NK4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C44 | N43 | sing | 1.47Å | 1.48Å | |
| C26 | C25 | sing | 1.53Å | 1.55Å | |
| C26 | C27 | sing | 1.53Å | 1.54Å | |
| C25 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | C24 | sing | 1.53Å | 1.54Å | |
| C23 | C22 | sing | 1.53Å | 1.54Å | |
| N43 | C39 | sing | 1.46Å | 1.49Å | |
| N43 | C45 | sing | 1.33Å | 1.12Å | |
| O46 | C45 | doub | 1.21Å | 1.21Å | |
| C39 | C40 | sing | 1.51Å | 1.54Å | |
| C39 | C21 | sing | 1.53Å | 1.55Å | |
| C28 | C27 | sing | 1.53Å | 1.54Å | |
| C28 | C29 | sing | 1.53Å | 1.54Å | |
| O42 | C40 | doub | 1.21Å | 1.26Å | |
| C45 | C17 | sing | 1.50Å | 1.55Å | |
| C22 | C21 | sing | 1.53Å | 1.55Å | |
| C40 | O41 | sing | 1.34Å | 1.26Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.53Å | 1.54Å | |
| O01 | C02 | sing | 1.43Å | 1.43Å | |
| O04 | C03 | sing | 1.43Å | 1.43Å | |
| C17 | N18 | sing | 1.47Å | 1.48Å | |
| C17 | C06 | sing | 1.53Å | 1.55Å | |
| C05 | C02 | sing | 1.55Å | 1.53Å | |
| C05 | C06 | sing | 1.53Å | 1.53Å | |
| C05 | O47 | sing | 1.44Å | 1.44Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| N18 | C20 | sing | 1.47Å | 1.47Å | |
| N18 | C19 | sing | 1.47Å | 1.47Å | |
| C02 | C03 | sing | 1.54Å | 1.53Å | |
| C06 | O07 | sing | 1.43Å | 1.43Å | |
| O47 | C48 | sing | 1.44Å | 1.44Å | |
| C03 | C48 | sing | 1.55Å | 1.49Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C48 | N49 | sing | 1.47Å | 1.47Å | |
| O52 | C50 | doub | 1.22Å | 1.21Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| O07 | C08 | sing | 1.43Å | 1.44Å | |
| N49 | C50 | sing | 1.35Å | 1.26Å | |
| N49 | C53 | sing | 1.37Å | 1.25Å | |
| C35 | C34 | sing | 1.53Å | 1.55Å | |
| C35 | C36 | sing | 1.53Å | 1.54Å | |
| C50 | N51 | sing | 1.35Å | 1.26Å | |
| C08 | O09 | sing | 1.44Å | 1.44Å | |
| C08 | C13 | sing | 1.55Å | 1.48Å | |
| C53 | C54 | doub | 1.35Å | 1.33Å | |
| O09 | C10 | sing | 1.44Å | 1.44Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C37 | C38 | sing | 1.53Å | 1.54Å | |
| C13 | O14 | sing | 1.43Å | 1.43Å | |
| C13 | C11 | sing | 1.54Å | 1.53Å | |
| N51 | C55 | sing | 1.35Å | 1.25Å | |
| C54 | C55 | sing | 1.42Å | 1.33Å | |
| C10 | C15 | sing | 1.53Å | 1.54Å | |
| C10 | C11 | sing | 1.55Å | 1.54Å | |
| C55 | O56 | doub | 1.22Å | 1.21Å | |
| N16 | C15 | sing | 1.47Å | 1.47Å | |
| C11 | O12 | sing | 1.43Å | 1.42Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | 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 | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | 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 | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H193 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C38 | H383 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C44 | H443 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C53 | H531 | sing | 1.08Å | 1.08Å | |
| C54 | H541 | sing | 1.08Å | 1.08Å | |
| N16 | H161 | sing | 1.01Å | 1.00Å | |
| N16 | H1 | sing | 1.01Å | 1.00Å | |
| N51 | H511 | sing | 0.97Å | 1.00Å | |
| O01 | H011 | sing | 0.97Å | 0.95Å | |
| O04 | H041 | sing | 0.97Å | 0.95Å | |
| O12 | H121 | sing | 0.97Å | 0.95Å | |
| O14 | H141 | sing | 0.97Å | 0.95Å | |
| O41 | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C44 | N43 | C39 | 113.2° | 117.6° |
| C44 | N43 | C45 | 112.5° | 117.6° |
| N43 | C44 | H443 | 109.5° | 109.5° |
| N43 | C44 | H441 | 109.5° | 109.5° |
| N43 | C44 | H442 | 109.5° | 109.5° |
| C25 | C26 | C27 | 110.6° | 109.4° |
| C26 | C25 | C24 | 109.8° | 109.5° |
| C25 | C26 | H261 | 109.2° | 109.5° |
| C25 | C26 | H262 | 109.2° | 109.5° |
| C26 | C25 | H251 | 109.4° | 109.5° |
| C26 | C25 | H252 | 109.4° | 109.5° |
| C26 | C27 | C28 | 111.5° | 109.4° |
| C27 | C26 | H261 | 109.2° | 109.4° |
| C27 | C26 | H262 | 109.2° | 109.5° |
| C26 | C27 | H271 | 109.0° | 109.5° |
| C26 | C27 | H272 | 108.9° | 109.5° |
| C25 | C24 | C23 | 108.4° | 109.5° |
| C25 | C24 | H241 | 109.7° | 109.4° |
| C25 | C24 | H242 | 109.7° | 109.5° |
| C24 | C25 | H251 | 109.4° | 109.4° |
| C24 | C25 | H252 | 109.4° | 109.4° |
| C24 | C23 | C22 | 110.2° | 109.5° |
| C23 | C24 | H241 | 109.8° | 109.5° |
| C23 | C24 | H242 | 109.7° | 109.5° |
| C24 | C23 | H231 | 109.3° | 109.5° |
| C24 | C23 | H232 | 109.3° | 109.5° |
| C23 | C22 | C21 | 109.2° | 109.5° |
| C23 | C22 | H222 | 109.5° | 109.5° |
| C23 | C22 | H221 | 109.5° | 109.5° |
| C22 | C23 | H231 | 109.3° | 109.4° |
| C22 | C23 | H232 | 109.3° | 109.4° |
| C39 | N43 | C45 | 131.6° | 124.9° |
| N43 | C39 | C40 | 108.8° | 109.2° |
| N43 | C39 | C21 | 114.2° | 110.6° |
| N43 | C39 | H391 | 108.7° | 109.2° |
| N43 | C45 | O46 | 116.8° | 118.2° |
| N43 | C45 | C17 | 121.1° | 123.6° |
| O46 | C45 | C17 | 115.4° | 118.2° |
| C40 | C39 | C21 | 109.0° | 109.2° |
| C39 | C40 | O42 | 119.4° | 120.0° |
| C39 | C40 | O41 | 119.7° | 120.0° |
| C40 | C39 | H391 | 108.1° | 109.2° |
| C39 | C21 | C22 | 110.1° | 109.7° |
| C39 | C21 | C20 | 113.3° | 109.0° |
| C39 | C21 | H211 | 108.2° | 109.6° |
| C21 | C39 | H391 | 107.9° | 109.3° |
| C27 | C28 | C29 | 108.5° | 109.4° |
| C27 | C28 | H281 | 109.7° | 109.4° |
| C27 | C28 | H282 | 109.7° | 109.5° |
| C28 | C27 | H271 | 109.0° | 109.4° |
| C28 | C27 | H272 | 109.0° | 109.4° |
| C28 | C29 | C30 | 109.8° | 109.4° |
| C29 | C28 | H281 | 109.7° | 109.5° |
| C29 | C28 | H282 | 109.7° | 109.5° |
| C28 | C29 | H292 | 109.4° | 109.5° |
| C28 | C29 | H291 | 109.4° | 109.5° |
| O42 | C40 | O41 | 120.9° | 120.0° |
| C45 | C17 | N18 | 101.9° | 110.1° |
| C45 | C17 | C06 | 108.5° | 109.3° |
| C45 | C17 | H171 | 108.8° | 109.3° |
| C22 | C21 | C20 | 108.4° | 109.5° |
| C22 | C21 | H211 | 108.3° | 109.5° |
| C21 | C22 | H222 | 109.5° | 109.5° |
| C21 | C22 | H221 | 109.5° | 109.5° |
| C40 | O41 | H3 | 109.5° | 117.0° |
| C21 | C20 | N18 | 107.8° | 109.9° |
| C21 | C20 | H202 | 109.9° | 109.4° |
| C21 | C20 | H201 | 109.9° | 109.4° |
| C20 | C21 | H211 | 108.4° | 109.5° |
| C29 | C30 | C31 | 109.2° | 109.4° |
| C30 | C29 | H292 | 109.4° | 109.4° |
| C30 | C29 | H291 | 109.4° | 109.4° |
| C29 | C30 | H301 | 109.5° | 109.4° |
| C29 | C30 | H302 | 109.6° | 109.5° |
| C30 | C31 | C32 | 108.1° | 109.4° |
| C31 | C30 | H301 | 109.5° | 109.5° |
| C31 | C30 | H302 | 109.5° | 109.5° |
| C30 | C31 | H312 | 109.8° | 109.5° |
| C30 | C31 | H311 | 109.8° | 109.5° |
| O01 | C02 | C05 | 110.5° | 110.6° |
| O01 | C02 | C03 | 111.4° | 110.5° |
| O01 | C02 | H021 | 111.4° | 110.4° |
| C02 | O01 | H011 | 109.5° | 114.1° |
| O04 | C03 | C02 | 110.3° | 110.5° |
| O04 | C03 | C48 | 110.1° | 110.5° |
| O04 | C03 | H031 | 111.0° | 110.6° |
| C03 | O04 | H041 | 109.5° | 114.0° |
| N18 | C17 | C06 | 118.6° | 109.4° |
| C17 | N18 | C20 | 108.3° | 109.8° |
| C17 | N18 | C19 | 115.0° | 111.0° |
| N18 | C17 | H171 | 109.7° | 109.3° |
| C17 | C06 | C05 | 105.5° | 109.5° |
| C17 | C06 | O07 | 113.5° | 109.5° |
| C06 | C17 | H171 | 108.8° | 109.4° |
| C17 | C06 | H061 | 109.7° | 109.5° |
| C02 | C05 | C06 | 111.2° | 110.4° |
| C02 | C05 | O47 | 107.2° | 104.8° |
| C05 | C02 | C03 | 103.4° | 104.1° |
| C05 | C02 | H021 | 109.9° | 110.5° |
| C02 | C05 | H051 | 109.1° | 110.4° |
| C06 | C05 | O47 | 109.7° | 110.4° |
| C05 | C06 | O07 | 106.6° | 109.5° |
| C06 | C05 | H051 | 109.1° | 110.3° |
| C05 | C06 | H061 | 109.9° | 109.5° |
| C05 | O47 | C48 | 108.4° | 105.3° |
| O47 | C05 | H051 | 110.5° | 110.5° |
| C31 | C32 | C33 | 110.3° | 109.5° |
| C32 | C31 | H312 | 109.8° | 109.4° |
| C32 | C31 | H311 | 109.8° | 109.5° |
| C31 | C32 | H321 | 109.3° | 109.4° |
| C31 | C32 | H322 | 109.3° | 109.5° |
| C20 | N18 | C19 | 108.6° | 111.0° |
| N18 | C20 | H202 | 109.9° | 109.4° |
| N18 | C20 | H201 | 109.9° | 109.4° |
| N18 | C19 | H191 | 109.5° | 109.6° |
| N18 | C19 | H192 | 109.5° | 109.5° |
| N18 | C19 | H193 | 109.4° | 109.5° |
| C02 | C03 | C48 | 105.6° | 104.1° |
| C03 | C02 | H021 | 109.9° | 110.5° |
| C02 | C03 | H031 | 109.6° | 110.5° |
| C06 | O07 | C08 | 116.8° | 114.0° |
| O07 | C06 | H061 | 111.4° | 109.5° |
| O47 | C48 | C03 | 109.5° | 104.8° |
| O47 | C48 | N49 | 108.8° | 110.4° |
| O47 | C48 | H481 | 109.9° | 110.5° |
| C03 | C48 | N49 | 109.9° | 110.4° |
| C48 | C03 | H031 | 110.1° | 110.5° |
| C03 | C48 | H481 | 109.2° | 110.4° |
| C32 | C33 | C34 | 113.1° | 109.5° |
| C33 | C32 | H321 | 109.3° | 109.5° |
| C33 | C32 | H322 | 109.3° | 109.4° |
| C32 | C33 | H331 | 108.6° | 109.5° |
| C32 | C33 | H332 | 108.6° | 109.5° |
| C48 | N49 | C50 | 121.6° | 119.7° |
| C48 | N49 | C53 | 117.9° | 119.7° |
| N49 | C48 | H481 | 109.5° | 110.3° |
| O52 | C50 | N49 | 119.6° | 119.5° |
| O52 | C50 | N51 | 118.1° | 119.6° |
| C33 | C34 | C35 | 113.3° | 109.5° |
| C34 | C33 | H331 | 108.6° | 109.5° |
| C34 | C33 | H332 | 108.6° | 109.5° |
| C33 | C34 | H341 | 108.5° | 109.5° |
| C33 | C34 | H342 | 108.5° | 109.4° |
| O07 | C08 | O09 | 110.7° | 110.4° |
| O07 | C08 | C13 | 109.8° | 110.4° |
| O07 | C08 | H081 | 109.7° | 110.4° |
| C50 | N49 | C53 | 120.5° | 120.6° |
| N49 | C50 | N51 | 122.3° | 121.0° |
| N49 | C53 | C54 | 119.5° | 119.7° |
| N49 | C53 | H531 | 120.3° | 120.2° |
| C34 | C35 | C36 | 110.4° | 109.5° |
| C35 | C34 | H341 | 108.5° | 109.5° |
| C35 | C34 | H342 | 108.5° | 109.5° |
| C34 | C35 | H351 | 109.2° | 109.4° |
| C34 | C35 | H352 | 109.2° | 109.5° |
| C35 | C36 | C37 | 109.6° | 109.5° |
| C36 | C35 | H351 | 109.3° | 109.5° |
| C36 | C35 | H352 | 109.2° | 109.5° |
| C35 | C36 | H361 | 109.5° | 109.5° |
| C35 | C36 | H362 | 109.5° | 109.4° |
| C50 | N51 | C55 | 120.8° | 120.2° |
| C50 | N51 | H511 | 119.6° | 119.9° |
| O09 | C08 | C13 | 107.8° | 104.7° |
| C08 | O09 | C10 | 108.1° | 105.3° |
| O09 | C08 | H081 | 109.7° | 110.4° |
| C08 | C13 | O14 | 109.9° | 110.5° |
| C08 | C13 | C11 | 104.8° | 104.1° |
| C08 | C13 | H131 | 110.4° | 110.6° |
| C13 | C08 | H081 | 109.1° | 110.3° |
| C53 | C54 | C55 | 117.8° | 119.1° |
| C54 | C53 | H531 | 120.3° | 120.2° |
| C53 | C54 | H541 | 121.1° | 120.5° |
| O09 | C10 | C15 | 111.1° | 110.4° |
| O09 | C10 | C11 | 108.0° | 104.8° |
| O09 | C10 | H101 | 110.4° | 110.5° |
| C36 | C37 | C38 | 110.3° | 109.5° |
| C37 | C36 | H361 | 109.5° | 109.5° |
| C37 | C36 | H362 | 109.4° | 109.5° |
| C36 | C37 | H371 | 109.2° | 109.4° |
| C36 | C37 | H372 | 109.3° | 109.5° |
| C38 | C37 | H371 | 109.3° | 109.5° |
| C38 | C37 | H372 | 109.3° | 109.5° |
| C37 | C38 | H383 | 109.5° | 109.5° |
| C37 | C38 | H381 | 109.5° | 109.5° |
| C37 | C38 | H382 | 109.5° | 109.5° |
| O14 | C13 | C11 | 110.8° | 110.5° |
| O14 | C13 | H131 | 111.1° | 110.4° |
| C13 | O14 | H141 | 109.5° | 114.0° |
| C13 | C11 | C10 | 103.9° | 104.0° |
| C13 | C11 | O12 | 110.4° | 110.5° |
| C11 | C13 | H131 | 109.6° | 110.5° |
| C13 | C11 | H111 | 110.0° | 110.5° |
| N51 | C55 | C54 | 119.1° | 119.4° |
| N51 | C55 | O56 | 120.6° | 120.3° |
| C55 | N51 | H511 | 119.6° | 119.9° |
| C54 | C55 | O56 | 120.3° | 120.3° |
| C55 | C54 | H541 | 121.1° | 120.4° |
| C15 | C10 | C11 | 109.1° | 110.3° |
| C10 | C15 | N16 | 109.6° | 109.5° |
| C15 | C10 | H101 | 109.0° | 110.3° |
| C10 | C15 | H152 | 109.4° | 109.5° |
| C10 | C15 | H151 | 109.4° | 109.5° |
| C10 | C11 | O12 | 110.7° | 110.5° |
| C11 | C10 | H101 | 109.1° | 110.4° |
| C10 | C11 | H111 | 109.9° | 110.5° |
| N16 | C15 | H152 | 109.4° | 109.4° |
| N16 | C15 | H151 | 109.4° | 109.4° |
| C15 | N16 | H161 | 109.5° | 111.0° |
| C15 | N16 | H1 | 109.4° | 111.1° |
| O12 | C11 | H111 | 111.6° | 110.6° |
| C11 | O12 | H121 | 109.5° | 114.0° |
| H152 | C15 | H151 | 109.5° | 109.5° |
| H202 | C20 | H201 | 109.5° | 109.4° |
| H222 | C22 | H221 | 109.5° | 109.4° |
| H241 | C24 | H242 | 109.4° | 109.4° |
| H261 | C26 | H262 | 109.5° | 109.4° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.4° |
| H191 | C19 | H193 | 109.5° | 109.5° |
| H192 | C19 | H193 | 109.5° | 109.4° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H251 | C25 | H252 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.4° | 109.5° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H312 | C31 | H311 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.4° |
| H341 | C34 | H342 | 109.5° | 109.5° |
| H351 | C35 | H352 | 109.5° | 109.4° |
| H361 | C36 | H362 | 109.4° | 109.5° |
| H371 | C37 | H372 | 109.5° | 109.4° |
| H383 | C38 | H381 | 109.4° | 109.4° |
| H383 | C38 | H382 | 109.5° | 109.4° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H443 | C44 | H441 | 109.5° | 109.4° |
| H443 | C44 | H442 | 109.5° | 109.5° |
| H441 | C44 | H442 | 109.4° | 109.5° |
| H161 | N16 | H1 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C44 | N43 | C39 | C45 | 159.3° | 179.9° |
| C44 | N43 | C45 | O46 | 61.8° | 5.7° |
| C44 | N43 | C39 | C40 | 86.2° | 29.2° |
| C44 | N43 | C39 | C21 | 151.8° | 149.5° |
| C44 | N43 | C45 | C17 | 148.3° | 174.2° |
| C44 | N43 | C39 | H391 | 31.3° | 90.2° |
| N43 | C44 | H443 | H441 | 120.0° | 120.0° |
| N43 | C44 | H443 | H442 | 120.0° | 120.0° |
| N43 | C44 | H441 | H442 | 120.0° | 120.1° |
| C25 | C26 | C27 | H261 | 120.2° | 120.0° |
| C25 | C26 | C27 | H262 | 120.2° | 120.0° |
| C26 | C25 | C24 | H251 | 120.1° | 120.0° |
| C26 | C25 | C24 | H252 | 120.0° | 120.0° |
| C26 | C25 | C24 | C23 | 174.5° | 180.0° |
| C25 | C26 | C27 | C28 | 144.2° | 180.0° |
| C26 | C25 | C24 | H241 | 65.6° | 60.0° |
| C26 | C25 | C24 | H242 | 54.7° | 60.0° |
| C25 | C26 | H261 | H262 | 119.5° | 120.1° |
| C26 | C25 | H251 | H252 | 119.8° | 120.1° |
| C25 | C26 | C27 | H271 | 95.5° | 60.0° |
| C25 | C26 | C27 | H272 | 23.9° | 60.0° |
| C27 | C26 | C25 | C24 | 104.1° | 180.0° |
| C26 | C27 | C28 | H271 | 120.3° | 120.0° |
| C26 | C27 | C28 | H272 | 120.3° | 120.0° |
| C26 | C27 | C28 | C29 | 159.4° | NaN° |
| C27 | C26 | H261 | H262 | 119.5° | 120.0° |
| C26 | C27 | C28 | H281 | 80.8° | 60.0° |
| C26 | C27 | C28 | H282 | 39.5° | 60.0° |
| C27 | C26 | C25 | H251 | 135.8° | 60.0° |
| C27 | C26 | C25 | H252 | 16.0° | 60.0° |
| C26 | C27 | H271 | H272 | 119.0° | 120.1° |
| C25 | C24 | C23 | H241 | 119.8° | 120.0° |
| C25 | C24 | C23 | H242 | 119.8° | 120.0° |
| C25 | C24 | C23 | C22 | 163.4° | 180.0° |
| C25 | C24 | H241 | H242 | 120.5° | 120.0° |
| C24 | C25 | C26 | H261 | 135.7° | 60.0° |
| C24 | C25 | C26 | H262 | 16.1° | 60.0° |
| C25 | C24 | C23 | H231 | 76.5° | 60.0° |
| C25 | C24 | C23 | H232 | 43.3° | 60.0° |
| C24 | C25 | H251 | H252 | 119.8° | 120.0° |
| C24 | C23 | C22 | H231 | 120.1° | 120.0° |
| C24 | C23 | C22 | H232 | 120.1° | 120.0° |
| C24 | C23 | C22 | C21 | 145.9° | 180.0° |
| C24 | C23 | C22 | H222 | 26.0° | 59.9° |
| C24 | C23 | C22 | H221 | 94.1° | 60.0° |
| C23 | C24 | H241 | H242 | 120.5° | 120.1° |
| C24 | C23 | H231 | H232 | 119.7° | 120.1° |
| C23 | C24 | C25 | H251 | 54.5° | 60.0° |
| C23 | C24 | C25 | H252 | 65.4° | 60.0° |
| C23 | C22 | C21 | C39 | 92.7° | 175.5° |
| C23 | C22 | C21 | H222 | 120.0° | 120.0° |
| C23 | C22 | C21 | H221 | 120.0° | 120.0° |
| C23 | C22 | C21 | C20 | 142.9° | 65.0° |
| C23 | C22 | C21 | H211 | 25.4° | 55.2° |
| C23 | C22 | H222 | H221 | 120.1° | 119.9° |
| C22 | C23 | C24 | H241 | 43.5° | 60.0° |
| C22 | C23 | C24 | H242 | 76.8° | 60.0° |
| C22 | C23 | H231 | H232 | 119.7° | 119.9° |
| C39 | N43 | C45 | O46 | 138.8° | 174.3° |
| N43 | C39 | C40 | C21 | 125.1° | 121.1° |
| N43 | C39 | C40 | H391 | 117.9° | 119.4° |
| N43 | C39 | C21 | H391 | 121.0° | 120.3° |
| N43 | C39 | C40 | O42 | 27.7° | 21.2° |
| C39 | N43 | C45 | C17 | 11.2° | 5.8° |
| N43 | C39 | C21 | C22 | 56.4° | 151.0° |
| N43 | C39 | C40 | O41 | 151.4° | 158.9° |
| N43 | C39 | C21 | C20 | 65.2° | 89.1° |
| N43 | C39 | C21 | H211 | 174.5° | 30.7° |
| C39 | N43 | C44 | H443 | 180.0° | 90.1° |
| C39 | N43 | C44 | H441 | 60.0° | 150.0° |
| C39 | N43 | C44 | H442 | 60.0° | 30.0° |
| N43 | C45 | O46 | C17 | 151.7° | 179.9° |
| C45 | N43 | C39 | C40 | 73.1° | 150.9° |
| C45 | N43 | C39 | C21 | 48.8° | 30.6° |
| N43 | C45 | C17 | N18 | 73.1° | 52.0° |
| N43 | C45 | C17 | C06 | 161.0° | 172.1° |
| N43 | C45 | C17 | H171 | 42.7° | 68.2° |
| C45 | N43 | C39 | H391 | 169.4° | 89.7° |
| C45 | N43 | C44 | H443 | 16.6° | 90.0° |
| C45 | N43 | C44 | H441 | 136.6° | 29.9° |
| C45 | N43 | C44 | H442 | 103.4° | 150.0° |
| O46 | C45 | C17 | N18 | 77.3° | 128.1° |
| O46 | C45 | C17 | C06 | 48.7° | 8.0° |
| O46 | C45 | C17 | H171 | 166.9° | 111.7° |
| C40 | C39 | C21 | H391 | 117.1° | 119.5° |
| C39 | C40 | O42 | O41 | 179.1° | 180.0° |
| C40 | C39 | C21 | C22 | 178.2° | 30.7° |
| C40 | C39 | C21 | C20 | 56.7° | 150.6° |
| C40 | C39 | C21 | H211 | 63.6° | 89.6° |
| C39 | C40 | O41 | H3 | 179.1° | 180.0° |
| C21 | C39 | C40 | O42 | 152.8° | 100.0° |
| C39 | C21 | C22 | C20 | 124.4° | 119.6° |
| C39 | C21 | C22 | H211 | 118.1° | 120.3° |
| C21 | C39 | C40 | O41 | 26.3° | 80.0° |
| C39 | C21 | C20 | H211 | 120.1° | 119.8° |
| C39 | C21 | C20 | N18 | 66.5° | 60.6° |
| C39 | C21 | C20 | H202 | 53.2° | 179.2° |
| C39 | C21 | C20 | H201 | 173.7° | 59.4° |
| C39 | C21 | C22 | H222 | 147.3° | 55.4° |
| C39 | C21 | C22 | H221 | 27.3° | 64.5° |
| C27 | C28 | C29 | H281 | 119.9° | 120.0° |
| C27 | C28 | C29 | H282 | 119.9° | 120.0° |
| C27 | C28 | C29 | C30 | 135.0° | NaN° |
| C28 | C27 | C26 | H261 | 24.0° | 60.0° |
| C28 | C27 | C26 | H262 | 95.6° | 60.0° |
| C27 | C28 | H281 | H282 | 120.4° | 120.0° |
| C28 | C27 | H271 | H272 | 119.1° | 120.0° |
| C27 | C28 | C29 | H292 | 105.0° | 60.0° |
| C27 | C28 | C29 | H291 | 15.0° | 60.0° |
| C28 | C29 | C30 | H292 | 120.1° | 120.0° |
| C28 | C29 | C30 | H291 | 120.0° | 120.0° |
| C28 | C29 | C30 | C31 | 152.2° | NaN° |
| C29 | C28 | H281 | H282 | 120.4° | 120.0° |
| C29 | C28 | C27 | H271 | 39.0° | 60.0° |
| C29 | C28 | C27 | H272 | 80.3° | 60.0° |
| C28 | C29 | H292 | H291 | 119.9° | 120.1° |
| C28 | C29 | C30 | H301 | 87.8° | 60.0° |
| C28 | C29 | C30 | H302 | 32.3° | 60.0° |
| O42 | C40 | C39 | H391 | 90.1° | 140.6° |
| O42 | C40 | O41 | H3 | 0.0° | 0.0° |
| C45 | C17 | N18 | C06 | 119.0° | 120.2° |
| C45 | C17 | N18 | H171 | 115.2° | 120.1° |
| C45 | C17 | C06 | H171 | 118.3° | 119.6° |
| C45 | C17 | C06 | C05 | 68.0° | 69.9° |
| C45 | C17 | N18 | C20 | 96.2° | 92.3° |
| C45 | C17 | N18 | C19 | 142.1° | 144.6° |
| C45 | C17 | C06 | O07 | 175.6° | 170.1° |
| C45 | C17 | C06 | H061 | 50.3° | 50.1° |
| C22 | C21 | C20 | H211 | 117.4° | 120.2° |
| C22 | C21 | C20 | N18 | 56.0° | 179.4° |
| C22 | C21 | C20 | H202 | 175.7° | 59.2° |
| C22 | C21 | C20 | H201 | 63.8° | 60.6° |
| C21 | C22 | H222 | H221 | 120.1° | 120.0° |
| C21 | C22 | C23 | H231 | 94.0° | 60.0° |
| C21 | C22 | C23 | H232 | 25.8° | 60.0° |
| C22 | C21 | C39 | H391 | 64.6° | 88.8° |
| O41 | C40 | C39 | H391 | 90.7° | 39.5° |
| C21 | C20 | N18 | C17 | 84.0° | 33.0° |
| C21 | C20 | N18 | H202 | 119.7° | 120.2° |
| C21 | C20 | N18 | H201 | 119.7° | 120.0° |
| C21 | C20 | N18 | C19 | 150.5° | 156.1° |
| C21 | C20 | H202 | H201 | 120.7° | 119.8° |
| C20 | C21 | C22 | H222 | 22.9° | 175.0° |
| C20 | C21 | C22 | H221 | 97.2° | 55.1° |
| C20 | C21 | C39 | H391 | 173.8° | 31.1° |
| C29 | C30 | C31 | H301 | 120.0° | 120.0° |
| C29 | C30 | C31 | H302 | 120.0° | 120.0° |
| C29 | C30 | C31 | C32 | 148.1° | NaN° |
| C30 | C29 | C28 | H281 | 15.1° | 60.0° |
| C30 | C29 | C28 | H282 | 105.2° | 60.0° |
| C30 | C29 | H292 | H291 | 119.8° | 120.0° |
| C29 | C30 | H301 | H302 | 120.1° | 120.0° |
| C29 | C30 | C31 | H312 | 92.1° | 60.0° |
| C29 | C30 | C31 | H311 | 28.3° | 60.0° |
| C30 | C31 | C32 | H312 | 119.8° | 120.0° |
| C30 | C31 | C32 | H311 | 119.8° | 120.0° |
| C30 | C31 | C32 | C33 | 173.0° | 180.0° |
| C31 | C30 | C29 | H292 | 32.1° | 60.0° |
| C31 | C30 | C29 | H291 | 87.8° | 60.0° |
| C31 | C30 | H301 | H302 | 120.1° | 120.0° |
| C30 | C31 | H312 | H311 | 120.7° | 120.0° |
| C30 | C31 | C32 | H321 | 52.8° | 60.0° |
| C30 | C31 | C32 | H322 | 66.9° | 60.0° |
| O01 | C02 | C03 | O04 | 18.8° | 0.1° |
| O01 | C02 | C05 | C03 | 119.3° | 118.7° |
| O01 | C02 | C05 | H021 | 123.4° | 122.6° |
| O01 | C02 | C05 | C06 | 96.0° | 98.5° |
| O01 | C02 | C05 | O47 | 144.0° | 142.7° |
| O01 | C02 | C03 | H021 | 124.0° | 122.6° |
| O01 | C02 | C03 | C48 | 137.7° | 118.8° |
| O01 | C02 | C03 | H031 | 103.7° | 122.6° |
| O01 | C02 | C05 | H051 | 24.4° | 23.7° |
| O04 | C03 | C02 | C05 | 99.9° | 118.6° |
| O04 | C03 | C02 | C48 | 118.9° | 118.6° |
| O04 | C03 | C02 | H031 | 122.5° | 122.7° |
| O04 | C03 | C48 | O47 | 111.8° | 142.7° |
| O04 | C03 | C48 | H031 | 122.8° | 122.7° |
| O04 | C03 | C48 | N49 | 128.7° | 98.5° |
| O04 | C03 | C02 | H021 | 142.8° | 122.7° |
| O04 | C03 | C48 | H481 | 8.6° | 23.7° |
| N18 | C17 | C06 | H171 | 126.2° | 119.7° |
| N18 | C17 | C06 | C05 | 176.5° | 169.4° |
| C17 | N18 | C20 | C19 | 125.5° | 123.1° |
| N18 | C17 | C06 | O07 | 60.1° | 49.5° |
| C17 | N18 | C20 | H202 | 35.8° | 87.1° |
| C17 | N18 | C20 | H201 | 156.3° | 153.0° |
| N18 | C17 | C06 | H061 | 65.3° | 70.5° |
| C17 | N18 | C19 | H191 | 180.0° | 60.0° |
| C17 | N18 | C19 | H192 | 60.0° | 180.0° |
| C17 | N18 | C19 | H193 | 60.0° | 60.0° |
| C17 | C06 | C05 | C02 | 177.9° | 66.7° |
| C17 | C06 | C05 | O07 | 121.0° | 120.0° |
| C17 | C06 | C05 | H061 | 118.1° | 120.0° |
| C17 | C06 | C05 | O47 | 63.7° | 48.6° |
| C06 | C17 | N18 | C20 | 144.8° | 147.5° |
| C06 | C17 | N18 | C19 | 23.1° | 24.4° |
| C17 | C06 | O07 | H061 | 124.4° | 120.0° |
| C17 | C06 | O07 | C08 | 135.0° | 159.4° |
| C17 | C06 | C05 | H051 | 57.5° | 171.0° |
| C02 | C05 | C06 | O47 | 118.4° | 115.4° |
| C02 | C05 | C06 | H051 | 120.4° | 122.2° |
| C02 | C05 | O47 | H051 | 118.8° | 118.9° |
| C05 | C02 | C03 | H021 | 117.3° | 118.7° |
| C02 | C05 | C06 | O07 | 61.1° | 53.2° |
| C02 | C05 | O47 | C48 | 21.1° | 40.6° |
| C05 | C02 | C03 | C48 | 19.0° | 0.0° |
| C05 | C02 | C03 | H031 | 137.6° | 118.6° |
| C02 | C05 | C06 | H061 | 59.7° | 173.3° |
| C05 | C02 | O01 | H011 | 180.0° | 176.1° |
| C06 | C05 | O47 | H051 | 120.3° | 122.3° |
| C06 | C05 | C02 | C03 | 144.7° | 142.8° |
| C05 | C06 | O07 | H061 | 119.8° | 120.0° |
| C06 | C05 | O47 | C48 | 142.0° | 159.4° |
| C05 | C06 | O07 | C08 | 109.3° | 80.6° |
| C05 | C06 | C17 | H171 | 50.3° | 49.7° |
| C06 | C05 | C02 | H021 | 27.4° | 24.2° |
| O47 | C05 | C02 | C03 | 24.7° | 24.0° |
| O47 | C05 | C06 | O07 | 57.4° | 168.6° |
| C05 | O47 | C48 | C03 | 8.7° | 40.6° |
| C05 | O47 | C48 | N49 | 128.8° | 159.4° |
| O47 | C05 | C02 | H021 | 92.6° | 94.7° |
| O47 | C05 | C06 | H061 | 178.2° | 71.4° |
| C05 | O47 | C48 | H481 | 111.3° | 78.3° |
| C31 | C32 | C33 | H321 | 120.1° | 120.0° |
| C31 | C32 | C33 | H322 | 120.1° | 120.0° |
| C31 | C32 | C33 | C34 | 178.5° | 180.0° |
| C32 | C31 | C30 | H301 | 28.1° | 60.0° |
| C32 | C31 | C30 | H302 | 91.9° | 60.0° |
| C32 | C31 | H312 | H311 | 120.6° | 120.0° |
| C31 | C32 | H321 | H322 | 119.6° | 120.0° |
| C31 | C32 | C33 | H331 | 60.9° | 60.0° |
| C31 | C32 | C33 | H332 | 58.0° | 60.0° |
| C20 | N18 | C17 | H171 | 19.0° | 27.8° |
| N18 | C20 | H202 | H201 | 120.8° | 119.8° |
| N18 | C20 | C21 | H211 | 173.3° | 59.2° |
| C20 | N18 | C19 | H191 | 58.5° | 62.4° |
| C20 | N18 | C19 | H192 | 178.6° | 57.6° |
| C20 | N18 | C19 | H193 | 61.4° | 177.5° |
| C19 | N18 | C17 | H171 | 102.7° | 95.3° |
| C19 | N18 | C20 | H202 | 89.7° | 36.0° |
| C19 | N18 | C20 | H201 | 30.8° | 83.8° |
| N18 | C19 | H191 | H192 | 120.0° | 120.1° |
| N18 | C19 | H191 | H193 | 120.0° | 120.0° |
| N18 | C19 | H192 | H193 | 120.0° | 120.0° |
| C02 | C03 | C48 | O47 | 7.2° | 24.0° |
| C02 | C03 | C48 | H031 | 118.2° | 118.7° |
| C02 | C03 | C48 | N49 | 112.3° | 142.8° |
| C03 | C02 | C05 | H051 | 95.0° | 95.0° |
| C02 | C03 | C48 | H481 | 127.6° | 94.9° |
| C03 | C02 | O01 | H011 | 65.6° | 61.4° |
| C02 | C03 | O04 | H041 | 180.0° | 180.0° |
| C06 | O07 | C08 | O09 | 108.0° | 70.5° |
| C06 | O07 | C08 | C13 | 133.1° | 174.2° |
| O07 | C06 | C17 | H171 | 66.1° | 70.3° |
| O07 | C06 | C05 | H051 | 178.5° | 69.0° |
| C06 | O07 | C08 | H081 | 13.2° | 51.9° |
| O47 | C48 | C03 | N49 | 119.5° | 118.8° |
| O47 | C48 | C03 | H481 | 120.4° | 118.9° |
| O47 | C48 | N49 | H481 | 120.2° | 122.4° |
| O47 | C48 | N49 | C50 | 143.0° | 129.7° |
| O47 | C48 | N49 | C53 | 36.9° | 50.3° |
| O47 | C48 | C03 | H031 | 125.4° | 94.7° |
| C48 | O47 | C05 | H051 | 97.7° | 78.3° |
| C03 | C48 | N49 | H481 | 120.0° | 122.3° |
| C03 | C48 | N49 | C50 | 97.1° | 115.0° |
| C03 | C48 | N49 | C53 | 83.0° | 65.0° |
| C48 | C03 | C02 | H021 | 98.3° | 118.7° |
| C48 | C03 | O04 | H041 | 63.9° | 65.4° |
| C32 | C33 | C34 | H331 | 120.6° | 120.1° |
| C32 | C33 | C34 | H332 | 120.5° | 120.0° |
| C32 | C33 | C34 | C35 | 11.4° | 180.0° |
| C33 | C32 | C31 | H312 | 67.3° | 60.0° |
| C33 | C32 | C31 | H311 | 53.2° | 60.0° |
| C33 | C32 | H321 | H322 | 119.6° | 120.0° |
| C32 | C33 | H331 | H332 | 118.3° | 120.0° |
| C32 | C33 | C34 | H341 | 109.2° | 59.9° |
| C32 | C33 | C34 | H342 | 131.9° | 60.0° |
| C48 | N49 | C50 | O52 | 0.1° | 0.3° |
| C48 | N49 | C50 | C53 | 179.9° | 180.0° |
| C48 | N49 | C50 | N51 | 180.0° | 180.0° |
| C48 | N49 | C53 | C54 | 179.9° | 180.0° |
| N49 | C48 | C03 | H031 | 5.9° | 24.1° |
| C48 | N49 | C53 | H531 | 0.1° | 0.1° |
| O52 | C50 | N49 | N51 | 179.9° | 179.8° |
| O52 | C50 | N49 | C53 | 179.9° | 179.7° |
| O52 | C50 | N51 | C55 | 179.9° | 179.7° |
| O52 | C50 | N51 | H511 | 0.1° | 0.3° |
| C33 | C34 | C35 | H341 | 120.6° | 120.0° |
| C33 | C34 | C35 | H342 | 120.6° | 119.9° |
| C33 | C34 | C35 | C36 | 167.1° | NaN° |
| C34 | C33 | C32 | H321 | 58.4° | 60.0° |
| C34 | C33 | C32 | H322 | 61.3° | 60.0° |
| C34 | C33 | H331 | H332 | 118.4° | 120.0° |
| C33 | C34 | H341 | H342 | 118.3° | 119.9° |
| C33 | C34 | C35 | H351 | 46.9° | 60.0° |
| C33 | C34 | C35 | H352 | 72.8° | 60.0° |
| O07 | C08 | O09 | C13 | 120.1° | 118.8° |
| O07 | C08 | O09 | H081 | 121.2° | 122.4° |
| O07 | C08 | C13 | H081 | 120.3° | 122.3° |
| O07 | C08 | O09 | C10 | 94.5° | 159.4° |
| O07 | C08 | C13 | O14 | 147.9° | 98.5° |
| O07 | C08 | C13 | C11 | 93.0° | 142.8° |
| O07 | C08 | C13 | H131 | 25.0° | 24.1° |
| C08 | O07 | C06 | H061 | 10.6° | 39.4° |
| C50 | N49 | C53 | C54 | 0.2° | 0.0° |
| N49 | C50 | N51 | C55 | 0.0° | 0.0° |
| C50 | N49 | C48 | H481 | 22.8° | 7.3° |
| C50 | N49 | C53 | H531 | 179.8° | 179.9° |
| N49 | C50 | N51 | H511 | 180.0° | 180.0° |
| C53 | N49 | C50 | N51 | 0.2° | 0.0° |
| N49 | C53 | C54 | H531 | 180.0° | 179.9° |
| N49 | C53 | C54 | C55 | 0.1° | 0.1° |
| C53 | N49 | C48 | H481 | 157.0° | 172.7° |
| N49 | C53 | C54 | H541 | 179.9° | 179.9° |
| C34 | C35 | C36 | H351 | 120.2° | 120.0° |
| C34 | C35 | C36 | H352 | 120.1° | 120.0° |
| C34 | C35 | C36 | C37 | 160.0° | 180.0° |
| C35 | C34 | C33 | H331 | 131.9° | 59.9° |
| C35 | C34 | C33 | H332 | 109.2° | 60.0° |
| C35 | C34 | H341 | H342 | 118.3° | 120.0° |
| C34 | C35 | H351 | H352 | 119.5° | 120.0° |
| C34 | C35 | C36 | H361 | 80.0° | 59.9° |
| C34 | C35 | C36 | H362 | 40.0° | 60.0° |
| C35 | C36 | C37 | H361 | 120.0° | 120.0° |
| C35 | C36 | C37 | H362 | 120.0° | 119.9° |
| C35 | C36 | C37 | C38 | 137.3° | 179.9° |
| C36 | C35 | C34 | H341 | 72.4° | 60.0° |
| C36 | C35 | C34 | H342 | 46.5° | 60.1° |
| C36 | C35 | H351 | H352 | 119.6° | 120.0° |
| C35 | C36 | H361 | H362 | 120.0° | 119.9° |
| C35 | C36 | C37 | H371 | 17.1° | 60.0° |
| C35 | C36 | C37 | H372 | 102.6° | 60.0° |
| C50 | N51 | C55 | H511 | 180.0° | 180.0° |
| C50 | N51 | C55 | C54 | 0.1° | 0.0° |
| C50 | N51 | C55 | O56 | 180.0° | 180.0° |
| O09 | C08 | C13 | H081 | 119.0° | 118.8° |
| O09 | C08 | C13 | O14 | 91.4° | 142.7° |
| O09 | C08 | C13 | C11 | 27.7° | 24.0° |
| C08 | O09 | C10 | C15 | 107.0° | 159.3° |
| C08 | O09 | C10 | C11 | 12.7° | 40.6° |
| C08 | O09 | C10 | H101 | 131.9° | 78.3° |
| O09 | C08 | C13 | H131 | 145.7° | 94.8° |
| C13 | C08 | O09 | C10 | 25.6° | 40.5° |
| C08 | C13 | O14 | C11 | 115.4° | 114.7° |
| C08 | C13 | O14 | H131 | 122.5° | 122.7° |
| C08 | C13 | C11 | H131 | 118.5° | 118.8° |
| C08 | C13 | C11 | C10 | 19.0° | 0.0° |
| C08 | C13 | C11 | O12 | 137.8° | 118.6° |
| C08 | C13 | C11 | H111 | 98.6° | 118.6° |
| C08 | C13 | O14 | H141 | 180.0° | 65.3° |
| C53 | C54 | C55 | N51 | 0.0° | 0.1° |
| C53 | C54 | C55 | H541 | 180.0° | 179.9° |
| C53 | C54 | C55 | O56 | 179.9° | 179.9° |
| O09 | C10 | C11 | C13 | 4.3° | 24.0° |
| O09 | C10 | C15 | C11 | 119.0° | 115.4° |
| O09 | C10 | C15 | H101 | 121.9° | 122.4° |
| O09 | C10 | C11 | H101 | 120.0° | 119.0° |
| O09 | C10 | C15 | N16 | 68.8° | 69.6° |
| O09 | C10 | C11 | O12 | 122.9° | 142.6° |
| O09 | C10 | C15 | H152 | 171.2° | 170.4° |
| O09 | C10 | C15 | H151 | 51.2° | 50.3° |
| C10 | O09 | C08 | H081 | 144.3° | 78.3° |
| O09 | C10 | C11 | H111 | 113.4° | 94.6° |
| C36 | C37 | C38 | H371 | 120.1° | 120.0° |
| C36 | C37 | C38 | H372 | 120.1° | 120.0° |
| C37 | C36 | C35 | H351 | 39.9° | 60.0° |
| C37 | C36 | C35 | H352 | 79.9° | 60.0° |
| C37 | C36 | H361 | H362 | 119.9° | 120.0° |
| C36 | C37 | H371 | H372 | 119.6° | 120.0° |
| C36 | C37 | C38 | H383 | 180.0° | 60.0° |
| C36 | C37 | C38 | H381 | 60.0° | 60.0° |
| C36 | C37 | C38 | H382 | 60.0° | 180.0° |
| C38 | C37 | C36 | H361 | 102.7° | 60.0° |
| C38 | C37 | C36 | H362 | 17.2° | 60.0° |
| C38 | C37 | H371 | H372 | 119.6° | 120.1° |
| C37 | C38 | H383 | H381 | 120.0° | 120.1° |
| C37 | C38 | H383 | H382 | 120.0° | 120.0° |
| C37 | C38 | H381 | H382 | 120.0° | 120.1° |
| O14 | C13 | C11 | H131 | 123.0° | 122.5° |
| O14 | C13 | C11 | C10 | 99.5° | 118.7° |
| O14 | C13 | C11 | O12 | 19.3° | 0.0° |
| O14 | C13 | C08 | H081 | 27.6° | 23.8° |
| O14 | C13 | C11 | H111 | 142.9° | 122.7° |
| C13 | C11 | C10 | C15 | 125.2° | 142.8° |
| C13 | C11 | C10 | O12 | 118.6° | 118.7° |
| C13 | C11 | C10 | H111 | 117.7° | 118.6° |
| C13 | C11 | O12 | H111 | 122.7° | 122.7° |
| C13 | C11 | C10 | H101 | 115.7° | 95.0° |
| C11 | C13 | C08 | H081 | 146.8° | 94.8° |
| C13 | C11 | O12 | H121 | 180.0° | 65.4° |
| C11 | C13 | O14 | H141 | 64.6° | 180.0° |
| N51 | C55 | C54 | O56 | 179.9° | 180.0° |
| N51 | C55 | C54 | H541 | 180.0° | 179.9° |
| C55 | C54 | C53 | H531 | 179.9° | 180.0° |
| C54 | C55 | N51 | H511 | 179.9° | 180.0° |
| C15 | C10 | C11 | H101 | 119.0° | 122.2° |
| C10 | C15 | N16 | H152 | 120.0° | 120.0° |
| C10 | C15 | N16 | H151 | 120.0° | 120.0° |
| C15 | C10 | C11 | O12 | 116.2° | 98.5° |
| C10 | C15 | H152 | H151 | 119.9° | 120.1° |
| C15 | C10 | C11 | H111 | 7.5° | 24.2° |
| C10 | C15 | N16 | H161 | 180.0° | 180.0° |
| C10 | C15 | N16 | H1 | 60.0° | 56.1° |
| C11 | C10 | C15 | N16 | 172.2° | 175.0° |
| C10 | C11 | O12 | H111 | 122.8° | 122.7° |
| C10 | C11 | C13 | H131 | 137.5° | 118.8° |
| C11 | C10 | C15 | H152 | 52.2° | 55.0° |
| C11 | C10 | C15 | H151 | 67.7° | 65.1° |
| C10 | C11 | O12 | H121 | 65.4° | 180.0° |
| O56 | C55 | C54 | H541 | 0.1° | 0.1° |
| O56 | C55 | N51 | H511 | 0.0° | 0.0° |
| N16 | C15 | C10 | H101 | 53.1° | 52.8° |
| N16 | C15 | H152 | H151 | 119.9° | 119.9° |
| C15 | N16 | H161 | H1 | 120.0° | 124.0° |
| O12 | C11 | C10 | H101 | 2.9° | 23.7° |
| O12 | C11 | C13 | H131 | 103.7° | 122.6° |
| H101 | C10 | C15 | H152 | 66.9° | 67.2° |
| H101 | C10 | C15 | H151 | 173.2° | 172.7° |
| H101 | C10 | C11 | H111 | 126.6° | 146.4° |
| H131 | C13 | C08 | H081 | 95.3° | 146.4° |
| H131 | C13 | C11 | H111 | 19.9° | 0.2° |
| H131 | C13 | O14 | H141 | 57.6° | 57.4° |
| H152 | C15 | N16 | H161 | 60.0° | 60.0° |
| H152 | C15 | N16 | H1 | 180.0° | 176.1° |
| H151 | C15 | N16 | H161 | 60.0° | 60.0° |
| H151 | C15 | N16 | H1 | 60.0° | 63.9° |
| H171 | C17 | C06 | H061 | 168.5° | 169.7° |
| H202 | C20 | C21 | H211 | 66.9° | 60.9° |
| H201 | C20 | C21 | H211 | 53.6° | 179.2° |
| H211 | C21 | C22 | H222 | 94.5° | 64.9° |
| H211 | C21 | C22 | H221 | 145.4° | 175.2° |
| H211 | C21 | C39 | H391 | 53.6° | 150.9° |
| H222 | C22 | C23 | H231 | 146.1° | 180.0° |
| H222 | C22 | C23 | H232 | 94.1° | 60.1° |
| H221 | C22 | C23 | H231 | 26.0° | 60.1° |
| H221 | C22 | C23 | H232 | 145.8° | 180.0° |
| H241 | C24 | C23 | H231 | 163.6° | 180.0° |
| H241 | C24 | C23 | H232 | 76.6° | 59.9° |
| H241 | C24 | C25 | H251 | 174.3° | 180.0° |
| H241 | C24 | C25 | H252 | 54.4° | 60.0° |
| H242 | C24 | C23 | H231 | 43.3° | 60.0° |
| H242 | C24 | C23 | H232 | 163.1° | 180.0° |
| H242 | C24 | C25 | H251 | 65.4° | 60.1° |
| H242 | C24 | C25 | H252 | 174.7° | 180.0° |
| H261 | C26 | C25 | H251 | 15.7° | 180.0° |
| H261 | C26 | C25 | H252 | 104.2° | 59.9° |
| H261 | C26 | C27 | H271 | 144.3° | 180.0° |
| H261 | C26 | C27 | H272 | 96.3° | 60.0° |
| H262 | C26 | C25 | H251 | 104.0° | 60.0° |
| H262 | C26 | C25 | H252 | 136.1° | 180.0° |
| H262 | C26 | C27 | H271 | 24.7° | 60.0° |
| H262 | C26 | C27 | H272 | 144.0° | 179.9° |
| H281 | C28 | C27 | H271 | 158.9° | NaN° |
| H281 | C28 | C27 | H272 | 39.6° | 60.0° |
| H281 | C28 | C29 | H292 | 135.2° | 180.0° |
| H281 | C28 | C29 | H291 | 104.9° | 59.9° |
| H282 | C28 | C27 | H271 | 80.8° | 60.0° |
| H282 | C28 | C27 | H272 | 159.9° | 180.0° |
| H282 | C28 | C29 | H292 | 14.9° | 60.0° |
| H282 | C28 | C29 | H291 | 134.8° | 179.9° |
| H021 | C02 | C03 | H031 | 20.3° | 0.0° |
| H021 | C02 | C05 | H051 | 147.8° | 146.4° |
| H021 | C02 | O01 | H011 | 57.5° | 61.2° |
| H031 | C03 | C48 | H481 | 114.2° | 146.4° |
| H031 | C03 | O04 | H041 | 58.4° | 57.3° |
| H051 | C05 | C06 | H061 | 60.7° | 51.0° |
| H111 | C11 | O12 | H121 | 57.3° | 57.3° |
| H191 | C19 | H192 | H193 | 120.0° | 119.9° |
| H292 | C29 | C30 | H301 | 152.1° | 180.0° |
| H292 | C29 | C30 | H302 | 87.8° | 60.0° |
| H291 | C29 | C30 | H301 | 32.2° | 60.0° |
| H291 | C29 | C30 | H302 | 152.3° | 180.0° |
| H301 | C30 | C31 | H312 | 147.9° | 180.0° |
| H301 | C30 | C31 | H311 | 91.6° | 60.0° |
| H302 | C30 | C31 | H312 | 27.8° | 60.0° |
| H302 | C30 | C31 | H311 | 148.3° | NaN° |
| H312 | C31 | C32 | H321 | 172.6° | 180.0° |
| H312 | C31 | C32 | H322 | 52.9° | 60.0° |
| H311 | C31 | C32 | H321 | 66.9° | 60.0° |
| H311 | C31 | C32 | H322 | 173.3° | 180.0° |
| H321 | C32 | C33 | H331 | 179.0° | 180.0° |
| H321 | C32 | C33 | H332 | 62.1° | 60.0° |
| H322 | C32 | C33 | H331 | 59.2° | 60.0° |
| H322 | C32 | C33 | H332 | 178.1° | 180.0° |
| H331 | C33 | C34 | H341 | 11.4° | 180.0° |
| H331 | C33 | C34 | H342 | 107.5° | 60.0° |
| H332 | C33 | C34 | H341 | 130.3° | 60.1° |
| H332 | C33 | C34 | H342 | 11.4° | 180.0° |
| H341 | C34 | C35 | H351 | 167.5° | 180.0° |
| H341 | C34 | C35 | H352 | 47.8° | 60.1° |
| H342 | C34 | C35 | H351 | 73.7° | 60.0° |
| H342 | C34 | C35 | H352 | 166.6° | 179.9° |
| H351 | C35 | C36 | H361 | 159.9° | 179.9° |
| H351 | C35 | C36 | H362 | 80.2° | 60.0° |
| H352 | C35 | C36 | H361 | 40.2° | 60.1° |
| H352 | C35 | C36 | H362 | 160.1° | 180.0° |
| H361 | C36 | C37 | H371 | 137.2° | 180.0° |
| H361 | C36 | C37 | H372 | 17.4° | 60.1° |
| H362 | C36 | C37 | H371 | 102.9° | 60.0° |
| H362 | C36 | C37 | H372 | 137.3° | 179.9° |
| H371 | C37 | C38 | H383 | 59.9° | 180.0° |
| H371 | C37 | C38 | H381 | 179.9° | 60.0° |
| H371 | C37 | C38 | H382 | 60.1° | 60.1° |
| H372 | C37 | C38 | H383 | 59.9° | 60.0° |
| H372 | C37 | C38 | H381 | 60.1° | 180.0° |
| H372 | C37 | C38 | H382 | 179.9° | 59.9° |
| H383 | C38 | H381 | H382 | 120.0° | 119.9° |
| H443 | C44 | H441 | H442 | 120.0° | 120.0° |
| H531 | C53 | C54 | H541 | 0.2° | 0.1° |
