ZK4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C11 | sing | 1.50Å | 1.53Å | |
| C10 | N05 | sing | 1.35Å | 1.47Å | |
| C10 | O12 | doub | 1.21Å | 1.19Å | |
| C17 | C54 | sing | 1.53Å | 1.37Å | |
| C17 | C55 | sing | 1.53Å | 1.52Å | |
| C17 | O15 | sing | 1.45Å | 1.43Å | |
| C21 | C26 | doub | 1.40Å | 1.55Å | Aromatic |
| C21 | N22 | sing | 1.32Å | 1.46Å | Aromatic |
| C21 | O20 | sing | 1.36Å | 1.41Å | |
| C24 | C23 | sing | 1.42Å | 1.52Å | Aromatic |
| C24 | C30 | sing | 1.41Å | 1.56Å | Aromatic |
| C24 | N25 | doub | 1.34Å | 1.49Å | Aromatic |
| C26 | C33 | sing | 1.51Å | 1.55Å | |
| C26 | N25 | sing | 1.31Å | 1.46Å | Aromatic |
| C28 | C27 | doub | 1.37Å | 1.54Å | Aromatic |
| C28 | C29 | sing | 1.40Å | 1.54Å | Aromatic |
| C28 | O31 | sing | 1.36Å | 1.41Å | |
| C01 | C02 | sing | 1.53Å | 1.69Å | |
| C01 | C06 | sing | 1.51Å | 1.50Å | |
| C01 | N05 | sing | 1.46Å | 1.37Å | |
| C02 | C03 | sing | 1.54Å | 1.31Å | |
| C03 | C04 | sing | 1.53Å | 1.62Å | |
| C03 | O20 | sing | 1.43Å | 1.45Å | |
| C04 | N05 | sing | 1.46Å | 1.60Å | |
| C06 | N08 | sing | 1.37Å | 1.48Å | |
| C06 | O07 | doub | 1.21Å | 1.19Å | |
| C09 | C34 | sing | 1.50Å | 1.56Å | |
| C09 | C44 | sing | 1.53Å | 1.55Å | |
| C09 | C49 | sing | 1.53Å | 1.52Å | |
| C09 | N08 | sing | 1.48Å | 1.49Å | |
| C11 | C18 | sing | 1.53Å | 1.52Å | |
| C11 | N13 | sing | 1.46Å | 1.46Å | |
| C14 | N13 | sing | 1.35Å | 1.47Å | |
| C14 | O15 | sing | 1.35Å | 1.42Å | |
| C14 | O16 | doub | 1.22Å | 1.19Å | |
| C18 | C19 | sing | 1.53Å | 1.56Å | |
| C19 | C50 | sing | 1.53Å | 1.55Å | |
| C23 | C27 | sing | 1.40Å | 1.55Å | Aromatic |
| C23 | N22 | doub | 1.34Å | 1.48Å | Aromatic |
| C29 | C30 | doub | 1.36Å | 1.54Å | Aromatic |
| C32 | O31 | sing | 1.43Å | 1.41Å | |
| C34 | N35 | sing | 1.35Å | 1.47Å | |
| C34 | O36 | doub | 1.21Å | 1.20Å | |
| C40 | C41 | sing | 1.53Å | 1.53Å | |
| C40 | C42 | sing | 1.53Å | 1.53Å | |
| C40 | C43 | sing | 1.53Å | 1.54Å | |
| C40 | S37 | sing | 1.81Å | 1.84Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C44 | C45 | sing | 1.51Å | 1.56Å | |
| C44 | C49 | sing | 1.53Å | 1.54Å | |
| C45 | C46 | doub | 1.31Å | 1.35Å | |
| C46 | C47 | sing | 1.50Å | 1.54Å | |
| C47 | C48 | sing | 1.53Å | 1.56Å | |
| C48 | C50 | sing | 1.53Å | 1.56Å | |
| C51 | C52 | sing | 1.54Å | 1.36Å | |
| C52 | C53 | sing | 1.54Å | 1.62Å | |
| C53 | C54 | sing | 1.54Å | 1.63Å | |
| C55 | F56 | sing | 1.40Å | 1.36Å | |
| C55 | F57 | sing | 1.40Å | 1.37Å | |
| C55 | F58 | sing | 1.40Å | 1.37Å | |
| N35 | S37 | sing | 1.66Å | 1.72Å | |
| O38 | S37 | doub | 1.42Å | 1.47Å | |
| O39 | S37 | doub | 1.42Å | 1.47Å | |
| C17 | H1 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H022 | 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 | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C43 | H432 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| C43 | H433 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C45 | H451 | sing | 1.08Å | 1.08Å | |
| C46 | H461 | sing | 1.08Å | 1.08Å | |
| C47 | H472 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C53 | H531 | sing | 1.09Å | 1.10Å | |
| C53 | H532 | sing | 1.09Å | 1.10Å | |
| C54 | H541 | sing | 1.09Å | 1.10Å | |
| N08 | H081 | sing | 0.97Å | 1.00Å | |
| N13 | H131 | sing | 0.97Å | 1.00Å | |
| N35 | H351 | sing | 0.97Å | 1.00Å | |
| C51 | C1 | sing | 1.55Å | 29.56Å | |
| C1 | C54 | sing | 1.55Å | 28.13Å | |
| C1 | H2 | sing | 1.09Å | 0.00Å | |
| C1 | H3 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C10 | N05 | 119.5° | 120.6° |
| C11 | C10 | O12 | 121.0° | 119.7° |
| C10 | C11 | C18 | 108.9° | 110.0° |
| C10 | C11 | N13 | 110.1° | 109.4° |
| C10 | C11 | H111 | 109.6° | 109.3° |
| N05 | C10 | O12 | 119.5° | 119.6° |
| C10 | N05 | C01 | 127.1° | 125.1° |
| C10 | N05 | C04 | 127.8° | 125.9° |
| C54 | C17 | C55 | 112.4° | 109.4° |
| C54 | C17 | O15 | 111.9° | 109.5° |
| C17 | C54 | C53 | 105.7° | 110.4° |
| C54 | C17 | H1 | 107.5° | 109.5° |
| C17 | C54 | H541 | 103.6° | 110.4° |
| C17 | C54 | C1 | 164.1° | 110.5° |
| C55 | C17 | O15 | 112.2° | 109.4° |
| C17 | C55 | F56 | 109.1° | 109.4° |
| C17 | C55 | F57 | 110.2° | 109.5° |
| C17 | C55 | F58 | 110.8° | 109.5° |
| C55 | C17 | H1 | 105.6° | 109.5° |
| C17 | O15 | C14 | 119.8° | 117.0° |
| O15 | C17 | H1 | 106.7° | 109.5° |
| C26 | C21 | N22 | 120.2° | 120.5° |
| C26 | C21 | O20 | 120.0° | 119.7° |
| C21 | C26 | C33 | 120.4° | 119.7° |
| C21 | C26 | N25 | 119.8° | 120.6° |
| N22 | C21 | O20 | 119.8° | 119.7° |
| C21 | N22 | C23 | 119.5° | 119.7° |
| C21 | O20 | C03 | 113.4° | 117.0° |
| C23 | C24 | C30 | 119.5° | 119.4° |
| C23 | C24 | N25 | 119.8° | 119.6° |
| C24 | C23 | C27 | 120.6° | 119.4° |
| C24 | C23 | N22 | 120.9° | 119.7° |
| C30 | C24 | N25 | 120.6° | 120.9° |
| C24 | C30 | C29 | 120.0° | 119.8° |
| C24 | C30 | H301 | 120.0° | 120.1° |
| C24 | N25 | C26 | 119.7° | 119.9° |
| C33 | C26 | N25 | 119.8° | 119.7° |
| C26 | C33 | H333 | 109.5° | 109.5° |
| C26 | C33 | H331 | 109.5° | 109.5° |
| C26 | C33 | H332 | 109.5° | 109.5° |
| C27 | C28 | C29 | 119.7° | 120.8° |
| C27 | C28 | O31 | 119.8° | 119.6° |
| C28 | C27 | C23 | 120.1° | 119.7° |
| C28 | C27 | H271 | 120.0° | 120.1° |
| C29 | C28 | O31 | 120.5° | 119.6° |
| C28 | C29 | C30 | 120.2° | 120.9° |
| C28 | C29 | H291 | 119.9° | 119.5° |
| C28 | O31 | C32 | 115.1° | 117.0° |
| C02 | C01 | C06 | 117.2° | 109.9° |
| C02 | C01 | N05 | 106.3° | 107.8° |
| C01 | C02 | C03 | 102.1° | 106.0° |
| C02 | C01 | H011 | 106.8° | 110.1° |
| C01 | C02 | H021 | 111.3° | 110.1° |
| C01 | C02 | H022 | 111.3° | 110.1° |
| C06 | C01 | N05 | 106.6° | 109.1° |
| C01 | C06 | N08 | 114.9° | 118.7° |
| C01 | C06 | O07 | 122.4° | 120.7° |
| C06 | C01 | H011 | 109.0° | 109.8° |
| C01 | N05 | C04 | 105.0° | 109.0° |
| N05 | C01 | H011 | 110.9° | 110.1° |
| C02 | C03 | C04 | 100.4° | 106.1° |
| C02 | C03 | O20 | 112.1° | 110.2° |
| C03 | C02 | H021 | 111.3° | 110.2° |
| C03 | C02 | H022 | 111.3° | 110.2° |
| C02 | C03 | H031 | 115.2° | 110.1° |
| C04 | C03 | O20 | 105.3° | 110.1° |
| C03 | C04 | N05 | 99.8° | 107.5° |
| C04 | C03 | H031 | 110.1° | 110.2° |
| C03 | C04 | H041 | 111.8° | 109.8° |
| C03 | C04 | H042 | 111.8° | 109.8° |
| O20 | C03 | H031 | 112.6° | 110.1° |
| N05 | C04 | H041 | 111.9° | 109.9° |
| N05 | C04 | H042 | 111.8° | 109.8° |
| N08 | C06 | O07 | 122.7° | 120.6° |
| C06 | N08 | C09 | 127.2° | 113.7° |
| C06 | N08 | H081 | 116.4° | 123.2° |
| C34 | C09 | C44 | 108.0° | 118.1° |
| C34 | C09 | C49 | 110.0° | 118.3° |
| C34 | C09 | N08 | 117.5° | 115.2° |
| C09 | C34 | N35 | 122.9° | 120.0° |
| C09 | C34 | O36 | 119.2° | 120.0° |
| C44 | C09 | C49 | 60.4° | 60.0° |
| C44 | C09 | N08 | 109.2° | 116.2° |
| C09 | C44 | C45 | 136.6° | 117.4° |
| C09 | C44 | C49 | 59.1° | 59.9° |
| C09 | C44 | H441 | 109.9° | 117.4° |
| C49 | C09 | N08 | 131.9° | 117.9° |
| C09 | C49 | C44 | 60.5° | 60.1° |
| C09 | C49 | H491 | 119.9° | 117.5° |
| C09 | C49 | H492 | 119.9° | 117.5° |
| C09 | N08 | H081 | 116.4° | 123.1° |
| C18 | C11 | N13 | 107.7° | 109.4° |
| C11 | C18 | C19 | 110.8° | 110.1° |
| C18 | C11 | H111 | 109.7° | 109.3° |
| C11 | C18 | H181 | 109.1° | 109.4° |
| C11 | C18 | H182 | 109.1° | 109.4° |
| C11 | N13 | C14 | 121.3° | 120.0° |
| N13 | C11 | H111 | 110.7° | 109.3° |
| C11 | N13 | H131 | 119.4° | 120.0° |
| N13 | C14 | O15 | 118.1° | 120.0° |
| N13 | C14 | O16 | 120.9° | 119.9° |
| C14 | N13 | H131 | 119.3° | 119.9° |
| O15 | C14 | O16 | 121.0° | 120.0° |
| C18 | C19 | C50 | 108.3° | 109.5° |
| C19 | C18 | H181 | 109.1° | 109.4° |
| C19 | C18 | H182 | 109.2° | 109.4° |
| C18 | C19 | H191 | 109.8° | 109.5° |
| C18 | C19 | H192 | 109.7° | 109.4° |
| C19 | C50 | C48 | 110.1° | 109.5° |
| C50 | C19 | H191 | 109.8° | 109.5° |
| C50 | C19 | H192 | 109.8° | 109.5° |
| C19 | C50 | H501 | 109.3° | 109.5° |
| C19 | C50 | H502 | 109.3° | 109.5° |
| C27 | C23 | N22 | 118.5° | 121.0° |
| C23 | C27 | H271 | 120.0° | 120.2° |
| C30 | C29 | H291 | 119.9° | 119.6° |
| C29 | C30 | H301 | 120.0° | 120.1° |
| O31 | C32 | H321 | 109.5° | 109.4° |
| O31 | C32 | H322 | 109.4° | 109.5° |
| O31 | C32 | H323 | 109.4° | 109.5° |
| N35 | C34 | O36 | 117.9° | 120.1° |
| C34 | N35 | S37 | 117.2° | 120.0° |
| C34 | N35 | H351 | 121.4° | 120.1° |
| C41 | C40 | C42 | 60.1° | 60.0° |
| C41 | C40 | C43 | 116.1° | 117.5° |
| C41 | C40 | S37 | 115.8° | 117.5° |
| C40 | C41 | C42 | 60.0° | 60.0° |
| C40 | C41 | H411 | 120.0° | 117.5° |
| C40 | C41 | H412 | 120.0° | 117.5° |
| C42 | C40 | C43 | 116.0° | 117.5° |
| C42 | C40 | S37 | 115.2° | 117.5° |
| C40 | C42 | C41 | 59.9° | 60.0° |
| C40 | C42 | H421 | 120.0° | 117.5° |
| C40 | C42 | H422 | 120.0° | 117.5° |
| C43 | C40 | S37 | 119.7° | 115.6° |
| C40 | C43 | H432 | 109.5° | 109.4° |
| C40 | C43 | H431 | 109.5° | 109.5° |
| C40 | C43 | H433 | 109.5° | 109.4° |
| C40 | S37 | N35 | 109.2° | 104.5° |
| C40 | S37 | O38 | 112.0° | 110.6° |
| C40 | S37 | O39 | 111.3° | 110.5° |
| C42 | C41 | H411 | 120.0° | 117.5° |
| C42 | C41 | H412 | 120.0° | 117.5° |
| C41 | C42 | H421 | 120.0° | 117.5° |
| C41 | C42 | H422 | 120.0° | 117.5° |
| C45 | C44 | C49 | 120.6° | 118.3° |
| C44 | C45 | C46 | 124.0° | 119.5° |
| C45 | C44 | H441 | 109.7° | 115.4° |
| C44 | C45 | H451 | 118.0° | 120.1° |
| C49 | C44 | H441 | 109.9° | 117.2° |
| C44 | C49 | H491 | 119.9° | 117.5° |
| C44 | C49 | H492 | 119.9° | 117.5° |
| C45 | C46 | C47 | 122.3° | 119.4° |
| C46 | C45 | H451 | 118.0° | 120.3° |
| C45 | C46 | H461 | 118.9° | 119.8° |
| C46 | C47 | C48 | 107.3° | 110.2° |
| C47 | C46 | H461 | 118.8° | 120.7° |
| C46 | C47 | H472 | 110.0° | 109.4° |
| C46 | C47 | H471 | 110.0° | 109.4° |
| C47 | C48 | C50 | 111.0° | 109.3° |
| C48 | C47 | H472 | 110.0° | 109.3° |
| C48 | C47 | H471 | 110.0° | 109.3° |
| C47 | C48 | H482 | 109.1° | 109.5° |
| C47 | C48 | H481 | 109.1° | 109.5° |
| C50 | C48 | H482 | 109.1° | 109.5° |
| C50 | C48 | H481 | 109.1° | 109.5° |
| C48 | C50 | H501 | 109.3° | 109.5° |
| C48 | C50 | H502 | 109.3° | 109.4° |
| C51 | C52 | C53 | 103.9° | 106.6° |
| C52 | C51 | H511 | 121.6° | 110.5° |
| C52 | C51 | H512 | 121.6° | 110.5° |
| C51 | C52 | H522 | 110.9° | 110.0° |
| C51 | C52 | H521 | 110.9° | 110.1° |
| C52 | C51 | C1 | 49.5° | 104.2° |
| C52 | C53 | C54 | 105.3° | 106.6° |
| C53 | C52 | H522 | 110.8° | 110.0° |
| C53 | C52 | H521 | 110.8° | 110.0° |
| C52 | C53 | H531 | 110.5° | 110.0° |
| C52 | C53 | H532 | 110.5° | 110.0° |
| C54 | C53 | H531 | 110.5° | 110.1° |
| C54 | C53 | H532 | 110.5° | 110.0° |
| C53 | C54 | H541 | 101.4° | 110.5° |
| C53 | C54 | C1 | 63.9° | 104.2° |
| F56 | C55 | F57 | 108.4° | 109.5° |
| F56 | C55 | F58 | 109.4° | 109.5° |
| F57 | C55 | F58 | 109.0° | 109.5° |
| N35 | S37 | O38 | 111.6° | 104.2° |
| N35 | S37 | O39 | 111.3° | 104.3° |
| S37 | N35 | H351 | 121.4° | 120.0° |
| O38 | S37 | O39 | 101.3° | 121.0° |
| H021 | C02 | H022 | 109.5° | 110.2° |
| H041 | C04 | H042 | 109.5° | 109.9° |
| H181 | C18 | H182 | 109.5° | 109.2° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.4° |
| H321 | C32 | H323 | 109.5° | 109.4° |
| H322 | C32 | H323 | 109.5° | 109.5° |
| H333 | C33 | H331 | 109.4° | 109.5° |
| H333 | C33 | H332 | 109.5° | 109.4° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.5° | 115.6° |
| H421 | C42 | H422 | 109.5° | 115.6° |
| H432 | C43 | H431 | 109.5° | 109.5° |
| H432 | C43 | H433 | 109.4° | 109.5° |
| H431 | C43 | H433 | 109.5° | 109.5° |
| H472 | C47 | H471 | 109.5° | 109.2° |
| H482 | C48 | H481 | 109.5° | 109.5° |
| H491 | C49 | H492 | 109.5° | 115.6° |
| H501 | C50 | H502 | 109.5° | 109.5° |
| H511 | C51 | H512 | 109.5° | 110.4° |
| H511 | C51 | C1 | 121.6° | 110.5° |
| H512 | C51 | C1 | 121.6° | 110.6° |
| H522 | C52 | H521 | 109.4° | 110.1° |
| H531 | C53 | H532 | 109.4° | 110.1° |
| H541 | C54 | C1 | 90.7° | 110.6° |
| C51 | C1 | C54 | 4.0° | 102.8° |
| C51 | C1 | H2 | 90.0° | 110.7° |
| C51 | C1 | H3 | 90.0° | 110.8° |
| C54 | C1 | H2 | 90.0° | 110.8° |
| C54 | C1 | H3 | 90.0° | 110.8° |
| H2 | C1 | H3 | 90.0° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C10 | N05 | O12 | 179.4° | 179.8° |
| C11 | C10 | N05 | C01 | 180.0° | 179.5° |
| C11 | C10 | N05 | C04 | 0.5° | 0.3° |
| C10 | C11 | C18 | N13 | 119.4° | 120.2° |
| C10 | C11 | C18 | H111 | 120.1° | 120.1° |
| C10 | C11 | N13 | H111 | 121.3° | 119.7° |
| C10 | C11 | N13 | C14 | 78.0° | 154.7° |
| C10 | C11 | C18 | C19 | 63.6° | 45.0° |
| C10 | C11 | C18 | H181 | 176.2° | 165.2° |
| C10 | C11 | C18 | H182 | 56.6° | 75.2° |
| C10 | C11 | N13 | H131 | 102.0° | 25.2° |
| C10 | N05 | C01 | C02 | 178.6° | 161.4° |
| C10 | N05 | C01 | C06 | 55.7° | 42.1° |
| C10 | N05 | C01 | C04 | 179.7° | 179.8° |
| C10 | N05 | C04 | C03 | 152.5° | 160.4° |
| N05 | C10 | C11 | C18 | 114.5° | 177.3° |
| N05 | C10 | C11 | N13 | 127.6° | 57.1° |
| C10 | N05 | C01 | H011 | 62.9° | 78.5° |
| C10 | N05 | C04 | H041 | 89.1° | 40.9° |
| C10 | N05 | C04 | H042 | 34.1° | 80.1° |
| N05 | C10 | C11 | H111 | 5.6° | 62.6° |
| O12 | C10 | N05 | C01 | 0.6° | 0.3° |
| O12 | C10 | N05 | C04 | 179.8° | 179.9° |
| O12 | C10 | C11 | C18 | 64.9° | 2.9° |
| O12 | C10 | C11 | N13 | 53.0° | 123.1° |
| O12 | C10 | C11 | H111 | 175.0° | 117.2° |
| C54 | C17 | C55 | O15 | 127.1° | 120.0° |
| C54 | C17 | C55 | H1 | 116.9° | 120.0° |
| C54 | C17 | O15 | H1 | 117.3° | 120.1° |
| C54 | C17 | O15 | C14 | 65.1° | 147.6° |
| C17 | C54 | C53 | C52 | 1.3° | 142.3° |
| C17 | C54 | C53 | H541 | 107.8° | 122.5° |
| C17 | C54 | C53 | C1 | 167.1° | 118.7° |
| C54 | C17 | C55 | F56 | 176.8° | 65.6° |
| C54 | C17 | C55 | F57 | 57.9° | 174.4° |
| C54 | C17 | C55 | F58 | 62.7° | 54.4° |
| C17 | C54 | C53 | H531 | 118.0° | 23.0° |
| C17 | C54 | C53 | H532 | 120.7° | 98.5° |
| C17 | C54 | H541 | C1 | 172.9° | 122.6° |
| C17 | C54 | C1 | C51 | 20.5° | 156.6° |
| C17 | C54 | C1 | H2 | 90.0° | 85.1° |
| C17 | C54 | C1 | H3 | 90.0° | 38.3° |
| C55 | C17 | O15 | H1 | 115.3° | 120.0° |
| C55 | C17 | O15 | C14 | 62.3° | 92.4° |
| C55 | C17 | C54 | C53 | 139.3° | 180.0° |
| C17 | C55 | F56 | F57 | 119.9° | 120.0° |
| C17 | C55 | F56 | F58 | 121.4° | 120.0° |
| C17 | C55 | F57 | F58 | 121.8° | 120.0° |
| C55 | C17 | C54 | H541 | 114.5° | 57.5° |
| C55 | C17 | C54 | C1 | 92.4° | 65.2° |
| C17 | O15 | C14 | N13 | 178.5° | 174.3° |
| C17 | O15 | C14 | O16 | 1.5° | 5.6° |
| O15 | C17 | C54 | C53 | 93.3° | 60.0° |
| O15 | C17 | C55 | F56 | 56.1° | 174.4° |
| O15 | C17 | C55 | F57 | 174.9° | 54.4° |
| O15 | C17 | C55 | F58 | 64.4° | 65.6° |
| O15 | C17 | C54 | H541 | 12.9° | 62.5° |
| O15 | C17 | C54 | C1 | 140.3° | 174.8° |
| C26 | C21 | N22 | O20 | 179.7° | 179.7° |
| C21 | C26 | N25 | C24 | 0.2° | 0.0° |
| C21 | C26 | C33 | N25 | 179.8° | 180.0° |
| C26 | C21 | O20 | C03 | 165.6° | 180.0° |
| C26 | C21 | N22 | C23 | 0.2° | 0.0° |
| C21 | C26 | C33 | H333 | 179.8° | 90.0° |
| C21 | C26 | C33 | H331 | 59.8° | 150.0° |
| C21 | C26 | C33 | H332 | 60.2° | 29.9° |
| C21 | N22 | C23 | C24 | 0.1° | 0.0° |
| N22 | C21 | C26 | C33 | 180.0° | 180.0° |
| N22 | C21 | C26 | N25 | 0.2° | 0.0° |
| N22 | C21 | O20 | C03 | 14.7° | 0.3° |
| C21 | N22 | C23 | C27 | 180.0° | 180.0° |
| O20 | C21 | C26 | C33 | 0.3° | 0.3° |
| O20 | C21 | C26 | N25 | 179.9° | 179.7° |
| C21 | O20 | C03 | C02 | 85.6° | 149.9° |
| C21 | O20 | C03 | C04 | 166.2° | 93.4° |
| O20 | C21 | N22 | C23 | 179.9° | 179.7° |
| C21 | O20 | C03 | H031 | 46.2° | 28.3° |
| C23 | C24 | C30 | N25 | 180.0° | 180.0° |
| C23 | C24 | N25 | C26 | 0.1° | 0.0° |
| C24 | C23 | C27 | C28 | 0.2° | 0.0° |
| C24 | C23 | C27 | N22 | 179.9° | 180.0° |
| C23 | C24 | C30 | C29 | 0.0° | 0.0° |
| C24 | C23 | C27 | H271 | 179.7° | 180.0° |
| C23 | C24 | C30 | H301 | 180.0° | 180.0° |
| C30 | C24 | N25 | C26 | 179.9° | 180.0° |
| C24 | C30 | C29 | C28 | 0.0° | 0.0° |
| C30 | C24 | C23 | C27 | 0.1° | 0.0° |
| C30 | C24 | C23 | N22 | 180.0° | 180.0° |
| C24 | C30 | C29 | H301 | 180.0° | 180.0° |
| C24 | C30 | C29 | H291 | 180.0° | 180.0° |
| C24 | N25 | C26 | C33 | 179.9° | 180.0° |
| N25 | C24 | C23 | C27 | 179.9° | 180.0° |
| N25 | C24 | C23 | N22 | 0.1° | 0.0° |
| N25 | C24 | C30 | C29 | 180.0° | 180.0° |
| N25 | C24 | C30 | H301 | 0.0° | 0.0° |
| C26 | C33 | H333 | H331 | 120.0° | 120.0° |
| C26 | C33 | H333 | H332 | 120.0° | 120.0° |
| C26 | C33 | H331 | H332 | 120.0° | 120.0° |
| N25 | C26 | C33 | H333 | 0.0° | 90.0° |
| N25 | C26 | C33 | H331 | 120.0° | 30.0° |
| N25 | C26 | C33 | H332 | 120.0° | 150.0° |
| C27 | C28 | C29 | O31 | 179.8° | 180.0° |
| C28 | C27 | C23 | H271 | 180.0° | 180.0° |
| C28 | C27 | C23 | N22 | 179.9° | 179.9° |
| C27 | C28 | C29 | C30 | 0.1° | 0.0° |
| C27 | C28 | O31 | C32 | 9.4° | 179.9° |
| C27 | C28 | C29 | H291 | 179.9° | 180.0° |
| C29 | C28 | C27 | C23 | 0.2° | 0.0° |
| C28 | C29 | C30 | H291 | 180.0° | 180.0° |
| C29 | C28 | O31 | C32 | 170.9° | 0.0° |
| C29 | C28 | C27 | H271 | 179.7° | 180.0° |
| C28 | C29 | C30 | H301 | 180.0° | 180.0° |
| O31 | C28 | C27 | C23 | 180.0° | 180.0° |
| O31 | C28 | C29 | C30 | 179.9° | 180.0° |
| O31 | C28 | C27 | H271 | 0.0° | 0.0° |
| O31 | C28 | C29 | H291 | 0.1° | 0.0° |
| C28 | O31 | C32 | H321 | 180.0° | 60.0° |
| C28 | O31 | C32 | H322 | 60.0° | 180.0° |
| C28 | O31 | C32 | H323 | 60.0° | 60.0° |
| C02 | C01 | C06 | N05 | 118.9° | 118.0° |
| C02 | C01 | C06 | H011 | 121.4° | 121.3° |
| C02 | C01 | N05 | H011 | 115.7° | 120.1° |
| C01 | C02 | C03 | H021 | 118.8° | 119.2° |
| C01 | C02 | C03 | H022 | 118.8° | 119.1° |
| C01 | C02 | C03 | C04 | 47.7° | 1.7° |
| C01 | C02 | C03 | O20 | 63.6° | 120.8° |
| C02 | C01 | N05 | C04 | 1.0° | 18.3° |
| C02 | C01 | C06 | N08 | 126.3° | 113.8° |
| C02 | C01 | C06 | O07 | 55.5° | 66.1° |
| C01 | C02 | H021 | H022 | 123.4° | 121.6° |
| C01 | C02 | C03 | H031 | 166.0° | 117.5° |
| C06 | C01 | N05 | H011 | 118.5° | 120.6° |
| C06 | C01 | C02 | C03 | 151.6° | 128.7° |
| C06 | C01 | N05 | C04 | 124.7° | 137.6° |
| C01 | C06 | N08 | O07 | 178.3° | 179.9° |
| C01 | C06 | N08 | C09 | 177.7° | 173.6° |
| C06 | C01 | C02 | H021 | 32.8° | 9.5° |
| C06 | C01 | C02 | H022 | 89.6° | 112.2° |
| C01 | C06 | N08 | H081 | 2.3° | 6.4° |
| N05 | C01 | C02 | C03 | 32.6° | 9.9° |
| C01 | N05 | C04 | C03 | 27.2° | 19.4° |
| N05 | C01 | C06 | N08 | 114.9° | 128.2° |
| N05 | C01 | C06 | O07 | 63.4° | 51.9° |
| N05 | C01 | C02 | H021 | 86.2° | 109.3° |
| N05 | C01 | C02 | H022 | 151.4° | 129.0° |
| C01 | N05 | C04 | H041 | 91.2° | 138.9° |
| C01 | N05 | C04 | H042 | 145.6° | 100.1° |
| C02 | C03 | C04 | O20 | 116.5° | 119.2° |
| C02 | C03 | C04 | H031 | 121.9° | 119.1° |
| C02 | C03 | O20 | H031 | 131.8° | 121.6° |
| C02 | C03 | C04 | N05 | 49.5° | 12.6° |
| C03 | C02 | C01 | H011 | 85.9° | 110.2° |
| C03 | C02 | H021 | H022 | 123.4° | 121.8° |
| C02 | C03 | C04 | H041 | 68.9° | 132.2° |
| C02 | C03 | C04 | H042 | 167.9° | 106.8° |
| C04 | C03 | O20 | H031 | 120.0° | 121.7° |
| C03 | C04 | N05 | H041 | 118.4° | 119.5° |
| C03 | C04 | N05 | H042 | 118.4° | 119.5° |
| C04 | C03 | C02 | H021 | 71.1° | 120.8° |
| C04 | C03 | C02 | H022 | 166.6° | 117.4° |
| C03 | C04 | H041 | H042 | 124.5° | 120.9° |
| O20 | C03 | C04 | N05 | 67.0° | 131.8° |
| O20 | C03 | C02 | H021 | 177.6° | 120.0° |
| O20 | C03 | C02 | H022 | 55.2° | 1.8° |
| O20 | C03 | C04 | H041 | 174.6° | 108.6° |
| O20 | C03 | C04 | H042 | 51.4° | 12.3° |
| C04 | N05 | C01 | H011 | 116.8° | 101.8° |
| N05 | C04 | C03 | H031 | 171.4° | 106.5° |
| N05 | C04 | H041 | H042 | 124.5° | 121.0° |
| C06 | N08 | C09 | C34 | 47.2° | 21.8° |
| C06 | N08 | C09 | C44 | 76.2° | 122.5° |
| C06 | N08 | C09 | C49 | 143.1° | 169.3° |
| C06 | N08 | C09 | H081 | 180.0° | 180.0° |
| N08 | C06 | C01 | H011 | 4.9° | 7.5° |
| O07 | C06 | N08 | C09 | 0.5° | 6.5° |
| O07 | C06 | C01 | H011 | 176.8° | 172.7° |
| O07 | C06 | N08 | H081 | 179.4° | 173.4° |
| C34 | C09 | C44 | C49 | 103.3° | 108.2° |
| C34 | C09 | C44 | N08 | 128.8° | 143.2° |
| C34 | C09 | C49 | N08 | 170.3° | 146.4° |
| C09 | C34 | N35 | O36 | 179.6° | 179.9° |
| C34 | C09 | C44 | C45 | 0.1° | 0.3° |
| C09 | C34 | N35 | S37 | 179.7° | 174.5° |
| C34 | C09 | C44 | H441 | 154.9° | 144.7° |
| C34 | C09 | C49 | H491 | 150.5° | 144.6° |
| C34 | C09 | C49 | H492 | 9.8° | 0.3° |
| C34 | C09 | N08 | H081 | 132.8° | 158.1° |
| C09 | C34 | N35 | H351 | 0.3° | 5.4° |
| C44 | C09 | C49 | N08 | 89.8° | 105.8° |
| C44 | C09 | C34 | N35 | 124.8° | 157.7° |
| C44 | C09 | C34 | O36 | 55.6° | 22.4° |
| C09 | C44 | C45 | C49 | 76.0° | 68.8° |
| C09 | C44 | C45 | H441 | 154.8° | 145.1° |
| C09 | C44 | C49 | H441 | 101.8° | 107.5° |
| C09 | C44 | C45 | C46 | 115.1° | 103.2° |
| C09 | C44 | C45 | H451 | 64.9° | 76.7° |
| C44 | C09 | C49 | H491 | 109.6° | 107.5° |
| C44 | C09 | C49 | H492 | 109.6° | 107.5° |
| C44 | C09 | N08 | H081 | 103.8° | 57.6° |
| C49 | C09 | C34 | N35 | 171.0° | 88.6° |
| C49 | C09 | C34 | O36 | 8.6° | 91.5° |
| C09 | C49 | H491 | H492 | 144.4° | 145.6° |
| C49 | C09 | N08 | H081 | 36.9° | 10.7° |
| N08 | C09 | C34 | N35 | 0.9° | 58.7° |
| N08 | C09 | C34 | O36 | 179.5° | 121.2° |
| N08 | C09 | C44 | C45 | 128.7° | 143.0° |
| N08 | C09 | C44 | H441 | 26.1° | 1.4° |
| N08 | C09 | C49 | H491 | 19.8° | 1.8° |
| N08 | C09 | C49 | H492 | 160.5° | 146.8° |
| C18 | C11 | N13 | H111 | 120.0° | 119.7° |
| C18 | C11 | N13 | C14 | 163.4° | 84.7° |
| C11 | C18 | C19 | H181 | 120.2° | 120.2° |
| C11 | C18 | C19 | H182 | 120.2° | 120.2° |
| C11 | C18 | C19 | C50 | 169.7° | 144.9° |
| C11 | C18 | H181 | H182 | 119.4° | 119.7° |
| C11 | C18 | C19 | H191 | 49.9° | 24.8° |
| C11 | C18 | C19 | H192 | 70.5° | 95.1° |
| C18 | C11 | N13 | H131 | 16.6° | 95.4° |
| C11 | N13 | C14 | H131 | 180.0° | 179.9° |
| C11 | N13 | C14 | O15 | 164.4° | 174.4° |
| C11 | N13 | C14 | O16 | 15.6° | 5.6° |
| N13 | C11 | C18 | C19 | 177.0° | 165.2° |
| N13 | C11 | C18 | H181 | 56.8° | 74.5° |
| N13 | C11 | C18 | H182 | 62.7° | 45.1° |
| N13 | C14 | O15 | O16 | 180.0° | 180.0° |
| C14 | N13 | C11 | H111 | 43.4° | 35.0° |
| C14 | O15 | C17 | H1 | 177.6° | 27.5° |
| O15 | C14 | N13 | H131 | 15.6° | 5.7° |
| O16 | C14 | N13 | H131 | 164.4° | 174.3° |
| C18 | C19 | C50 | H191 | 119.8° | 120.0° |
| C18 | C19 | C50 | H192 | 119.8° | 120.0° |
| C18 | C19 | C50 | C48 | 105.8° | 169.7° |
| C19 | C18 | C11 | H111 | 56.5° | 75.1° |
| C19 | C18 | H181 | H182 | 119.4° | 119.7° |
| C18 | C19 | H191 | H192 | 120.5° | 119.9° |
| C18 | C19 | C50 | H501 | 134.1° | 70.2° |
| C18 | C19 | C50 | H502 | 14.3° | 49.7° |
| C19 | C50 | C48 | C47 | 54.0° | 71.2° |
| C19 | C50 | C48 | H501 | 120.1° | 120.0° |
| C19 | C50 | C48 | H502 | 120.1° | 120.0° |
| C50 | C19 | C18 | H181 | 70.1° | 94.9° |
| C50 | C19 | C18 | H182 | 49.5° | 24.7° |
| C50 | C19 | H191 | H192 | 120.5° | 120.0° |
| C19 | C50 | C48 | H482 | 174.2° | 168.8° |
| C19 | C50 | C48 | H481 | 66.2° | 48.8° |
| C19 | C50 | H501 | H502 | 119.7° | 120.0° |
| N22 | C23 | C27 | H271 | 0.1° | 0.1° |
| O31 | C32 | H321 | H322 | 120.0° | 120.0° |
| O31 | C32 | H321 | H323 | 120.0° | 120.0° |
| O31 | C32 | H322 | H323 | 120.0° | 120.1° |
| C34 | N35 | S37 | C40 | 170.3° | 65.0° |
| C34 | N35 | S37 | H351 | 180.0° | 179.9° |
| C34 | N35 | S37 | O38 | 65.3° | 51.1° |
| C34 | N35 | S37 | O39 | 47.0° | 179.0° |
| O36 | C34 | N35 | S37 | 0.1° | 5.6° |
| O36 | C34 | N35 | H351 | 179.9° | 174.5° |
| C41 | C40 | C42 | C43 | 106.5° | 107.5° |
| C41 | C40 | C42 | S37 | 106.6° | 107.5° |
| C41 | C40 | C43 | S37 | 146.9° | 145.7° |
| C40 | C41 | C42 | H411 | 109.5° | 107.5° |
| C40 | C41 | C42 | H412 | 109.5° | 107.5° |
| C41 | C40 | S37 | N35 | 155.3° | 180.0° |
| C41 | C40 | S37 | O38 | 80.6° | 68.4° |
| C41 | C40 | S37 | O39 | 32.0° | 68.4° |
| C40 | C41 | H411 | H412 | 144.7° | 145.7° |
| C41 | C40 | C42 | H421 | 109.5° | 107.5° |
| C41 | C40 | C42 | H422 | 109.4° | 107.5° |
| C41 | C40 | C43 | H432 | 180.0° | 60.0° |
| C41 | C40 | C43 | H431 | 60.0° | 180.0° |
| C41 | C40 | C43 | H433 | 60.0° | 60.0° |
| C42 | C40 | C43 | S37 | 145.4° | 145.7° |
| C42 | C40 | S37 | N35 | 87.9° | 111.4° |
| C42 | C40 | S37 | O38 | 148.0° | 0.2° |
| C42 | C40 | S37 | O39 | 35.4° | 137.0° |
| C40 | C42 | H421 | H422 | 144.8° | 145.7° |
| C42 | C40 | C43 | H432 | 112.3° | 8.6° |
| C42 | C40 | C43 | H431 | 127.7° | 111.4° |
| C42 | C40 | C43 | H433 | 7.7° | 128.6° |
| C43 | C40 | S37 | N35 | 57.7° | 34.3° |
| C43 | C40 | S37 | O38 | 66.4° | 145.9° |
| C43 | C40 | S37 | O39 | 179.0° | 77.3° |
| C43 | C40 | C41 | H411 | 3.2° | 0.0° |
| C43 | C40 | C41 | H412 | 144.2° | 145.1° |
| C43 | C40 | C42 | H421 | 144.0° | 145.0° |
| C43 | C40 | C42 | H422 | 2.9° | 0.0° |
| C40 | C43 | H432 | H431 | 120.0° | 120.0° |
| C40 | C43 | H432 | H433 | 120.0° | 119.9° |
| C40 | C43 | H431 | H433 | 120.0° | 120.0° |
| C40 | S37 | N35 | O38 | 124.4° | 116.1° |
| C40 | S37 | N35 | O39 | 123.3° | 116.1° |
| C40 | S37 | O38 | O39 | 118.7° | 131.5° |
| S37 | C40 | C41 | H411 | 145.0° | 145.0° |
| S37 | C40 | C41 | H412 | 4.0° | 0.0° |
| S37 | C40 | C42 | H421 | 2.9° | 0.0° |
| S37 | C40 | C42 | H422 | 144.0° | 145.0° |
| S37 | C40 | C43 | H432 | 33.1° | 154.3° |
| S37 | C40 | C43 | H431 | 86.9° | 34.3° |
| S37 | C40 | C43 | H433 | 153.1° | 85.7° |
| C40 | S37 | N35 | H351 | 9.7° | 115.0° |
| C42 | C41 | H411 | H412 | 144.7° | 145.6° |
| C41 | C42 | H421 | H422 | 144.8° | 145.7° |
| C45 | C44 | C49 | H441 | 129.1° | 145.5° |
| C44 | C45 | C46 | H451 | 180.0° | 179.9° |
| C44 | C45 | C46 | C47 | 0.9° | 0.0° |
| C44 | C45 | C46 | H461 | 179.1° | 179.9° |
| C45 | C44 | C49 | H491 | 121.3° | 145.5° |
| C45 | C44 | C49 | H492 | 19.5° | 0.5° |
| C49 | C44 | C45 | C46 | 168.9° | 172.0° |
| C49 | C44 | C45 | H451 | 11.1° | 7.9° |
| C44 | C49 | H491 | H492 | 144.5° | 145.7° |
| C45 | C46 | C47 | H461 | 180.0° | 179.9° |
| C45 | C46 | C47 | C48 | 142.4° | 175.2° |
| C46 | C45 | C44 | H441 | 39.7° | 41.9° |
| C45 | C46 | C47 | H472 | 22.8° | 55.0° |
| C45 | C46 | C47 | H471 | 97.9° | 64.6° |
| C46 | C47 | C48 | H472 | 119.7° | 120.2° |
| C46 | C47 | C48 | H471 | 119.6° | 120.2° |
| C46 | C47 | C48 | C50 | 163.8° | 165.4° |
| C47 | C46 | C45 | H451 | 179.1° | 179.9° |
| C46 | C47 | H472 | H471 | 121.0° | 119.7° |
| C46 | C47 | C48 | H482 | 43.6° | 74.6° |
| C46 | C47 | C48 | H481 | 75.9° | 45.5° |
| C47 | C48 | C50 | H482 | 120.2° | 120.0° |
| C47 | C48 | C50 | H481 | 120.2° | 120.0° |
| C48 | C47 | C46 | H461 | 37.6° | 5.0° |
| C48 | C47 | H472 | H471 | 121.0° | 119.6° |
| C47 | C48 | H482 | H481 | 119.3° | 120.1° |
| C47 | C48 | C50 | H501 | 174.1° | 168.8° |
| C47 | C48 | C50 | H502 | 66.1° | 48.8° |
| C48 | C50 | C19 | H191 | 14.0° | 49.7° |
| C48 | C50 | C19 | H192 | 134.4° | 70.3° |
| C50 | C48 | C47 | H472 | 76.5° | 45.2° |
| C50 | C48 | C47 | H471 | 44.2° | 74.3° |
| C50 | C48 | H482 | H481 | 119.3° | 120.1° |
| C48 | C50 | H501 | H502 | 119.7° | 119.9° |
| C51 | C52 | C53 | H522 | 119.1° | 119.3° |
| C51 | C52 | C53 | H521 | 119.1° | 119.3° |
| C51 | C52 | C53 | C54 | 24.0° | 0.0° |
| C52 | C51 | H511 | H512 | 150.6° | 122.5° |
| C52 | C51 | H511 | C1 | 58.8° | 114.8° |
| C52 | C51 | H512 | C1 | 58.9° | 114.9° |
| C51 | C52 | H522 | H521 | 122.6° | 121.5° |
| C51 | C52 | C53 | H531 | 143.3° | 119.3° |
| C51 | C52 | C53 | H532 | 95.4° | 119.2° |
| C52 | C51 | C1 | C54 | 110.3° | 37.9° |
| C52 | C51 | C1 | H2 | 90.0° | 156.3° |
| C52 | C51 | C1 | H3 | 90.0° | 80.4° |
| C52 | C53 | C54 | H531 | 119.3° | 119.3° |
| C52 | C53 | C54 | H532 | 119.4° | 119.2° |
| C53 | C52 | C51 | H511 | 140.3° | 95.1° |
| C53 | C52 | C51 | H512 | 72.7° | 142.4° |
| C53 | C52 | H522 | H521 | 122.6° | 121.4° |
| C52 | C53 | H531 | H532 | 121.9° | 121.4° |
| C52 | C53 | C54 | H541 | 109.1° | 95.2° |
| C53 | C52 | C51 | C1 | 33.8° | 23.6° |
| C52 | C53 | C54 | C1 | 165.8° | 23.7° |
| C53 | C54 | C17 | H1 | 23.5° | 60.0° |
| C54 | C53 | C52 | H522 | 95.1° | 119.3° |
| C54 | C53 | C52 | H521 | 143.1° | 119.3° |
| C54 | C53 | H531 | H532 | 122.0° | 121.5° |
| C53 | C54 | H541 | C1 | 63.5° | 114.9° |
| C53 | C54 | C1 | C51 | 31.2° | 38.0° |
| C53 | C54 | C1 | H2 | 90.0° | 156.3° |
| C53 | C54 | C1 | H3 | 90.0° | 80.4° |
| F56 | C55 | F57 | F58 | 119.0° | 120.0° |
| F56 | C55 | C17 | H1 | 59.8° | 54.4° |
| F57 | C55 | C17 | H1 | 59.0° | 65.6° |
| F58 | C55 | C17 | H1 | 179.7° | 174.4° |
| N35 | S37 | O38 | O39 | 118.5° | 116.7° |
| O38 | S37 | N35 | H351 | 114.7° | 128.9° |
| O39 | S37 | N35 | H351 | 133.0° | 1.1° |
| H1 | C17 | C54 | H541 | 129.7° | 177.4° |
| H1 | C17 | C54 | C1 | 23.5° | 54.7° |
| H011 | C01 | C02 | H021 | 155.3° | 130.6° |
| H011 | C01 | C02 | H022 | 32.9° | 8.9° |
| H021 | C02 | C03 | H031 | 47.2° | 1.6° |
| H022 | C02 | C03 | H031 | 75.2° | 123.4° |
| H031 | C03 | C04 | H041 | 53.0° | 13.0° |
| H031 | C03 | C04 | H042 | 70.2° | 134.0° |
| H111 | C11 | C18 | H181 | 63.7° | 45.1° |
| H111 | C11 | C18 | H182 | 176.7° | 164.7° |
| H111 | C11 | N13 | H131 | 136.6° | 144.9° |
| H181 | C18 | C19 | H191 | 170.1° | 145.0° |
| H181 | C18 | C19 | H192 | 49.7° | 25.1° |
| H182 | C18 | C19 | H191 | 70.3° | 95.4° |
| H182 | C18 | C19 | H192 | 169.3° | 144.7° |
| H191 | C19 | C50 | H501 | 106.1° | 169.7° |
| H191 | C19 | C50 | H502 | 134.1° | 70.3° |
| H192 | C19 | C50 | H501 | 14.3° | 49.7° |
| H192 | C19 | C50 | H502 | 105.5° | 169.7° |
| H291 | C29 | C30 | H301 | 0.1° | 0.0° |
| H321 | C32 | H322 | H323 | 120.0° | 119.9° |
| H333 | C33 | H331 | H332 | 120.0° | 120.0° |
| H411 | C41 | C42 | H421 | 141.1° | 145.0° |
| H411 | C41 | C42 | H422 | 0.0° | 0.0° |
| H412 | C41 | C42 | H421 | 0.1° | 0.0° |
| H412 | C41 | C42 | H422 | 141.1° | 145.0° |
| H432 | C43 | H431 | H433 | 120.0° | 120.0° |
| H441 | C44 | C45 | H451 | 140.3° | 138.2° |
| H441 | C44 | C49 | H491 | 7.8° | 0.0° |
| H441 | C44 | C49 | H492 | 148.6° | 145.0° |
| H451 | C45 | C46 | H461 | 0.9° | 0.2° |
| H461 | C46 | C47 | H472 | 157.2° | 125.2° |
| H461 | C46 | C47 | H471 | 82.1° | 115.2° |
| H472 | C47 | C48 | H482 | 163.3° | 165.2° |
| H472 | C47 | C48 | H481 | 43.7° | 74.8° |
| H471 | C47 | C48 | H482 | 76.0° | 45.7° |
| H471 | C47 | C48 | H481 | 164.4° | 165.7° |
| H482 | C48 | C50 | H501 | 65.6° | 48.8° |
| H482 | C48 | C50 | H502 | 54.2° | 71.2° |
| H481 | C48 | C50 | H501 | 53.9° | 71.3° |
| H481 | C48 | C50 | H502 | 173.7° | 168.8° |
| H511 | C51 | H512 | C1 | 150.6° | 122.6° |
| H511 | C51 | C52 | H522 | 100.6° | 145.7° |
| H511 | C51 | C52 | H521 | 21.2° | 24.2° |
| H511 | C51 | C1 | C54 | 143.2° | 80.7° |
| H511 | C51 | C1 | H2 | 90.0° | 37.6° |
| H511 | C51 | C1 | H3 | 90.0° | 160.9° |
| H512 | C51 | C52 | H522 | 46.4° | 23.2° |
| H512 | C51 | C52 | H521 | 168.2° | 98.3° |
| H512 | C51 | C1 | C54 | 3.9° | 156.7° |
| H512 | C51 | C1 | H2 | 90.0° | 85.0° |
| H512 | C51 | C1 | H3 | 90.0° | 38.3° |
| H522 | C52 | C53 | H531 | 24.2° | 0.0° |
| H522 | C52 | C53 | H532 | 145.5° | 121.5° |
| H522 | C52 | C51 | C1 | 152.9° | 95.7° |
| H521 | C52 | C53 | H531 | 97.5° | 121.4° |
| H521 | C52 | C53 | H532 | 23.7° | 0.1° |
| H521 | C52 | C51 | C1 | 85.3° | 142.9° |
| H531 | C53 | C54 | H541 | 10.2° | 145.5° |
| H531 | C53 | C54 | C1 | 74.9° | 95.6° |
| H532 | C53 | C54 | H541 | 131.5° | 24.0° |
| H532 | C53 | C54 | C1 | 46.5° | 142.8° |
| H541 | C54 | C1 | C51 | 133.5° | 80.8° |
| H541 | C54 | C1 | H2 | 90.0° | 37.5° |
| H541 | C54 | C1 | H3 | 90.0° | 160.8° |
| C51 | C1 | C54 | H2 | 90.0° | 118.3° |
| C51 | C1 | C54 | H3 | 90.0° | 118.3° |
| C51 | C1 | H2 | H3 | 90.0° | 123.3° |
| C54 | C1 | H2 | H3 | 90.0° | 123.3° |
