 | C35 | C36 | H362 | 168.4° | 179.9° |
| H362 | C36 | C37 | H372 | 48.3° | 65.0° |
| H362 | C36 | C37 | H371 | 167.6° | 175.1° |
| H372 | C37 | C38 | H383 | 160.0° | 179.9° |
| H372 | C37 | C38 | H382 | 48.3° | 60.0° |
| H372 | C37 | C38 | C3 | 75.8° | 60.0° |
| H371 | C37 | C38 | H383 | 40.7° | 60.1° |
| H371 | C37 | C38 | H382 | 71.0° | 180.0° |
| H371 | C37 | C38 | C3 | 164.9° | 60.0° |
| H383 | C38 | H382 | C3 | 103.5° | 120.1° |
| H383 | C38 | C3 | C4 | 90.0° | 60.0° |
| H383 | C38 | C3 | H11 | 90.0° | 180.0° |
| H383 | C38 | C3 | H12 | 90.0° | 60.0° |
| H382 | C38 | C3 | C4 | 90.0° | 60.0° |
| H382 | C38 | C3 | H11 | 90.0° | 60.0° |
| H382 | C38 | C3 | H12 | 90.0° | 180.0° |
| H441 | C44 | C45 | H451 | 58.8° | 60.0° |
| H441 | C44 | C55 | H551 | 179.6° | 180.0° |
| H451 | C45 | C47 | H471 | 59.0° | 60.0° |
| H451 | C45 | O46 | H461 | 62.5° | 60.0° |
| H471 | C47 | C53 | H531 | 179.1° | 180.0° |
| H531 | C53 | C54 | H541 | 178.0° | 180.0° |
| H531 | C53 | O62 | H621 | 63.6° | 60.1° |
| H541 | C54 | C55 | H551 | 178.8° | 180.0° |
| H551 | C55 | O56 | H561 | 67.3° | 60.0° |
| C01 | C1 | C2 | H6 | 90.0° | 119.9° |
| C01 | C1 | C2 | H7 | 90.0° | 120.0° |
| C01 | C1 | H6 | H7 | 90.0° | 120.0° |
| C01 | C1 | C2 | H8 | 90.0° | 60.0° |
| C01 | C1 | C2 | H9 | 90.0° | 60.0° |
| C01 | C1 | C2 | H10 | 90.0° | 179.9° |
| C2 | C1 | H6 | H7 | 90.0° | 120.1° |
| C1 | C2 | H8 | H9 | 90.0° | 120.0° |
| C1 | C2 | H8 | H10 | 90.0° | 119.9° |
| C1 | C2 | H9 | H10 | 90.0° | 119.9° |
| C38 | C3 | C4 | H11 | 90.0° | 120.0° |
| C38 | C3 | C4 | H12 | 90.0° | 120.0° |
| C38 | C3 | C4 | C5 | 90.0° | 180.0° |
| C38 | C3 | H11 | H12 | 90.0° | 120.0° |
| C38 | C3 | C4 | H13 | 90.0° | 60.0° |
| C38 | C3 | C4 | H14 | 90.0° | 60.0° |
| C3 | C4 | C5 | H13 | 90.0° | 119.9° |
| C3 | C4 | C5 | H14 | 90.0° | 120.0° |
| C3 | C4 | C5 | C6 | 90.0° | 180.0° |
| C4 | C3 | H11 | H12 | 90.0° | 120.0° |
| C3 | C4 | H13 | H14 | 90.0° | 120.0° |
| C3 | C4 | C5 | H15 | 90.0° | 60.0° |
| C3 | C4 | C5 | H16 | 90.0° | 60.0° |
| C4 | C5 | C6 | H15 | 90.0° | 120.0° |
| C4 | C5 | C6 | H16 | 90.0° | 120.0° |
| C5 | C4 | C3 | H11 | 90.0° | 60.0° |
| C5 | C4 | C3 | H12 | 90.0° | 60.0° |
| C5 | C4 | H13 | H14 | 90.0° | 120.0° |
| C4 | C5 | H15 | H16 | 90.0° | 120.0° |
| C4 | C5 | C6 | H17 | 90.0° | 60.0° |
| C4 | C5 | C6 | H18 | 90.0° | 60.0° |
| C4 | C5 | C6 | H19 | 90.0° | 180.0° |
| C6 | C5 | C4 | H13 | 90.0° | 60.0° |
| C6 | C5 | C4 | H14 | 90.0° | 60.0° |
| C6 | C5 | H15 | H16 | 90.0° | 119.9° |
| C5 | C6 | H17 | H18 | 90.0° | 120.0° |
| C5 | C6 | H17 | H19 | 90.0° | 120.0° |
| C5 | C6 | H18 | H19 | 90.0° | 120.0° |
| H6 | C1 | C2 | H8 | 90.0° | 180.0° |
| H6 | C1 | C2 | H9 | 90.0° | 59.9° |
| H6 | C1 | C2 | H10 | 90.0° | 60.0° |
| H7 | C1 | C2 | H8 | 90.0° | 60.0° |
| H7 | C1 | C2 | H9 | 90.0° | 180.0° |
| H7 | C1 | C2 | H10 | 90.0° | 60.1° |
| H8 | C2 | H9 | H10 | 90.0° | 120.1° |
| H11 | C3 | C4 | H13 | 90.0° | 180.0° |
| H11 | C3 | C4 | H14 | 90.0° | 60.0° |
| H12 | C3 | C4 | H13 | 90.0° | 60.0° |
| H12 | C3 | C4 | H14 | 90.0° | 180.0° |
| H13 | C4 | C5 | H15 | 90.0° | 180.0° |
| H13 | C4 | C5 | H16 | 90.0° | 60.0° |
| H14 | C4 | C5 | H15 | 90.0° | 60.0° |
| H14 | C4 | C5 | H16 | 90.0° | 180.0° |
| H15 | C5 | C6 | H17 | 90.0° | 180.0° |
| H15 | C5 | C6 | H18 | 90.0° | 60.1° |
| H15 | C5 | C6 | H19 | 90.0° | 60.0° |
| H16 | C5 | C6 | H17 | 90.0° | 60.0° |
| H16 | C5 | C6 | H18 | 90.0° | 180.0° |
| H16 | C5 | C6 | H19 | 90.0° | 60.0° |
| H17 | C6 | H18 | H19 | 90.0° | 120.0° |
