5RS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | N13 | sing | 1.35Å | 1.41Å | |
| C14 | O15 | doub | 1.21Å | 1.23Å | |
| C14 | C16 | sing | 1.51Å | 1.51Å | |
| C11 | C10 | sing | 1.55Å | 1.47Å | |
| C11 | C12 | sing | 1.55Å | 1.46Å | |
| C11 | O29 | sing | 1.43Å | 1.44Å | |
| C10 | C09 | sing | 1.54Å | 1.50Å | |
| C12 | N13 | sing | 1.47Å | 1.46Å | |
| C01 | C02 | sing | 1.53Å | 1.50Å | |
| C02 | C03 | sing | 1.53Å | 1.43Å | |
| C03 | C04 | sing | 1.53Å | 1.50Å | |
| C03 | C05 | sing | 1.53Å | 1.52Å | |
| C04 | C05 | sing | 1.53Å | 1.53Å | |
| C05 | N06 | sing | 1.46Å | 1.41Å | |
| C05 | C44 | sing | 1.51Å | 1.50Å | |
| N06 | C07 | sing | 1.35Å | 1.43Å | |
| C07 | O08 | doub | 1.21Å | 1.19Å | |
| C07 | C09 | sing | 1.51Å | 1.55Å | |
| C09 | N13 | sing | 1.47Å | 1.45Å | |
| C16 | N17 | sing | 1.47Å | 1.43Å | |
| C16 | C25 | sing | 1.53Å | 1.57Å | |
| N17 | C18 | sing | 1.35Å | 1.44Å | |
| C18 | O19 | doub | 1.21Å | 1.17Å | |
| C18 | O20 | sing | 1.35Å | 1.36Å | |
| O20 | C21 | sing | 1.45Å | 1.40Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | C23 | sing | 1.53Å | 1.53Å | |
| C21 | C24 | sing | 1.53Å | 1.52Å | |
| C25 | C26 | sing | 1.53Å | 1.50Å | |
| C25 | C27 | sing | 1.53Å | 1.49Å | |
| C25 | C28 | sing | 1.53Å | 1.49Å | |
| O29 | C30 | sing | 1.36Å | 1.39Å | |
| C30 | C31 | doub | 1.40Å | 1.37Å | Aromatic |
| C30 | N41 | sing | 1.32Å | 1.32Å | Aromatic |
| C31 | C32 | sing | 1.51Å | 1.51Å | |
| C31 | N34 | sing | 1.31Å | 1.34Å | Aromatic |
| C32 | C33 | sing | 1.53Å | 1.46Å | |
| N34 | C35 | doub | 1.34Å | 1.36Å | Aromatic |
| C35 | C36 | sing | 1.41Å | 1.39Å | Aromatic |
| C35 | C40 | sing | 1.42Å | 1.34Å | Aromatic |
| C36 | C37 | doub | 1.36Å | 1.37Å | Aromatic |
| C37 | C38 | sing | 1.40Å | 1.33Å | Aromatic |
| C38 | C39 | doub | 1.37Å | 1.40Å | Aromatic |
| C38 | O42 | sing | 1.36Å | 1.40Å | |
| C39 | C40 | sing | 1.40Å | 1.38Å | Aromatic |
| C40 | N41 | doub | 1.34Å | 1.35Å | Aromatic |
| O42 | C43 | sing | 1.43Å | 1.42Å | |
| C44 | O45 | doub | 1.21Å | 1.14Å | |
| C44 | N46 | sing | 1.35Å | 1.35Å | |
| N46 | S47 | sing | 1.66Å | 1.58Å | |
| S47 | O48 | doub | 1.42Å | 1.41Å | |
| S47 | O49 | doub | 1.42Å | 1.33Å | |
| S47 | C50 | sing | 1.81Å | 1.79Å | |
| C50 | C51 | sing | 1.53Å | 1.50Å | |
| C50 | C52 | sing | 1.53Å | 1.51Å | |
| C51 | C52 | sing | 1.53Å | 1.50Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H1 | sing | 1.09Å | 1.10Å | |
| C02 | H2 | sing | 1.09Å | 1.10Å | |
| C02 | H3 | 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 | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| N17 | H171 | sing | 0.97Å | 1.00Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C23 | H233 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C24 | H243 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H263 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C27 | H273 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | 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 | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.08Å | 1.08Å | |
| C39 | H391 | sing | 1.08Å | 1.08Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H433 | sing | 1.09Å | 1.10Å | |
| N46 | H461 | sing | 0.97Å | 1.00Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C51 | H511 | sing | 1.09Å | 1.10Å | |
| C51 | H512 | sing | 1.09Å | 1.10Å | |
| C52 | H521 | sing | 1.09Å | 1.10Å | |
| C52 | H522 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N13 | C14 | O15 | 118.3° | 120.1° |
| N13 | C14 | C16 | 118.9° | 120.0° |
| C14 | N13 | C12 | 129.2° | 125.7° |
| C14 | N13 | C09 | 121.4° | 125.6° |
| O15 | C14 | C16 | 122.8° | 120.0° |
| C14 | C16 | N17 | 110.7° | 109.5° |
| C14 | C16 | C25 | 108.9° | 109.5° |
| C14 | C16 | H161 | 108.5° | 109.5° |
| C10 | C11 | C12 | 105.3° | 101.6° |
| C10 | C11 | O29 | 114.1° | 111.0° |
| C11 | C10 | C09 | 102.2° | 102.9° |
| C10 | C11 | H111 | 111.5° | 111.0° |
| C11 | C10 | H101 | 111.3° | 110.7° |
| C11 | C10 | H102 | 111.3° | 110.7° |
| C12 | C11 | O29 | 101.7° | 111.0° |
| C11 | C12 | N13 | 102.9° | 104.8° |
| C12 | C11 | H111 | 111.7° | 111.0° |
| C11 | C12 | H121 | 111.1° | 110.4° |
| C11 | C12 | H122 | 111.1° | 110.3° |
| C11 | O29 | C30 | 118.2° | 117.0° |
| O29 | C11 | H111 | 112.0° | 110.9° |
| C10 | C09 | C07 | 113.9° | 109.9° |
| C10 | C09 | N13 | 105.0° | 107.3° |
| C09 | C10 | H101 | 111.2° | 110.8° |
| C09 | C10 | H102 | 111.3° | 110.7° |
| C10 | C09 | H091 | 110.5° | 109.9° |
| C12 | N13 | C09 | 109.4° | 108.7° |
| N13 | C12 | H121 | 111.1° | 110.3° |
| N13 | C12 | H122 | 111.1° | 110.3° |
| C01 | C02 | C03 | 116.6° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C02 | C01 | H012 | 109.5° | 109.4° |
| C02 | C01 | H1 | 109.5° | 109.5° |
| C01 | C02 | H2 | 107.7° | 109.5° |
| C01 | C02 | H3 | 107.7° | 109.5° |
| C02 | C03 | C04 | 110.7° | 117.5° |
| C02 | C03 | C05 | 116.2° | 117.4° |
| C03 | C02 | H2 | 107.7° | 109.5° |
| C03 | C02 | H3 | 107.6° | 109.5° |
| C02 | C03 | H031 | 119.5° | 115.5° |
| C04 | C03 | C05 | 61.0° | 60.0° |
| C03 | C04 | C05 | 60.3° | 60.0° |
| C04 | C03 | H031 | 118.1° | 117.6° |
| C03 | C04 | H041 | 119.9° | 117.5° |
| C03 | C04 | H042 | 119.9° | 117.5° |
| C03 | C05 | C04 | 58.7° | 60.0° |
| C03 | C05 | N06 | 109.5° | 117.5° |
| C03 | C05 | C44 | 123.6° | 117.5° |
| C05 | C03 | H031 | 117.6° | 117.6° |
| C04 | C05 | N06 | 115.2° | 117.5° |
| C04 | C05 | C44 | 110.9° | 117.5° |
| C05 | C04 | H041 | 119.9° | 117.5° |
| C05 | C04 | H042 | 119.9° | 117.5° |
| N06 | C05 | C44 | 122.2° | 115.6° |
| C05 | N06 | C07 | 121.7° | 120.0° |
| C05 | N06 | H061 | 119.1° | 120.1° |
| C05 | C44 | O45 | 122.8° | 120.0° |
| C05 | C44 | N46 | 116.6° | 120.0° |
| N06 | C07 | O08 | 120.9° | 120.0° |
| N06 | C07 | C09 | 112.8° | 120.0° |
| C07 | N06 | H061 | 119.2° | 119.9° |
| O08 | C07 | C09 | 126.2° | 120.0° |
| C07 | C09 | N13 | 106.3° | 109.9° |
| C07 | C09 | H091 | 109.7° | 109.8° |
| N13 | C09 | H091 | 111.2° | 110.0° |
| N17 | C16 | C25 | 111.2° | 109.5° |
| C16 | N17 | C18 | 114.3° | 120.0° |
| N17 | C16 | H161 | 109.7° | 109.5° |
| C16 | N17 | H171 | 122.9° | 120.0° |
| C16 | C25 | C26 | 109.3° | 109.5° |
| C16 | C25 | C27 | 105.4° | 109.5° |
| C16 | C25 | C28 | 109.1° | 109.4° |
| C25 | C16 | H161 | 107.8° | 109.5° |
| N17 | C18 | O19 | 123.1° | 120.0° |
| N17 | C18 | O20 | 106.0° | 120.0° |
| C18 | N17 | H171 | 122.9° | 120.0° |
| O19 | C18 | O20 | 121.6° | 120.0° |
| C18 | O20 | C21 | 119.5° | 117.0° |
| O20 | C21 | C22 | 103.8° | 109.5° |
| O20 | C21 | C23 | 111.4° | 109.5° |
| O20 | C21 | C24 | 112.7° | 109.5° |
| C22 | C21 | C23 | 111.7° | 109.5° |
| C22 | C21 | C24 | 108.4° | 109.4° |
| C21 | C22 | H221 | 109.5° | 109.4° |
| C21 | C22 | H222 | 109.5° | 109.5° |
| C21 | C22 | H223 | 109.5° | 109.5° |
| C23 | C21 | C24 | 108.7° | 109.5° |
| C21 | C23 | H231 | 109.5° | 109.5° |
| C21 | C23 | H232 | 109.5° | 109.5° |
| C21 | C23 | H233 | 109.4° | 109.5° |
| C21 | C24 | H241 | 109.5° | 109.5° |
| C21 | C24 | H242 | 109.5° | 109.5° |
| C21 | C24 | H243 | 109.5° | 109.4° |
| C26 | C25 | C27 | 114.8° | 109.5° |
| C26 | C25 | C28 | 110.9° | 109.5° |
| C25 | C26 | H261 | 109.5° | 109.5° |
| C25 | C26 | H262 | 109.5° | 109.4° |
| C25 | C26 | H263 | 109.5° | 109.4° |
| C27 | C25 | C28 | 107.1° | 109.5° |
| C25 | C27 | H271 | 109.5° | 109.5° |
| C25 | C27 | H272 | 109.5° | 109.5° |
| C25 | C27 | H273 | 109.5° | 109.5° |
| C25 | C28 | H281 | 109.5° | 109.5° |
| C25 | C28 | H282 | 109.4° | 109.4° |
| C25 | C28 | H283 | 109.5° | 109.5° |
| O29 | C30 | C31 | 116.2° | 119.7° |
| O29 | C30 | N41 | 122.1° | 119.7° |
| C31 | C30 | N41 | 121.6° | 120.6° |
| C30 | C31 | C32 | 116.4° | 119.7° |
| C30 | C31 | N34 | 119.5° | 120.6° |
| C30 | N41 | C40 | 118.9° | 119.6° |
| C32 | C31 | N34 | 124.1° | 119.7° |
| C31 | C32 | C33 | 115.9° | 109.4° |
| C31 | C32 | H321 | 107.8° | 109.4° |
| C31 | C32 | H322 | 107.8° | 109.5° |
| C31 | N34 | C35 | 118.3° | 119.8° |
| C33 | C32 | H321 | 107.8° | 109.5° |
| C33 | C32 | H322 | 107.8° | 109.5° |
| C32 | C33 | H331 | 109.5° | 109.5° |
| C32 | C33 | H332 | 109.5° | 109.5° |
| C32 | C33 | H333 | 109.4° | 109.4° |
| N34 | C35 | C36 | 118.4° | 120.9° |
| N34 | C35 | C40 | 121.8° | 119.7° |
| C36 | C35 | C40 | 119.8° | 119.4° |
| C35 | C36 | C37 | 119.1° | 119.8° |
| C35 | C36 | H361 | 120.5° | 120.1° |
| C35 | C40 | C39 | 120.2° | 119.4° |
| C35 | C40 | N41 | 119.7° | 119.7° |
| C36 | C37 | C38 | 122.4° | 120.8° |
| C37 | C36 | H361 | 120.5° | 120.1° |
| C36 | C37 | H371 | 118.8° | 119.5° |
| C37 | C38 | C39 | 118.2° | 120.9° |
| C37 | C38 | O42 | 122.4° | 119.6° |
| C38 | C37 | H371 | 118.8° | 119.6° |
| C39 | C38 | O42 | 119.4° | 119.6° |
| C38 | C39 | C40 | 120.3° | 119.7° |
| C38 | C39 | H391 | 119.8° | 120.1° |
| C38 | O42 | C43 | 120.5° | 117.0° |
| C39 | C40 | N41 | 120.1° | 121.0° |
| C40 | C39 | H391 | 119.9° | 120.2° |
| O42 | C43 | H431 | 109.5° | 109.4° |
| O42 | C43 | H432 | 109.4° | 109.4° |
| O42 | C43 | H433 | 109.5° | 109.5° |
| O45 | C44 | N46 | 120.6° | 120.0° |
| C44 | N46 | S47 | 119.4° | 120.0° |
| C44 | N46 | H461 | 120.3° | 120.0° |
| N46 | S47 | O48 | 101.4° | 104.3° |
| N46 | S47 | O49 | 120.7° | 104.3° |
| N46 | S47 | C50 | 107.0° | 104.5° |
| S47 | N46 | H461 | 120.3° | 120.0° |
| O48 | S47 | O49 | 111.7° | 121.0° |
| O48 | S47 | C50 | 106.3° | 110.6° |
| O49 | S47 | C50 | 108.7° | 110.5° |
| S47 | C50 | C51 | 104.6° | 117.5° |
| S47 | C50 | C52 | 104.1° | 117.5° |
| S47 | C50 | H501 | 120.1° | 115.5° |
| C51 | C50 | C52 | 59.6° | 60.0° |
| C50 | C51 | C52 | 60.7° | 60.0° |
| C51 | C50 | H501 | 126.7° | 117.5° |
| C50 | C51 | H511 | 119.9° | 117.5° |
| C50 | C51 | H512 | 119.9° | 117.5° |
| C50 | C52 | C51 | 59.6° | 59.9° |
| C52 | C50 | H501 | 126.3° | 117.5° |
| C50 | C52 | H521 | 120.1° | 117.5° |
| C50 | C52 | H522 | 120.1° | 117.5° |
| C52 | C51 | H511 | 119.9° | 117.5° |
| C52 | C51 | H512 | 119.9° | 117.5° |
| C51 | C52 | H521 | 120.0° | 117.5° |
| C51 | C52 | H522 | 120.1° | 117.5° |
| H101 | C10 | H102 | 109.5° | 110.8° |
| H121 | C12 | H122 | 109.4° | 110.5° |
| H011 | C01 | H012 | 109.5° | 109.5° |
| H011 | C01 | H1 | 109.5° | 109.5° |
| H012 | C01 | H1 | 109.4° | 109.5° |
| H2 | C02 | H3 | 109.4° | 109.4° |
| H041 | C04 | H042 | 109.5° | 115.6° |
| H221 | C22 | H222 | 109.5° | 109.5° |
| H221 | C22 | H223 | 109.4° | 109.5° |
| H222 | C22 | H223 | 109.4° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H231 | C23 | H233 | 109.5° | 109.5° |
| H232 | C23 | H233 | 109.4° | 109.4° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H241 | C24 | H243 | 109.5° | 109.4° |
| H242 | C24 | H243 | 109.5° | 109.5° |
| H261 | C26 | H262 | 109.5° | 109.5° |
| H261 | C26 | H263 | 109.5° | 109.5° |
| H262 | C26 | H263 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.4° |
| H271 | C27 | H273 | 109.5° | 109.5° |
| H272 | C27 | H273 | 109.4° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.4° |
| H281 | C28 | H283 | 109.5° | 109.5° |
| H282 | C28 | H283 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.4° | 109.5° |
| H331 | C33 | H333 | 109.5° | 109.5° |
| H332 | C33 | H333 | 109.5° | 109.4° |
| H431 | C43 | H432 | 109.5° | 109.5° |
| H431 | C43 | H433 | 109.5° | 109.5° |
| H432 | C43 | H433 | 109.5° | 109.5° |
| H511 | C51 | H512 | 109.5° | 115.6° |
| H521 | C52 | H522 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N13 | C14 | O15 | C16 | 177.9° | 179.7° |
| C14 | N13 | C12 | C11 | 162.4° | 155.8° |
| C14 | N13 | C09 | C10 | 173.8° | 178.9° |
| C14 | N13 | C12 | C09 | 179.8° | 179.9° |
| C14 | N13 | C09 | C07 | 52.8° | 59.4° |
| N13 | C14 | C16 | N17 | 130.2° | 144.8° |
| N13 | C14 | C16 | C25 | 107.3° | 95.2° |
| C14 | N13 | C12 | H121 | 78.6° | 37.0° |
| C14 | N13 | C12 | H122 | 43.4° | 85.4° |
| C14 | N13 | C09 | H091 | 66.6° | 61.6° |
| N13 | C14 | C16 | H161 | 9.8° | 24.9° |
| O15 | C14 | N13 | C12 | 178.4° | 174.7° |
| O15 | C14 | N13 | C09 | 1.8° | 5.4° |
| O15 | C14 | C16 | N17 | 47.6° | 35.4° |
| O15 | C14 | C16 | C25 | 74.8° | 84.6° |
| O15 | C14 | C16 | H161 | 168.1° | 155.4° |
| C16 | C14 | N13 | C12 | 0.5° | 5.6° |
| C16 | C14 | N13 | C09 | 179.8° | 174.3° |
| C14 | C16 | N17 | C25 | 121.2° | 120.0° |
| C14 | C16 | N17 | H161 | 119.7° | 120.0° |
| C14 | C16 | C25 | H161 | 117.5° | 120.0° |
| C14 | C16 | N17 | C18 | 81.4° | 155.0° |
| C14 | C16 | C25 | C26 | 54.9° | 60.5° |
| C14 | C16 | C25 | C27 | 178.8° | 179.5° |
| C14 | C16 | C25 | C28 | 66.5° | 59.5° |
| C14 | C16 | N17 | H171 | 98.6° | 25.0° |
| C10 | C11 | C12 | O29 | 119.2° | 118.1° |
| C10 | C11 | C12 | H111 | 121.1° | 118.1° |
| C10 | C11 | O29 | H111 | 127.8° | 123.9° |
| C11 | C10 | C09 | H101 | 118.8° | 118.3° |
| C11 | C10 | C09 | H102 | 118.9° | 118.3° |
| C10 | C11 | C12 | N13 | 35.3° | 37.0° |
| C11 | C10 | C09 | C07 | 143.0° | 97.3° |
| C11 | C10 | C09 | N13 | 27.1° | 22.2° |
| C10 | C11 | O29 | C30 | 79.1° | 150.0° |
| C11 | C10 | H101 | H102 | 123.4° | 123.2° |
| C10 | C11 | C12 | H121 | 83.6° | 155.8° |
| C10 | C11 | C12 | H122 | 154.3° | 81.8° |
| C11 | C10 | C09 | H091 | 92.9° | 141.8° |
| C12 | C11 | O29 | H111 | 119.4° | 123.9° |
| C12 | C11 | C10 | C09 | 39.0° | 35.5° |
| C11 | C12 | N13 | H121 | 119.0° | 118.8° |
| C11 | C12 | N13 | H122 | 119.0° | 118.8° |
| C11 | C12 | N13 | C09 | 17.8° | 24.1° |
| C12 | C11 | O29 | C30 | 168.1° | 97.8° |
| C12 | C11 | C10 | H101 | 157.8° | 82.9° |
| C12 | C11 | C10 | H102 | 79.8° | 153.9° |
| C11 | C12 | H121 | H122 | 123.1° | 122.3° |
| O29 | C11 | C10 | C09 | 71.6° | 153.6° |
| O29 | C11 | C12 | N13 | 83.9° | 155.1° |
| C11 | O29 | C30 | C31 | 158.9° | 180.0° |
| C11 | O29 | C30 | N41 | 23.5° | 0.3° |
| O29 | C11 | C10 | H101 | 47.2° | 35.2° |
| O29 | C11 | C10 | H102 | 169.6° | 88.0° |
| O29 | C11 | C12 | H121 | 157.1° | 86.1° |
| O29 | C11 | C12 | H122 | 35.0° | 36.3° |
| C10 | C09 | N13 | C12 | 6.0° | 1.0° |
| C10 | C09 | C07 | N06 | 111.3° | 61.4° |
| C10 | C09 | C07 | O08 | 63.8° | 118.5° |
| C10 | C09 | C07 | N13 | 115.2° | 117.9° |
| C10 | C09 | C07 | H091 | 124.4° | 121.0° |
| C10 | C09 | N13 | H091 | 119.6° | 119.5° |
| C09 | C10 | C11 | H111 | 160.3° | 82.6° |
| C09 | C10 | H101 | H102 | 123.3° | 123.3° |
| C12 | N13 | C09 | C07 | 127.0° | 120.5° |
| N13 | C12 | C11 | H111 | 156.5° | 81.1° |
| N13 | C12 | H121 | H122 | 123.0° | 122.3° |
| C12 | N13 | C09 | H091 | 113.6° | 118.5° |
| C01 | C02 | C03 | H2 | 121.1° | 120.0° |
| C01 | C02 | C03 | H3 | 121.0° | 120.0° |
| C01 | C02 | C03 | C04 | 173.7° | 116.4° |
| C01 | C02 | C03 | C05 | 119.4° | 175.0° |
| C02 | C01 | H011 | H012 | 120.0° | 120.0° |
| C02 | C01 | H011 | H1 | 120.0° | 120.0° |
| C02 | C01 | H012 | H1 | 120.0° | 120.0° |
| C01 | C02 | H2 | H3 | 116.8° | 120.0° |
| C01 | C02 | C03 | H031 | 31.3° | 29.3° |
| C02 | C03 | C04 | C05 | 109.3° | 107.4° |
| C02 | C03 | C04 | H031 | 143.0° | 145.0° |
| C02 | C03 | C05 | H031 | 151.3° | 145.0° |
| C02 | C03 | C05 | N06 | 151.6° | 145.0° |
| C02 | C03 | C05 | C44 | 4.6° | 0.0° |
| C03 | C02 | C01 | H011 | 180.0° | 60.0° |
| C03 | C02 | C01 | H012 | 60.0° | 60.0° |
| C03 | C02 | C01 | H1 | 60.0° | 180.0° |
| C03 | C02 | H2 | H3 | 116.7° | 120.0° |
| C02 | C03 | C04 | H041 | 0.2° | 0.0° |
| C02 | C03 | C04 | H042 | 141.1° | 145.1° |
| C04 | C03 | C05 | H031 | 108.5° | 107.6° |
| C03 | C04 | C05 | H041 | 109.6° | 107.6° |
| C03 | C04 | C05 | H042 | 109.5° | 107.5° |
| C04 | C03 | C05 | N06 | 108.2° | 107.5° |
| C04 | C03 | C05 | C44 | 95.6° | 107.5° |
| C04 | C03 | C02 | H2 | 65.2° | 123.6° |
| C04 | C03 | C02 | H3 | 52.6° | 3.6° |
| C03 | C04 | H041 | H042 | 144.6° | 145.7° |
| C03 | C05 | N06 | C44 | 156.6° | 145.7° |
| C03 | C05 | N06 | C07 | 77.7° | 65.1° |
| C03 | C05 | C44 | O45 | 31.3° | 27.9° |
| C03 | C05 | C44 | N46 | 147.9° | 152.2° |
| C05 | C03 | C02 | H2 | 1.7° | 55.0° |
| C05 | C03 | C02 | H3 | 119.6° | 65.0° |
| C03 | C05 | N06 | H061 | 102.2° | 114.9° |
| C04 | C05 | N06 | C44 | 139.6° | 145.7° |
| C04 | C05 | N06 | C07 | 141.5° | 133.6° |
| C04 | C05 | C44 | O45 | 34.2° | 40.7° |
| C04 | C05 | C44 | N46 | 146.5° | 139.2° |
| C05 | C04 | H041 | H042 | 144.6° | 145.6° |
| C04 | C05 | N06 | H061 | 38.5° | 46.3° |
| C05 | N06 | C07 | H061 | 180.0° | 179.9° |
| C05 | N06 | C07 | O08 | 12.9° | 5.0° |
| C05 | N06 | C07 | C09 | 171.7° | 175.1° |
| N06 | C05 | C44 | O45 | 175.4° | 173.6° |
| N06 | C05 | C44 | N46 | 5.4° | 6.5° |
| N06 | C05 | C03 | H031 | 0.3° | 0.1° |
| N06 | C05 | C04 | H041 | 152.0° | 145.0° |
| N06 | C05 | C04 | H042 | 11.1° | 0.0° |
| C44 | C05 | N06 | C07 | 78.9° | 80.7° |
| C05 | C44 | O45 | N46 | 179.2° | 180.0° |
| C05 | C44 | N46 | S47 | 178.8° | 175.0° |
| C44 | C05 | C03 | H031 | 155.9° | 145.0° |
| C44 | C05 | C04 | H041 | 7.9° | 0.1° |
| C44 | C05 | C04 | H042 | 133.0° | 145.0° |
| C44 | C05 | N06 | H061 | 101.2° | 99.4° |
| C05 | C44 | N46 | H461 | 1.2° | 5.0° |
| N06 | C07 | O08 | C09 | 174.7° | 179.9° |
| N06 | C07 | C09 | N13 | 133.5° | 179.2° |
| N06 | C07 | C09 | H091 | 13.1° | 59.6° |
| O08 | C07 | C09 | N13 | 51.4° | 0.7° |
| O08 | C07 | N06 | H061 | 167.1° | 175.0° |
| O08 | C07 | C09 | H091 | 171.8° | 120.5° |
| C07 | C09 | N13 | H091 | 119.4° | 121.0° |
| C07 | C09 | C10 | H101 | 98.1° | 144.4° |
| C07 | C09 | C10 | H102 | 24.2° | 21.1° |
| C09 | C07 | N06 | H061 | 8.3° | 4.8° |
| N13 | C09 | C10 | H101 | 146.0° | 96.1° |
| N13 | C09 | C10 | H102 | 91.7° | 140.5° |
| C09 | N13 | C12 | H121 | 101.1° | 142.9° |
| C09 | N13 | C12 | H122 | 136.8° | 94.7° |
| N17 | C16 | C25 | H161 | 120.3° | 120.0° |
| C16 | N17 | C18 | H171 | 180.0° | 180.0° |
| C16 | N17 | C18 | O19 | 34.2° | 0.0° |
| C16 | N17 | C18 | O20 | 179.1° | 180.0° |
| N17 | C16 | C25 | C26 | 177.1° | 179.5° |
| N17 | C16 | C25 | C27 | 59.0° | 59.5° |
| N17 | C16 | C25 | C28 | 55.7° | 60.4° |
| C25 | C16 | N17 | C18 | 157.4° | 85.0° |
| C16 | C25 | C26 | C27 | 118.1° | 120.0° |
| C16 | C25 | C26 | C28 | 120.3° | 120.0° |
| C16 | C25 | C27 | C28 | 116.0° | 120.0° |
| C25 | C16 | N17 | H171 | 22.6° | 95.0° |
| C16 | C25 | C26 | H261 | 180.0° | 64.8° |
| C16 | C25 | C26 | H262 | 60.0° | 175.3° |
| C16 | C25 | C26 | H263 | 60.0° | 55.3° |
| C16 | C25 | C27 | H271 | 180.0° | 60.0° |
| C16 | C25 | C27 | H272 | 60.0° | 180.0° |
| C16 | C25 | C27 | H273 | 60.0° | 60.0° |
| C16 | C25 | C28 | H281 | 180.0° | 60.1° |
| C16 | C25 | C28 | H282 | 60.0° | 180.0° |
| C16 | C25 | C28 | H283 | 60.0° | 60.0° |
| N17 | C18 | O19 | O20 | 141.8° | 180.0° |
| N17 | C18 | O20 | C21 | 176.2° | 180.0° |
| C18 | N17 | C16 | H161 | 38.3° | 35.0° |
| O19 | C18 | O20 | C21 | 28.8° | 0.0° |
| O19 | C18 | N17 | H171 | 145.9° | 180.0° |
| C18 | O20 | C21 | C22 | 166.0° | 60.0° |
| C18 | O20 | C21 | C23 | 73.6° | 180.0° |
| C18 | O20 | C21 | C24 | 48.8° | 60.0° |
| O20 | C18 | N17 | H171 | 0.9° | 0.0° |
| O20 | C21 | C22 | C23 | 120.2° | 120.0° |
| O20 | C21 | C22 | C24 | 120.1° | 120.0° |
| O20 | C21 | C23 | C24 | 124.8° | 120.0° |
| O20 | C21 | C22 | H221 | 180.0° | 60.0° |
| O20 | C21 | C22 | H222 | 60.0° | 180.0° |
| O20 | C21 | C22 | H223 | 60.0° | 60.0° |
| O20 | C21 | C23 | H231 | 180.0° | 60.0° |
| O20 | C21 | C23 | H232 | 60.0° | 180.0° |
| O20 | C21 | C23 | H233 | 60.0° | 60.1° |
| O20 | C21 | C24 | H241 | 180.0° | 60.0° |
| O20 | C21 | C24 | H242 | 60.0° | 180.0° |
| O20 | C21 | C24 | H243 | 60.0° | 60.0° |
| C22 | C21 | C23 | C24 | 119.6° | 120.0° |
| C21 | C22 | H221 | H222 | 120.0° | 120.0° |
| C21 | C22 | H221 | H223 | 120.0° | 120.0° |
| C21 | C22 | H222 | H223 | 120.0° | 120.0° |
| C22 | C21 | C23 | H231 | 64.4° | 180.0° |
| C22 | C21 | C23 | H232 | 55.7° | 59.9° |
| C22 | C21 | C23 | H233 | 175.6° | 60.0° |
| C22 | C21 | C24 | H241 | 65.6° | 60.0° |
| C22 | C21 | C24 | H242 | 174.3° | 60.0° |
| C22 | C21 | C24 | H243 | 54.4° | 180.0° |
| C23 | C21 | C22 | H221 | 59.8° | 60.0° |
| C23 | C21 | C22 | H222 | 179.8° | 60.0° |
| C23 | C21 | C22 | H223 | 60.2° | 180.0° |
| C21 | C23 | H231 | H232 | 120.0° | 120.0° |
| C21 | C23 | H231 | H233 | 120.0° | 120.0° |
| C21 | C23 | H232 | H233 | 119.9° | 119.9° |
| C23 | C21 | C24 | H241 | 56.0° | 180.0° |
| C23 | C21 | C24 | H242 | 64.0° | 60.0° |
| C23 | C21 | C24 | H243 | 176.0° | 60.0° |
| C24 | C21 | C22 | H221 | 59.9° | 180.0° |
| C24 | C21 | C22 | H222 | 60.1° | 60.0° |
| C24 | C21 | C22 | H223 | 179.9° | 60.0° |
| C24 | C21 | C23 | H231 | 55.2° | 60.0° |
| C24 | C21 | C23 | H232 | 175.3° | 60.0° |
| C24 | C21 | C23 | H233 | 64.8° | 179.9° |
| C21 | C24 | H241 | H242 | 120.0° | 120.1° |
| C21 | C24 | H241 | H243 | 120.0° | 120.0° |
| C21 | C24 | H242 | H243 | 120.0° | 120.0° |
| C26 | C25 | C27 | C28 | 123.6° | 120.0° |
| C26 | C25 | C16 | H161 | 62.6° | 59.5° |
| C25 | C26 | H261 | H262 | 120.0° | 120.0° |
| C25 | C26 | H261 | H263 | 120.0° | 120.0° |
| C25 | C26 | H262 | H263 | 120.0° | 120.0° |
| C26 | C25 | C27 | H271 | 59.7° | 180.0° |
| C26 | C25 | C27 | H272 | 60.4° | 60.0° |
| C26 | C25 | C27 | H273 | 179.7° | 60.0° |
| C26 | C25 | C28 | H281 | 59.6° | 59.9° |
| C26 | C25 | C28 | H282 | 179.6° | 60.0° |
| C26 | C25 | C28 | H283 | 60.4° | 180.0° |
| C27 | C25 | C16 | H161 | 61.3° | 60.5° |
| C27 | C25 | C26 | H261 | 61.9° | 55.2° |
| C27 | C25 | C26 | H262 | 178.1° | 64.8° |
| C27 | C25 | C26 | H263 | 58.1° | 175.2° |
| C25 | C27 | H271 | H272 | 120.0° | 120.0° |
| C25 | C27 | H271 | H273 | 120.0° | 120.0° |
| C25 | C27 | H272 | H273 | 120.0° | 120.0° |
| C27 | C25 | C28 | H281 | 66.4° | 180.0° |
| C27 | C25 | C28 | H282 | 53.6° | 60.1° |
| C27 | C25 | C28 | H283 | 173.6° | 60.0° |
| C28 | C25 | C16 | H161 | 176.0° | 179.6° |
| C28 | C25 | C26 | H261 | 59.7° | 175.2° |
| C28 | C25 | C26 | H262 | 60.3° | 55.3° |
| C28 | C25 | C26 | H263 | 179.7° | 64.7° |
| C28 | C25 | C27 | H271 | 64.0° | 59.9° |
| C28 | C25 | C27 | H272 | 176.0° | 60.0° |
| C28 | C25 | C27 | H273 | 56.1° | 180.0° |
| C25 | C28 | H281 | H282 | 120.0° | 119.9° |
| C25 | C28 | H281 | H283 | 120.0° | 120.1° |
| C25 | C28 | H282 | H283 | 120.0° | 120.0° |
| O29 | C30 | C31 | N41 | 177.7° | 179.7° |
| O29 | C30 | C31 | C32 | 2.5° | 0.1° |
| O29 | C30 | C31 | N34 | 176.7° | 180.0° |
| O29 | C30 | N41 | C40 | 177.7° | 179.8° |
| C30 | O29 | C11 | H111 | 48.8° | 26.1° |
| C30 | C31 | C32 | N34 | 179.2° | 179.9° |
| C30 | C31 | C32 | C33 | 155.1° | 90.1° |
| C30 | C31 | N34 | C35 | 2.8° | 0.1° |
| C31 | C30 | N41 | C40 | 0.1° | 0.5° |
| C30 | C31 | C32 | H321 | 83.9° | 150.0° |
| C30 | C31 | C32 | H322 | 34.2° | 30.0° |
| N41 | C30 | C31 | C32 | 179.8° | 179.8° |
| N41 | C30 | C31 | N34 | 1.0° | 0.3° |
| C30 | N41 | C40 | C35 | 0.7° | 0.6° |
| C30 | N41 | C40 | C39 | 178.7° | 179.7° |
| C31 | C32 | C33 | H321 | 121.0° | 119.9° |
| C31 | C32 | C33 | H322 | 120.9° | 120.0° |
| C32 | C31 | N34 | C35 | 178.0° | 180.0° |
| C31 | C32 | H321 | H322 | 117.1° | 120.0° |
| C31 | C32 | C33 | H331 | 180.0° | 60.1° |
| C31 | C32 | C33 | H332 | 60.0° | 60.0° |
| C31 | C32 | C33 | H333 | 60.0° | 180.0° |
| N34 | C31 | C32 | C33 | 24.1° | 90.0° |
| C31 | N34 | C35 | C36 | 178.7° | 180.0° |
| C31 | N34 | C35 | C40 | 3.7° | 0.1° |
| N34 | C31 | C32 | H321 | 96.9° | 29.9° |
| N34 | C31 | C32 | H322 | 145.0° | 150.0° |
| C33 | C32 | H321 | H322 | 117.0° | 120.1° |
| C32 | C33 | H331 | H332 | 120.0° | 120.1° |
| C32 | C33 | H331 | H333 | 120.0° | 119.9° |
| C32 | C33 | H332 | H333 | 120.0° | 119.9° |
| N34 | C35 | C36 | C40 | 177.6° | 180.0° |
| N34 | C35 | C36 | C37 | 178.7° | 180.0° |
| N34 | C35 | C40 | C39 | 176.7° | 180.0° |
| N34 | C35 | C40 | N41 | 2.7° | 0.3° |
| N34 | C35 | C36 | H361 | 1.3° | 0.0° |
| C35 | C36 | C37 | H361 | 180.0° | 180.0° |
| C35 | C36 | C37 | C38 | 2.6° | 0.0° |
| C36 | C35 | C40 | C39 | 0.8° | 0.0° |
| C36 | C35 | C40 | N41 | 179.8° | 179.7° |
| C35 | C36 | C37 | H371 | 177.4° | 180.0° |
| C40 | C35 | C36 | C37 | 1.0° | 0.0° |
| C35 | C40 | C39 | C38 | 1.2° | 0.0° |
| C35 | C40 | C39 | N41 | 179.4° | 179.7° |
| C40 | C35 | C36 | H361 | 178.9° | 180.0° |
| C35 | C40 | C39 | H391 | 178.8° | 180.0° |
| C36 | C37 | C38 | H371 | 180.0° | 179.9° |
| C36 | C37 | C38 | C39 | 2.2° | 0.1° |
| C36 | C37 | C38 | O42 | 179.8° | 180.0° |
| C37 | C38 | C39 | O42 | 177.7° | 180.0° |
| C37 | C38 | C39 | C40 | 0.3° | 0.0° |
| C37 | C38 | O42 | C43 | 179.7° | 0.1° |
| C38 | C37 | C36 | H361 | 177.4° | 180.0° |
| C37 | C38 | C39 | H391 | 179.7° | 180.0° |
| C38 | C39 | C40 | H391 | 180.0° | 180.0° |
| C38 | C39 | C40 | N41 | 179.4° | 179.7° |
| C39 | C38 | O42 | C43 | 2.0° | 180.0° |
| C39 | C38 | C37 | H371 | 177.8° | 180.0° |
| O42 | C38 | C39 | C40 | 178.0° | 180.0° |
| O42 | C38 | C37 | H371 | 0.1° | 0.0° |
| O42 | C38 | C39 | H391 | 2.0° | 0.0° |
| C38 | O42 | C43 | H431 | 180.0° | 180.0° |
| C38 | O42 | C43 | H432 | 60.0° | 60.1° |
| C38 | O42 | C43 | H433 | 60.0° | 59.9° |
| N41 | C40 | C39 | H391 | 0.6° | 0.3° |
| O42 | C43 | H431 | H432 | 120.0° | 119.9° |
| O42 | C43 | H431 | H433 | 120.0° | 120.0° |
| O42 | C43 | H432 | H433 | 120.0° | 120.0° |
| O45 | C44 | N46 | S47 | 2.0° | 5.0° |
| O45 | C44 | N46 | H461 | 178.0° | 175.0° |
| C44 | N46 | S47 | H461 | 180.0° | 180.0° |
| C44 | N46 | S47 | O48 | 67.3° | 178.9° |
| C44 | N46 | S47 | O49 | 56.7° | 51.1° |
| C44 | N46 | S47 | C50 | 178.5° | 65.0° |
| N46 | S47 | O48 | O49 | 129.9° | 116.7° |
| N46 | S47 | O48 | C50 | 111.7° | 111.8° |
| N46 | S47 | O49 | C50 | 124.0° | 111.7° |
| N46 | S47 | C50 | C51 | 160.9° | 175.0° |
| N46 | S47 | C50 | C52 | 99.2° | 106.3° |
| N46 | S47 | C50 | H501 | 49.2° | 39.3° |
| O48 | S47 | O49 | C50 | 117.0° | 131.5° |
| O48 | S47 | C50 | C51 | 91.3° | 73.3° |
| O48 | S47 | C50 | C52 | 153.0° | 142.0° |
| O48 | S47 | N46 | H461 | 112.7° | 1.1° |
| O48 | S47 | C50 | H501 | 58.6° | 72.3° |
| O49 | S47 | C50 | C51 | 29.1° | 63.4° |
| O49 | S47 | C50 | C52 | 32.6° | 5.3° |
| O49 | S47 | N46 | H461 | 123.3° | 128.9° |
| O49 | S47 | C50 | H501 | 179.0° | 150.9° |
| S47 | C50 | C51 | C52 | 98.0° | 107.5° |
| S47 | C50 | C51 | H501 | 147.2° | 145.0° |
| S47 | C50 | C52 | H501 | 145.7° | 145.0° |
| C50 | S47 | N46 | H461 | 1.5° | 115.0° |
| S47 | C50 | C51 | H511 | 152.3° | 145.0° |
| S47 | C50 | C51 | H512 | 11.7° | 0.0° |
| S47 | C50 | C52 | H521 | 10.5° | 0.1° |
| S47 | C50 | C52 | H522 | 151.8° | 145.0° |
| C51 | C50 | C52 | H501 | 115.5° | 107.5° |
| C50 | C51 | C52 | H511 | 109.7° | 107.5° |
| C50 | C51 | C52 | H512 | 109.6° | 107.5° |
| C50 | C51 | H511 | H512 | 144.3° | 145.7° |
| C51 | C50 | C52 | H521 | 109.3° | 107.5° |
| C51 | C50 | C52 | H522 | 109.4° | 107.5° |
| C50 | C52 | H521 | H522 | 145.0° | 145.7° |
| C52 | C51 | H511 | H512 | 144.4° | 145.7° |
| C51 | C52 | H521 | H522 | 144.9° | 145.8° |
| H111 | C11 | C10 | H101 | 80.9° | 159.1° |
| H111 | C11 | C10 | H102 | 41.5° | 35.8° |
| H111 | C11 | C12 | H121 | 37.5° | 37.7° |
| H111 | C11 | C12 | H122 | 84.6° | 160.1° |
| H101 | C10 | C09 | H091 | 25.9° | 23.5° |
| H102 | C10 | C09 | H091 | 148.2° | 99.9° |
| H011 | C01 | H012 | H1 | 120.0° | 120.1° |
| H011 | C01 | C02 | H2 | 59.0° | 60.0° |
| H011 | C01 | C02 | H3 | 59.0° | 180.0° |
| H012 | C01 | C02 | H2 | 61.1° | 180.0° |
| H012 | C01 | C02 | H3 | 179.0° | 60.0° |
| H1 | C01 | C02 | H2 | 179.0° | 60.0° |
| H1 | C01 | C02 | H3 | 61.1° | 60.0° |
| H2 | C02 | C03 | H031 | 152.4° | 90.7° |
| H3 | C02 | C03 | H031 | 89.7° | 149.3° |
| H031 | C03 | C04 | H041 | 142.7° | 145.0° |
| H031 | C03 | C04 | H042 | 1.8° | 0.0° |
| H161 | C16 | N17 | H171 | 141.7° | 145.0° |
| H221 | C22 | H222 | H223 | 119.9° | 120.0° |
| H231 | C23 | H232 | H233 | 120.0° | 120.0° |
| H241 | C24 | H242 | H243 | 120.0° | 119.9° |
| H261 | C26 | H262 | H263 | 120.0° | 120.1° |
| H271 | C27 | H272 | H273 | 120.0° | 119.9° |
| H281 | C28 | H282 | H283 | 120.0° | 120.0° |
| H321 | C32 | C33 | H331 | 59.1° | 180.0° |
| H321 | C32 | C33 | H332 | 179.1° | 59.9° |
| H321 | C32 | C33 | H333 | 60.9° | 60.1° |
| H322 | C32 | C33 | H331 | 59.0° | 59.9° |
| H322 | C32 | C33 | H332 | 61.0° | 180.0° |
| H322 | C32 | C33 | H333 | 179.1° | 60.0° |
| H331 | C33 | H332 | H333 | 120.0° | 120.0° |
| H361 | C36 | C37 | H371 | 2.6° | 0.0° |
| H431 | C43 | H432 | H433 | 120.0° | 120.1° |
| H501 | C50 | C51 | H511 | 5.1° | 0.0° |
| H501 | C50 | C51 | H512 | 135.6° | 145.0° |
| H501 | C50 | C52 | H521 | 135.2° | 145.0° |
| H501 | C50 | C52 | H522 | 6.1° | 0.0° |
| H511 | C51 | C52 | H521 | 140.9° | 145.0° |
| H511 | C51 | C52 | H522 | 0.3° | 0.1° |
| H512 | C51 | C52 | H521 | 0.3° | 0.0° |
| H512 | C51 | C52 | H522 | 141.0° | 145.1° |
