I4F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | N11 | sing | 1.46Å | 1.50Å | |
| C15 | C14 | sing | 1.52Å | 1.47Å | |
| O36 | C10 | doub | 1.22Å | 1.19Å | |
| N11 | C10 | sing | 1.35Å | 1.42Å | |
| N11 | C12 | sing | 1.47Å | 1.52Å | |
| C10 | C09 | sing | 1.47Å | 1.50Å | |
| C14 | C13 | sing | 1.52Å | 1.46Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | C17 | sing | 1.53Å | 1.53Å | |
| C13 | C24 | sing | 1.51Å | 1.57Å | |
| C09 | C08 | doub | 1.34Å | 1.28Å | |
| C08 | C07 | sing | 1.48Å | 1.50Å | |
| C20 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.52Å | |
| C52 | O53 | sing | 1.43Å | 1.40Å | |
| C52 | C51 | sing | 1.53Å | 1.51Å | |
| C18 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| O34 | C33 | doub | 1.21Å | 1.20Å | |
| O53 | C54 | sing | 1.43Å | 1.40Å | |
| C55 | C54 | sing | 1.53Å | 1.53Å | |
| C55 | N56 | sing | 1.47Å | 1.45Å | |
| N50 | C51 | sing | 1.47Å | 1.45Å | |
| N50 | C02 | sing | 1.35Å | 1.43Å | |
| N06 | C07 | sing | 1.36Å | 1.43Å | |
| N06 | C05 | sing | 1.49Å | 1.44Å | |
| C24 | N25 | sing | 1.36Å | 1.43Å | |
| C24 | O35 | doub | 1.21Å | 1.19Å | |
| N25 | C26 | sing | 1.48Å | 1.44Å | |
| C07 | O37 | doub | 1.22Å | 1.18Å | |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| O49 | C39 | doub | 1.21Å | 1.19Å | |
| C33 | C26 | sing | 1.51Å | 1.53Å | |
| C33 | N44 | sing | 1.36Å | 1.42Å | |
| C23 | C22 | sing | 1.38Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.53Å | 1.54Å | |
| C03 | C02 | sing | 1.51Å | 1.51Å | |
| C03 | N38 | sing | 1.48Å | 1.44Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C02 | O01 | doub | 1.21Å | 1.19Å | |
| C26 | C27 | sing | 1.53Å | 1.49Å | |
| C27 | C28 | sing | 1.51Å | 1.50Å | |
| C43 | N44 | sing | 1.48Å | 1.45Å | |
| C43 | C42 | sing | 1.50Å | 1.52Å | |
| C39 | N38 | sing | 1.37Å | 1.41Å | |
| C39 | C40 | sing | 1.51Å | 1.51Å | |
| C45 | C42 | doub | 1.38Å | 1.39Å | Aromatic |
| C45 | C46 | sing | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | doub | 1.35Å | 1.37Å | Aromatic |
| C28 | O32 | sing | 1.34Å | 1.34Å | Aromatic |
| C29 | C30 | sing | 1.41Å | 1.39Å | Aromatic |
| C42 | C41 | sing | 1.38Å | 1.39Å | Aromatic |
| C46 | C47 | doub | 1.38Å | 1.38Å | Aromatic |
| C41 | C40 | sing | 1.51Å | 1.51Å | |
| C41 | C48 | doub | 1.38Å | 1.38Å | Aromatic |
| O32 | C31 | sing | 1.34Å | 1.34Å | Aromatic |
| C47 | C48 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | C31 | doub | 1.34Å | 1.39Å | Aromatic |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C22 | H221 | sing | 1.08Å | 1.08Å | |
| C26 | H261 | 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 | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.09Å | 1.08Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.08Å | 1.08Å | |
| C46 | H461 | sing | 1.08Å | 1.08Å | |
| C47 | H471 | sing | 1.08Å | 1.08Å | |
| C48 | H481 | sing | 1.08Å | 1.08Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| C54 | H542 | sing | 1.09Å | 1.10Å | |
| C55 | H552 | sing | 1.09Å | 1.10Å | |
| C55 | H551 | sing | 1.09Å | 1.10Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| N25 | H251 | sing | 0.97Å | 1.00Å | |
| N38 | H381 | sing | 0.97Å | 1.00Å | |
| N44 | H441 | sing | 0.97Å | 1.00Å | |
| N50 | H501 | sing | 0.97Å | 1.00Å | |
| N56 | H1 | sing | 1.01Å | 1.00Å | |
| N56 | H561 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C16 | N11 | 109.9° | 108.4° |
| C16 | C15 | C14 | 114.5° | 112.3° |
| C16 | C15 | H151 | 108.2° | 108.9° |
| C16 | C15 | H152 | 108.2° | 108.9° |
| C15 | C16 | H161 | 109.4° | 109.6° |
| C15 | C16 | H162 | 109.3° | 109.7° |
| C16 | N11 | C10 | 121.5° | 122.1° |
| C16 | N11 | C12 | 112.7° | 119.5° |
| N11 | C16 | H161 | 109.4° | 109.7° |
| N11 | C16 | H162 | 109.4° | 109.7° |
| C15 | C14 | C13 | 118.2° | 113.6° |
| C14 | C15 | H151 | 108.2° | 108.9° |
| C14 | C15 | H152 | 108.2° | 108.9° |
| C15 | C14 | H141 | 107.2° | 108.7° |
| C15 | C14 | H142 | 107.2° | 108.7° |
| O36 | C10 | N11 | 119.8° | 120.7° |
| O36 | C10 | C09 | 122.4° | 120.7° |
| C10 | N11 | C12 | 125.7° | 118.4° |
| N11 | C10 | C09 | 117.7° | 118.5° |
| N11 | C12 | C13 | 113.6° | 109.2° |
| N11 | C12 | H121 | 108.4° | 109.5° |
| N11 | C12 | H122 | 108.4° | 109.5° |
| C10 | C09 | C08 | 120.2° | 122.5° |
| C10 | C09 | H091 | 119.9° | 119.2° |
| C14 | C13 | C12 | 110.5° | 110.0° |
| C14 | C13 | C17 | 112.8° | 110.1° |
| C14 | C13 | C24 | 114.1° | 109.8° |
| C13 | C14 | H141 | 107.2° | 108.7° |
| C13 | C14 | H142 | 107.2° | 108.6° |
| C12 | C13 | C17 | 107.9° | 109.5° |
| C12 | C13 | C24 | 102.2° | 108.2° |
| C13 | C12 | H121 | 108.4° | 109.5° |
| C13 | C12 | H122 | 108.4° | 109.5° |
| C20 | C19 | C18 | 119.8° | 119.9° |
| C19 | C20 | C21 | 119.8° | 120.1° |
| C19 | C20 | H201 | 120.1° | 120.0° |
| C20 | C19 | H191 | 120.1° | 120.1° |
| C19 | C18 | C17 | 120.5° | 119.9° |
| C19 | C18 | C23 | 120.1° | 120.1° |
| C18 | C19 | H191 | 120.1° | 120.0° |
| C17 | C13 | C24 | 108.7° | 109.2° |
| C13 | C17 | C18 | 110.3° | 109.5° |
| C13 | C17 | H172 | 109.3° | 109.5° |
| C13 | C17 | H171 | 109.3° | 109.6° |
| C13 | C24 | N25 | 117.3° | 118.2° |
| C13 | C24 | O35 | 121.7° | 120.9° |
| C09 | C08 | C07 | 121.7° | 118.0° |
| C09 | C08 | H081 | 119.2° | 120.9° |
| C08 | C09 | H091 | 119.9° | 118.2° |
| C08 | C07 | N06 | 114.1° | 119.8° |
| C08 | C07 | O37 | 122.5° | 120.1° |
| C07 | C08 | H081 | 119.2° | 121.0° |
| C20 | C21 | C22 | 120.3° | 120.0° |
| C21 | C20 | H201 | 120.1° | 120.0° |
| C20 | C21 | H211 | 119.8° | 120.0° |
| C17 | C18 | C23 | 119.4° | 120.0° |
| C18 | C17 | H172 | 109.3° | 109.4° |
| C18 | C17 | H171 | 109.3° | 109.5° |
| O53 | C52 | C51 | 104.0° | 109.5° |
| C52 | O53 | C54 | 114.5° | 114.0° |
| O53 | C52 | H522 | 110.8° | 109.5° |
| O53 | C52 | H521 | 110.8° | 109.5° |
| C52 | C51 | N50 | 117.2° | 109.5° |
| C52 | C51 | H511 | 107.5° | 109.5° |
| C52 | C51 | H512 | 107.5° | 109.5° |
| C51 | C52 | H522 | 110.8° | 109.5° |
| C51 | C52 | H521 | 110.8° | 109.4° |
| C18 | C23 | C22 | 120.1° | 120.0° |
| C18 | C23 | H231 | 119.9° | 120.0° |
| O34 | C33 | C26 | 122.6° | 120.4° |
| O34 | C33 | N44 | 122.0° | 120.4° |
| O53 | C54 | C55 | 108.6° | 109.5° |
| O53 | C54 | H541 | 109.7° | 109.5° |
| O53 | C54 | H542 | 109.7° | 109.4° |
| C54 | C55 | N56 | 110.4° | 109.5° |
| C55 | C54 | H541 | 109.7° | 109.5° |
| C55 | C54 | H542 | 109.7° | 109.5° |
| C54 | C55 | H552 | 109.2° | 109.5° |
| C54 | C55 | H551 | 109.2° | 109.5° |
| N56 | C55 | H552 | 109.2° | 109.4° |
| N56 | C55 | H551 | 109.2° | 109.4° |
| C55 | N56 | H1 | 109.5° | 111.0° |
| C55 | N56 | H561 | 109.5° | 111.0° |
| C51 | N50 | C02 | 117.3° | 120.0° |
| N50 | C51 | H511 | 107.5° | 109.5° |
| N50 | C51 | H512 | 107.5° | 109.4° |
| C51 | N50 | H501 | 121.4° | 120.0° |
| N50 | C02 | C03 | 116.5° | 120.0° |
| N50 | C02 | O01 | 121.0° | 120.0° |
| C02 | N50 | H501 | 121.4° | 120.0° |
| C07 | N06 | C05 | 121.3° | 114.6° |
| N06 | C07 | O37 | 123.4° | 120.0° |
| C07 | N06 | H061 | 119.3° | 122.7° |
| N06 | C05 | C04 | 107.2° | 108.6° |
| N06 | C05 | H052 | 110.1° | 109.6° |
| N06 | C05 | H051 | 110.0° | 109.6° |
| C05 | N06 | H061 | 119.3° | 122.7° |
| N25 | C24 | O35 | 121.0° | 120.9° |
| C24 | N25 | C26 | 117.3° | 116.3° |
| C24 | N25 | H251 | 121.4° | 121.9° |
| N25 | C26 | C33 | 104.9° | 108.0° |
| N25 | C26 | C27 | 111.5° | 109.8° |
| N25 | C26 | H261 | 112.0° | 109.8° |
| C26 | N25 | H251 | 121.4° | 121.8° |
| C21 | C22 | C23 | 119.9° | 120.0° |
| C22 | C21 | H211 | 119.8° | 120.0° |
| C21 | C22 | H221 | 120.0° | 120.0° |
| O49 | C39 | N38 | 122.1° | 120.1° |
| O49 | C39 | C40 | 125.0° | 120.1° |
| C26 | C33 | N44 | 115.5° | 119.2° |
| C33 | C26 | C27 | 106.4° | 109.8° |
| C33 | C26 | H261 | 110.6° | 109.8° |
| C33 | N44 | C43 | 120.0° | 114.6° |
| C33 | N44 | H441 | 120.0° | 122.7° |
| C23 | C22 | H221 | 120.0° | 120.0° |
| C22 | C23 | H231 | 120.0° | 120.0° |
| C04 | C03 | C02 | 106.6° | 109.4° |
| C04 | C03 | N38 | 109.0° | 109.8° |
| C03 | C04 | C05 | 115.1° | 109.7° |
| C04 | C03 | H031 | 109.7° | 109.4° |
| C03 | C04 | H041 | 108.0° | 109.4° |
| C03 | C04 | H042 | 108.0° | 109.4° |
| C02 | C03 | N38 | 110.0° | 109.4° |
| C03 | C02 | O01 | 122.5° | 120.0° |
| C02 | C03 | H031 | 110.1° | 109.4° |
| C03 | N38 | C39 | 119.8° | 115.6° |
| N38 | C03 | H031 | 111.2° | 109.4° |
| C03 | N38 | H381 | 120.1° | 122.2° |
| C05 | C04 | H041 | 108.1° | 109.4° |
| C05 | C04 | H042 | 108.0° | 109.5° |
| C04 | C05 | H052 | 110.1° | 109.6° |
| C04 | C05 | H051 | 110.0° | 109.6° |
| C26 | C27 | C28 | 113.0° | 109.5° |
| C27 | C26 | H261 | 111.2° | 109.7° |
| C26 | C27 | H272 | 108.6° | 109.5° |
| C26 | C27 | H271 | 108.6° | 109.4° |
| C27 | C28 | C29 | 130.6° | 125.8° |
| C27 | C28 | O32 | 119.7° | 125.8° |
| C28 | C27 | H272 | 108.6° | 109.6° |
| C28 | C27 | H271 | 108.6° | 109.5° |
| N44 | C43 | C42 | 115.2° | 108.3° |
| N44 | C43 | H432 | 108.0° | 109.7° |
| N44 | C43 | H431 | 108.0° | 109.7° |
| C43 | N44 | H441 | 120.0° | 122.7° |
| C43 | C42 | C45 | 118.9° | 119.6° |
| C43 | C42 | C41 | 121.7° | 120.3° |
| C42 | C43 | H432 | 108.0° | 109.7° |
| C42 | C43 | H431 | 108.0° | 109.7° |
| N38 | C39 | C40 | 112.9° | 119.7° |
| C39 | N38 | H381 | 120.1° | 122.2° |
| C39 | C40 | C41 | 110.1° | 109.1° |
| C39 | C40 | H401 | 109.3° | 109.5° |
| C39 | C40 | H402 | 109.3° | 109.5° |
| C42 | C45 | C46 | 120.5° | 120.0° |
| C45 | C42 | C41 | 119.4° | 120.1° |
| C42 | C45 | H451 | 119.8° | 120.0° |
| C45 | C46 | C47 | 119.5° | 119.9° |
| C46 | C45 | H451 | 119.8° | 120.0° |
| C45 | C46 | H461 | 120.2° | 120.1° |
| C29 | C28 | O32 | 109.7° | 108.4° |
| C28 | C29 | C30 | 105.8° | 106.8° |
| C28 | C29 | H291 | 127.1° | 126.6° |
| C28 | O32 | C31 | 109.2° | 109.5° |
| C29 | C30 | C31 | 107.9° | 106.8° |
| C30 | C29 | H291 | 127.1° | 126.6° |
| C29 | C30 | H301 | 126.1° | 126.5° |
| C42 | C41 | C40 | 122.8° | 120.3° |
| C42 | C41 | C48 | 120.2° | 120.0° |
| C46 | C47 | C48 | 120.4° | 120.1° |
| C47 | C46 | H461 | 120.3° | 120.0° |
| C46 | C47 | H471 | 119.8° | 120.0° |
| C40 | C41 | C48 | 117.0° | 119.7° |
| C41 | C40 | H401 | 109.3° | 109.6° |
| C41 | C40 | H402 | 109.3° | 109.6° |
| C41 | C48 | C47 | 120.1° | 119.9° |
| C41 | C48 | H481 | 120.0° | 120.1° |
| O32 | C31 | C30 | 107.4° | 108.5° |
| O32 | C31 | H311 | 126.3° | 125.8° |
| C48 | C47 | H471 | 119.8° | 119.9° |
| C47 | C48 | H481 | 119.9° | 120.1° |
| C31 | C30 | H301 | 126.1° | 126.6° |
| C30 | C31 | H311 | 126.3° | 125.8° |
| H151 | C15 | H152 | 109.5° | 108.9° |
| H172 | C17 | H171 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.3° |
| H052 | C05 | H051 | 109.5° | 109.8° |
| H121 | C12 | H122 | 109.5° | 109.6° |
| H141 | C14 | H142 | 109.5° | 108.5° |
| H161 | C16 | H162 | 109.5° | 109.7° |
| H272 | C27 | H271 | 109.5° | 109.5° |
| H401 | C40 | H402 | 109.5° | 109.5° |
| H432 | C43 | H431 | 109.5° | 109.8° |
| H511 | C51 | H512 | 109.5° | 109.5° |
| H522 | C52 | H521 | 109.5° | 109.5° |
| H541 | C54 | H542 | 109.5° | 109.5° |
| H552 | C55 | H551 | 109.5° | 109.5° |
| H1 | N56 | H561 | 109.4° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C16 | N11 | H161 | 120.1° | 119.7° |
| C15 | C16 | N11 | H162 | 120.1° | 119.8° |
| C16 | C15 | C14 | H151 | 120.8° | 120.7° |
| C16 | C15 | C14 | H152 | 120.7° | 120.7° |
| C15 | C16 | N11 | C10 | 131.6° | 146.7° |
| C15 | C16 | N11 | C12 | 52.7° | 32.4° |
| C16 | C15 | C14 | C13 | 46.6° | 24.4° |
| C16 | C15 | H151 | H152 | 117.7° | 118.6° |
| C16 | C15 | C14 | H141 | 74.6° | 145.6° |
| C16 | C15 | C14 | H142 | 167.9° | 96.6° |
| C15 | C16 | H161 | H162 | 119.8° | 120.5° |
| N11 | C16 | C15 | C14 | 48.3° | 58.8° |
| C16 | N11 | C10 | O36 | 3.3° | 11.8° |
| C16 | N11 | C10 | C12 | 175.1° | 179.1° |
| C16 | N11 | C10 | C09 | 179.5° | 167.9° |
| C16 | N11 | C12 | C13 | 54.5° | 25.8° |
| N11 | C16 | C15 | H151 | 169.1° | 61.9° |
| N11 | C16 | C15 | H152 | 72.4° | 179.5° |
| C16 | N11 | C12 | H121 | 175.1° | 145.8° |
| C16 | N11 | C12 | H122 | 66.1° | 94.1° |
| N11 | C16 | H161 | H162 | 119.8° | 120.6° |
| C15 | C14 | C13 | H141 | 121.2° | 121.1° |
| C15 | C14 | C13 | H142 | 121.3° | 121.1° |
| C15 | C14 | C13 | C12 | 44.8° | 34.6° |
| C15 | C14 | C13 | C17 | 165.6° | 86.2° |
| C15 | C14 | C13 | C24 | 69.7° | 153.6° |
| C14 | C15 | H151 | H152 | 117.7° | 118.7° |
| C15 | C14 | H141 | H142 | 116.0° | 118.0° |
| C14 | C15 | C16 | H161 | 168.4° | 178.6° |
| C14 | C15 | C16 | H162 | 71.7° | 61.0° |
| O36 | C10 | N11 | C09 | 177.3° | 179.7° |
| O36 | C10 | N11 | C12 | 178.4° | 167.3° |
| O36 | C10 | C09 | C08 | 5.9° | 23.0° |
| O36 | C10 | C09 | H091 | 174.1° | 156.7° |
| C10 | N11 | C12 | C13 | 130.0° | 155.0° |
| N11 | C10 | C09 | C08 | 176.9° | 157.2° |
| N11 | C10 | C09 | H091 | 3.1° | 23.0° |
| C10 | N11 | C12 | H121 | 9.4° | 35.1° |
| C10 | N11 | C12 | H122 | 109.4° | 85.0° |
| C10 | N11 | C16 | H161 | 11.5° | 27.0° |
| C10 | N11 | C16 | H162 | 108.3° | 93.5° |
| C12 | N11 | C10 | C09 | 4.3° | 13.0° |
| N11 | C12 | C13 | C14 | 47.8° | 60.7° |
| N11 | C12 | C13 | H121 | 120.6° | 119.9° |
| N11 | C12 | C13 | H122 | 120.6° | 119.9° |
| N11 | C12 | C13 | C17 | 171.6° | 60.4° |
| N11 | C12 | C13 | C24 | 73.9° | 179.3° |
| N11 | C12 | H121 | H122 | 118.1° | 120.1° |
| C12 | N11 | C16 | H161 | 172.8° | 152.1° |
| C12 | N11 | C16 | H162 | 67.4° | 87.4° |
| C10 | C09 | C08 | H091 | 180.0° | 179.8° |
| C10 | C09 | C08 | C07 | 167.8° | 179.6° |
| C10 | C09 | C08 | H081 | 12.2° | 2.5° |
| C14 | C13 | C12 | C17 | 123.8° | 121.1° |
| C14 | C13 | C12 | C24 | 121.8° | 120.0° |
| C14 | C13 | C17 | C24 | 127.6° | 120.6° |
| C14 | C13 | C17 | C18 | 48.1° | 63.0° |
| C14 | C13 | C24 | N25 | 5.4° | 171.5° |
| C14 | C13 | C24 | O35 | 173.2° | 8.6° |
| C13 | C14 | C15 | H151 | 167.4° | 96.3° |
| C13 | C14 | C15 | H152 | 74.1° | 145.1° |
| C14 | C13 | C17 | H172 | 168.2° | 177.1° |
| C14 | C13 | C17 | H171 | 72.0° | 57.1° |
| C14 | C13 | C12 | H121 | 168.5° | 179.4° |
| C14 | C13 | C12 | H122 | 72.7° | 59.2° |
| C13 | C14 | H141 | H142 | 116.0° | 117.9° |
| C12 | C13 | C17 | C24 | 110.1° | 118.3° |
| C12 | C13 | C17 | C18 | 170.5° | 176.0° |
| C12 | C13 | C24 | N25 | 124.6° | 51.4° |
| C12 | C13 | C24 | O35 | 53.9° | 128.7° |
| C12 | C13 | C17 | H172 | 69.4° | 56.1° |
| C12 | C13 | C17 | H171 | 50.4° | 64.0° |
| C13 | C12 | H121 | H122 | 118.1° | 120.2° |
| C12 | C13 | C14 | H141 | 76.5° | 86.5° |
| C12 | C13 | C14 | H142 | 166.0° | 155.6° |
| C20 | C19 | C18 | H191 | 180.0° | 180.0° |
| C19 | C20 | C21 | H201 | 180.0° | 179.7° |
| C20 | C19 | C18 | C17 | 178.7° | 179.8° |
| C20 | C19 | C18 | C23 | 0.6° | 0.5° |
| C19 | C20 | C21 | C22 | 0.6° | 0.3° |
| C19 | C20 | C21 | H211 | 179.4° | 179.7° |
| C19 | C18 | C17 | C13 | 100.1° | 93.5° |
| C18 | C19 | C20 | C21 | 0.0° | 0.0° |
| C19 | C18 | C17 | C23 | 179.3° | 179.2° |
| C19 | C18 | C23 | C22 | 0.7° | 0.8° |
| C19 | C18 | C17 | H172 | 139.7° | 146.6° |
| C19 | C18 | C17 | H171 | 20.0° | 26.6° |
| C18 | C19 | C20 | H201 | 180.0° | 179.7° |
| C19 | C18 | C23 | H231 | 179.3° | 179.9° |
| C13 | C17 | C18 | H172 | 120.1° | 119.9° |
| C13 | C17 | C18 | H171 | 120.1° | 120.1° |
| C13 | C17 | C18 | C23 | 79.2° | 87.3° |
| C17 | C13 | C24 | N25 | 121.5° | 67.8° |
| C17 | C13 | C24 | O35 | 59.9° | 112.2° |
| C13 | C17 | H172 | H171 | 119.6° | 120.1° |
| C17 | C13 | C12 | H121 | 67.8° | 59.5° |
| C17 | C13 | C12 | H122 | 51.0° | 179.7° |
| C17 | C13 | C14 | H141 | 44.4° | 152.7° |
| C17 | C13 | C14 | H142 | 73.1° | 34.9° |
| C24 | C13 | C17 | C18 | 79.5° | 57.6° |
| C13 | C24 | N25 | O35 | 178.6° | 179.9° |
| C13 | C24 | N25 | C26 | 174.0° | 175.4° |
| C24 | C13 | C17 | H172 | 40.7° | 62.3° |
| C24 | C13 | C17 | H171 | 160.4° | 177.7° |
| C24 | C13 | C12 | H121 | 46.7° | 59.4° |
| C24 | C13 | C12 | H122 | 165.5° | 60.8° |
| C24 | C13 | C14 | H141 | 169.1° | 32.5° |
| C24 | C13 | C14 | H142 | 51.6° | 85.4° |
| C13 | C24 | N25 | H251 | 6.0° | 4.5° |
| C09 | C08 | C07 | H081 | 180.0° | 177.9° |
| C09 | C08 | C07 | N06 | 143.0° | 162.3° |
| C09 | C08 | C07 | O37 | 38.4° | 17.7° |
| C08 | C07 | N06 | O37 | 178.6° | 180.0° |
| C08 | C07 | N06 | C05 | 178.2° | 178.7° |
| C07 | C08 | C09 | H091 | 12.3° | 0.2° |
| C08 | C07 | N06 | H061 | 1.8° | 1.2° |
| C20 | C21 | C22 | H211 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.6° | 0.1° |
| C20 | C21 | C22 | H221 | 179.4° | 179.9° |
| C21 | C20 | C19 | H191 | 180.0° | 180.0° |
| C17 | C18 | C23 | C22 | 178.6° | 180.0° |
| C18 | C17 | H172 | H171 | 119.6° | 120.0° |
| C17 | C18 | C19 | H191 | 1.3° | 0.3° |
| C17 | C18 | C23 | H231 | 1.3° | 0.7° |
| O53 | C52 | C51 | H522 | 119.1° | 120.0° |
| O53 | C52 | C51 | H521 | 119.2° | 120.0° |
| C52 | O53 | C54 | C55 | 164.8° | 173.7° |
| O53 | C52 | C51 | N50 | 178.6° | 59.8° |
| O53 | C52 | C51 | H511 | 60.3° | 179.8° |
| O53 | C52 | C51 | H512 | 57.5° | 60.1° |
| O53 | C52 | H522 | H521 | 122.6° | 120.0° |
| C52 | O53 | C54 | H541 | 75.4° | 53.7° |
| C52 | O53 | C54 | H542 | 44.9° | 66.3° |
| C51 | C52 | O53 | C54 | 151.0° | 174.3° |
| C52 | C51 | N50 | H511 | 121.1° | 120.1° |
| C52 | C51 | N50 | H512 | 121.1° | 120.0° |
| C52 | C51 | N50 | C02 | 114.8° | 178.0° |
| C52 | C51 | H511 | H512 | 116.5° | 120.1° |
| C51 | C52 | H522 | H521 | 122.5° | 120.0° |
| C52 | C51 | N50 | H501 | 65.2° | 1.9° |
| C18 | C23 | C22 | C21 | 0.1° | 0.5° |
| C18 | C23 | C22 | H231 | 180.0° | 179.3° |
| C23 | C18 | C17 | H172 | 40.9° | 32.6° |
| C23 | C18 | C17 | H171 | 160.7° | 152.6° |
| C18 | C23 | C22 | H221 | 179.9° | 179.5° |
| C23 | C18 | C19 | H191 | 179.4° | 179.5° |
| O34 | C33 | C26 | N25 | 52.8° | 41.1° |
| O34 | C33 | C26 | N44 | 179.3° | 179.9° |
| O34 | C33 | C26 | C27 | 65.4° | 78.6° |
| O34 | C33 | N44 | C43 | 4.2° | 0.8° |
| O34 | C33 | C26 | H261 | 173.7° | 160.7° |
| O34 | C33 | N44 | H441 | 175.9° | 179.1° |
| O53 | C54 | C55 | H541 | 119.9° | 120.1° |
| O53 | C54 | C55 | H542 | 119.9° | 119.9° |
| O53 | C54 | C55 | N56 | 26.1° | 62.7° |
| C54 | O53 | C52 | H522 | 89.9° | 65.7° |
| C54 | O53 | C52 | H521 | 31.9° | 54.4° |
| O53 | C54 | H541 | H542 | 120.4° | 119.9° |
| O53 | C54 | C55 | H552 | 146.2° | 177.3° |
| O53 | C54 | C55 | H551 | 94.1° | 57.3° |
| C54 | C55 | N56 | H552 | 120.1° | 120.0° |
| C54 | C55 | N56 | H551 | 120.2° | 120.0° |
| C55 | C54 | H541 | H542 | 120.4° | 120.0° |
| C54 | C55 | H552 | H551 | 119.6° | 120.1° |
| C54 | C55 | N56 | H1 | 180.0° | 174.7° |
| C54 | C55 | N56 | H561 | 60.0° | 61.4° |
| N56 | C55 | C54 | H541 | 93.8° | 177.2° |
| N56 | C55 | C54 | H542 | 145.9° | 57.2° |
| N56 | C55 | H552 | H551 | 119.6° | 119.9° |
| C55 | N56 | H1 | H561 | 120.0° | 124.0° |
| C51 | N50 | C02 | H501 | 180.0° | 179.9° |
| C51 | N50 | C02 | C03 | 175.9° | 178.6° |
| C51 | N50 | C02 | O01 | 2.9° | 1.4° |
| N50 | C51 | H511 | H512 | 116.5° | 119.9° |
| N50 | C51 | C52 | H522 | 59.5° | 179.8° |
| N50 | C51 | C52 | H521 | 62.3° | 60.2° |
| N50 | C02 | C03 | C04 | 89.1° | 129.4° |
| N50 | C02 | C03 | O01 | 178.8° | 180.0° |
| N50 | C02 | C03 | N38 | 152.8° | 110.3° |
| N50 | C02 | C03 | H031 | 29.8° | 9.5° |
| C02 | N50 | C51 | H511 | 6.3° | 58.0° |
| C02 | N50 | C51 | H512 | 124.1° | 62.0° |
| C07 | N06 | C05 | H061 | 180.0° | 179.9° |
| C07 | N06 | C05 | C04 | 133.1° | 80.3° |
| C07 | N06 | C05 | H052 | 107.2° | 39.4° |
| C07 | N06 | C05 | H051 | 13.5° | 160.0° |
| N06 | C07 | C08 | H081 | 37.1° | 15.6° |
| C05 | N06 | C07 | O37 | 0.3° | 1.4° |
| N06 | C05 | C04 | C03 | 55.8° | 117.9° |
| N06 | C05 | C04 | H052 | 119.7° | 119.7° |
| N06 | C05 | C04 | H051 | 119.6° | 119.7° |
| N06 | C05 | C04 | H041 | 176.6° | 122.1° |
| N06 | C05 | C04 | H042 | 65.1° | 2.3° |
| N06 | C05 | H052 | H051 | 121.1° | 120.5° |
| C24 | N25 | C26 | H251 | 180.0° | 179.9° |
| C24 | N25 | C26 | C33 | 70.6° | 121.0° |
| C24 | N25 | C26 | C27 | 174.7° | 1.4° |
| C24 | N25 | C26 | H261 | 49.3° | 119.3° |
| O35 | C24 | N25 | C26 | 4.6° | 4.7° |
| O35 | C24 | N25 | H251 | 175.5° | 175.4° |
| N25 | C26 | C33 | C27 | 118.2° | 119.6° |
| N25 | C26 | C33 | H261 | 120.9° | 119.6° |
| N25 | C26 | C33 | N44 | 127.9° | 139.0° |
| N25 | C26 | C27 | H261 | 125.7° | 120.7° |
| N25 | C26 | C27 | C28 | 90.5° | 177.8° |
| N25 | C26 | C27 | H272 | 30.1° | 62.1° |
| N25 | C26 | C27 | H271 | 149.0° | 57.9° |
| O37 | C07 | C08 | H081 | 141.5° | 164.4° |
| O37 | C07 | N06 | H061 | 179.6° | 178.7° |
| C21 | C22 | C23 | H221 | 180.0° | 180.0° |
| C22 | C21 | C20 | H201 | 179.4° | 180.0° |
| C21 | C22 | C23 | H231 | 179.9° | 179.8° |
| O49 | C39 | N38 | C03 | 1.6° | 176.3° |
| O49 | C39 | N38 | C40 | 179.7° | 180.0° |
| O49 | C39 | C40 | C41 | 21.8° | 3.3° |
| O49 | C39 | C40 | H401 | 141.9° | 116.6° |
| O49 | C39 | C40 | H402 | 98.3° | 123.3° |
| O49 | C39 | N38 | H381 | 178.3° | 3.8° |
| C33 | C26 | C27 | H261 | 120.4° | 120.8° |
| C33 | C26 | C27 | C28 | 155.7° | 59.3° |
| C26 | C33 | N44 | C43 | 176.5° | 179.1° |
| C33 | C26 | C27 | H272 | 83.7° | 179.4° |
| C33 | C26 | C27 | H271 | 35.2° | 60.6° |
| C33 | C26 | N25 | H251 | 109.4° | 58.9° |
| C26 | C33 | N44 | H441 | 3.4° | 0.9° |
| N44 | C33 | C26 | C27 | 113.9° | 101.4° |
| C33 | N44 | C43 | H441 | 180.0° | 180.0° |
| C33 | N44 | C43 | C42 | 102.2° | 162.0° |
| N44 | C33 | C26 | H261 | 7.0° | 19.4° |
| C33 | N44 | C43 | H432 | 18.6° | 42.3° |
| C33 | N44 | C43 | H431 | 136.9° | 78.3° |
| C23 | C22 | C21 | H211 | 179.4° | 180.0° |
| C04 | C03 | C02 | N38 | 118.1° | 120.3° |
| C04 | C03 | C02 | H031 | 118.9° | 119.9° |
| C04 | C03 | N38 | H031 | 121.1° | 120.1° |
| C03 | C04 | C05 | H041 | 120.8° | 120.1° |
| C03 | C04 | C05 | H042 | 120.8° | 120.1° |
| C04 | C03 | C02 | O01 | 89.7° | 50.6° |
| C04 | C03 | N38 | C39 | 126.2° | 146.6° |
| C03 | C04 | H041 | H042 | 117.4° | 119.8° |
| C03 | C04 | C05 | H052 | 175.4° | 1.8° |
| C03 | C04 | C05 | H051 | 63.9° | 122.4° |
| C04 | C03 | N38 | H381 | 53.8° | 33.4° |
| C02 | C03 | N38 | H031 | 122.3° | 119.9° |
| C02 | C03 | C04 | C05 | 167.6° | 109.3° |
| C02 | C03 | N38 | C39 | 117.2° | 26.5° |
| C02 | C03 | C04 | H041 | 46.7° | 130.6° |
| C02 | C03 | C04 | H042 | 71.6° | 10.8° |
| C02 | C03 | N38 | H381 | 62.8° | 153.5° |
| C03 | C02 | N50 | H501 | 4.1° | 1.3° |
| N38 | C03 | C04 | C05 | 48.8° | 130.6° |
| N38 | C03 | C02 | O01 | 28.4° | 69.7° |
| C03 | N38 | C39 | H381 | 180.0° | 180.0° |
| C03 | N38 | C39 | C40 | 178.0° | 3.7° |
| N38 | C03 | C04 | H041 | 72.0° | 10.5° |
| N38 | C03 | C04 | H042 | 169.6° | 109.2° |
| C05 | C04 | C03 | H031 | 73.2° | 10.6° |
| C05 | C04 | H041 | H042 | 117.4° | 119.9° |
| C04 | C05 | H052 | H051 | 121.0° | 120.5° |
| C04 | C05 | N06 | H061 | 46.9° | 99.6° |
| O01 | C02 | C03 | H031 | 151.4° | 170.5° |
| O01 | C02 | N50 | H501 | 177.1° | 178.7° |
| C26 | C27 | C28 | H272 | 120.5° | 120.1° |
| C26 | C27 | C28 | H271 | 120.5° | 119.9° |
| C26 | C27 | C28 | C29 | 52.7° | 85.0° |
| C26 | C27 | C28 | O32 | 130.3° | 95.4° |
| C26 | C27 | H272 | H271 | 118.4° | 119.9° |
| C27 | C26 | N25 | H251 | 5.4° | 178.6° |
| C27 | C28 | C29 | O32 | 177.2° | 179.6° |
| C27 | C28 | C29 | C30 | 178.9° | 179.7° |
| C27 | C28 | O32 | C31 | 178.2° | 179.7° |
| C28 | C27 | C26 | H261 | 35.3° | 61.5° |
| C28 | C27 | H272 | H271 | 118.3° | 120.0° |
| C27 | C28 | C29 | H291 | 1.1° | 0.4° |
| N44 | C43 | C42 | H432 | 120.9° | 119.7° |
| N44 | C43 | C42 | H431 | 120.9° | 119.7° |
| N44 | C43 | C42 | C45 | 46.4° | 72.9° |
| N44 | C43 | C42 | C41 | 135.5° | 107.0° |
| N44 | C43 | H432 | H431 | 117.4° | 120.5° |
| C43 | C42 | C45 | C41 | 178.1° | 179.9° |
| C43 | C42 | C45 | C46 | 177.7° | 180.0° |
| C43 | C42 | C41 | C40 | 1.4° | 0.1° |
| C43 | C42 | C41 | C48 | 177.8° | 179.9° |
| C42 | C43 | H432 | H431 | 117.3° | 120.7° |
| C43 | C42 | C45 | H451 | 2.3° | 0.1° |
| C42 | C43 | N44 | H441 | 77.8° | 18.0° |
| N38 | C39 | C40 | C41 | 158.5° | 176.7° |
| C39 | N38 | C03 | H031 | 5.1° | 93.4° |
| N38 | C39 | C40 | H401 | 38.4° | 63.3° |
| N38 | C39 | C40 | H402 | 81.4° | 56.8° |
| C39 | C40 | C41 | C42 | 81.9° | 129.5° |
| C39 | C40 | C41 | H401 | 120.1° | 119.9° |
| C39 | C40 | C41 | H402 | 120.1° | 119.9° |
| C39 | C40 | C41 | C48 | 97.2° | 50.5° |
| C39 | C40 | H401 | H402 | 119.7° | 120.1° |
| C40 | C39 | N38 | H381 | 2.0° | 176.3° |
| C42 | C45 | C46 | H451 | 180.0° | 179.9° |
| C42 | C45 | C46 | C47 | 0.6° | 0.0° |
| C45 | C42 | C41 | C40 | 179.4° | 179.8° |
| C45 | C42 | C41 | C48 | 0.3° | 0.2° |
| C45 | C42 | C43 | H432 | 74.4° | 167.4° |
| C45 | C42 | C43 | H431 | 167.3° | 46.8° |
| C42 | C45 | C46 | H461 | 179.5° | 179.9° |
| C46 | C45 | C42 | C41 | 0.4° | 0.1° |
| C45 | C46 | C47 | H461 | 180.0° | 180.0° |
| C45 | C46 | C47 | C48 | 0.7° | 0.1° |
| C45 | C46 | C47 | H471 | 179.3° | 179.9° |
| C28 | C29 | C30 | H291 | 180.0° | 179.9° |
| C29 | C28 | O32 | C31 | 0.6° | 0.0° |
| C28 | C29 | C30 | C31 | 2.0° | 0.1° |
| C29 | C28 | C27 | H272 | 67.9° | 35.1° |
| C29 | C28 | C27 | H271 | 173.2° | 155.1° |
| C28 | C29 | C30 | H301 | 177.9° | 180.0° |
| O32 | C28 | C29 | C30 | 1.7° | 0.1° |
| C28 | O32 | C31 | C30 | 0.7° | 0.0° |
| O32 | C28 | C27 | H272 | 109.1° | 144.5° |
| O32 | C28 | C27 | H271 | 9.8° | 24.5° |
| O32 | C28 | C29 | H291 | 178.3° | 179.9° |
| C28 | O32 | C31 | H311 | 179.4° | 179.9° |
| C29 | C30 | C31 | O32 | 1.7° | 0.1° |
| C29 | C30 | C31 | H301 | 180.0° | 179.9° |
| C29 | C30 | C31 | H311 | 178.3° | 180.0° |
| C42 | C41 | C40 | C48 | 179.2° | 179.9° |
| C42 | C41 | C48 | C47 | 0.4° | 0.1° |
| C42 | C41 | C40 | H401 | 158.0° | 110.6° |
| C42 | C41 | C40 | H402 | 38.1° | 9.6° |
| C41 | C42 | C43 | H432 | 103.6° | 12.6° |
| C41 | C42 | C43 | H431 | 14.6° | 133.3° |
| C41 | C42 | C45 | H451 | 179.6° | 179.8° |
| C42 | C41 | C48 | H481 | 179.6° | 179.8° |
| C46 | C47 | C48 | C41 | 0.6° | 0.0° |
| C46 | C47 | C48 | H471 | 180.0° | 180.0° |
| C47 | C46 | C45 | H451 | 179.4° | 180.0° |
| C46 | C47 | C48 | H481 | 179.4° | 180.0° |
| C40 | C41 | C48 | C47 | 179.6° | 179.9° |
| C41 | C40 | H401 | H402 | 119.8° | 120.2° |
| C40 | C41 | C48 | H481 | 0.4° | 0.2° |
| C41 | C48 | C47 | H481 | 180.0° | 179.9° |
| C48 | C41 | C40 | H401 | 22.9° | 69.4° |
| C48 | C41 | C40 | H402 | 142.7° | 170.4° |
| C41 | C48 | C47 | H471 | 179.4° | 180.0° |
| O32 | C31 | C30 | H311 | 180.0° | 179.9° |
| O32 | C31 | C30 | H301 | 178.3° | 180.0° |
| C48 | C47 | C46 | H461 | 179.3° | 179.9° |
| C31 | C30 | C29 | H291 | 178.0° | 180.0° |
| H151 | C15 | C14 | H141 | 46.1° | 24.8° |
| H151 | C15 | C14 | H142 | 71.4° | 142.7° |
| H151 | C15 | C16 | H161 | 70.8° | 57.9° |
| H151 | C15 | C16 | H162 | 49.0° | 178.3° |
| H152 | C15 | C14 | H141 | 164.6° | 93.8° |
| H152 | C15 | C14 | H142 | 47.1° | 24.1° |
| H152 | C15 | C16 | H161 | 47.7° | 60.7° |
| H152 | C15 | C16 | H162 | 167.5° | 59.7° |
| H201 | C20 | C21 | H211 | 0.6° | 0.1° |
| H201 | C20 | C19 | H191 | 0.0° | 0.3° |
| H211 | C21 | C22 | H221 | 0.6° | 0.0° |
| H221 | C22 | C23 | H231 | 0.1° | 0.2° |
| H261 | C26 | C27 | H272 | 155.8° | 58.6° |
| H261 | C26 | C27 | H271 | 85.2° | 178.6° |
| H261 | C26 | N25 | H251 | 130.7° | 60.8° |
| H031 | C03 | C04 | H041 | 165.9° | 109.5° |
| H031 | C03 | C04 | H042 | 47.6° | 130.7° |
| H031 | C03 | N38 | H381 | 174.9° | 86.7° |
| H041 | C04 | C05 | H052 | 63.7° | 118.2° |
| H041 | C04 | C05 | H051 | 57.0° | 2.4° |
| H042 | C04 | C05 | H052 | 54.6° | 121.9° |
| H042 | C04 | C05 | H051 | 175.3° | 117.4° |
| H052 | C05 | N06 | H061 | 72.7° | 140.7° |
| H051 | C05 | N06 | H061 | 166.6° | 20.1° |
| H081 | C08 | C09 | H091 | 167.8° | 177.7° |
| H291 | C29 | C30 | H301 | 2.1° | 0.1° |
| H301 | C30 | C31 | H311 | 1.7° | 0.1° |
| H432 | C43 | N44 | H441 | 161.4° | 137.7° |
| H431 | C43 | N44 | H441 | 43.1° | 101.7° |
| H451 | C45 | C46 | H461 | 0.6° | 0.0° |
| H461 | C46 | C47 | H471 | 0.7° | 0.1° |
| H471 | C47 | C48 | H481 | 0.6° | 0.1° |
| H511 | C51 | C52 | H522 | 179.4° | 60.2° |
| H511 | C51 | C52 | H521 | 58.8° | 59.8° |
| H511 | C51 | N50 | H501 | 173.7° | 121.9° |
| H512 | C51 | C52 | H522 | 61.7° | 59.9° |
| H512 | C51 | C52 | H521 | 176.6° | 179.9° |
| H512 | C51 | N50 | H501 | 55.9° | 118.1° |
| H541 | C54 | C55 | H552 | 26.3° | 57.3° |
| H541 | C54 | C55 | H551 | 146.1° | 62.8° |
| H542 | C54 | C55 | H552 | 93.9° | 62.8° |
| H542 | C54 | C55 | H551 | 25.8° | 177.2° |
| H552 | C55 | N56 | H1 | 59.9° | 54.7° |
| H552 | C55 | N56 | H561 | 179.9° | 178.6° |
| H551 | C55 | N56 | H1 | 59.8° | 65.3° |
| H551 | C55 | N56 | H561 | 60.2° | 58.6° |
