9H4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C40 | C39 | sing | 1.55Å | 1.55Å | |
| C41 | C39 | sing | 1.55Å | 1.55Å | |
| C07 | C06 | sing | 1.54Å | 1.54Å | |
| C07 | C22 | sing | 1.54Å | 1.54Å | |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C39 | O38 | sing | 1.43Å | 1.43Å | |
| C39 | C42 | sing | 1.55Å | 1.55Å | |
| O38 | C36 | sing | 1.41Å | 1.41Å | |
| N52 | C09 | doub | 1.45Å | 1.45Å | Aromatic |
| N52 | C51 | sing | 1.47Å | 1.47Å | Aromatic |
| C06 | C22 | sing | 1.53Å | 1.53Å | |
| C06 | C05 | sing | 1.54Å | 1.54Å | |
| C09 | C10 | sing | 1.54Å | 1.54Å | Aromatic |
| C22 | N23 | sing | 1.45Å | 1.45Å | |
| C22 | C26 | sing | 1.53Å | 1.53Å | |
| N23 | C24 | sing | 1.47Å | 1.47Å | |
| C05 | C21 | doub | 1.36Å | 1.36Å | |
| C50 | C51 | doub | 1.55Å | 1.55Å | Aromatic |
| C50 | C49 | sing | 1.53Å | 1.53Å | Aromatic |
| O27 | C26 | doub | 1.39Å | 1.39Å | |
| O17 | C16 | doub | 1.20Å | 1.20Å | |
| C36 | N35 | sing | 1.46Å | 1.46Å | |
| C36 | O37 | doub | 1.19Å | 1.19Å | |
| C51 | C44 | sing | 1.51Å | 1.51Å | Aromatic |
| C26 | N28 | sing | 1.27Å | 1.27Å | |
| N35 | C02 | sing | 1.43Å | 1.43Å | |
| C21 | C20 | sing | 1.55Å | 1.55Å | |
| O30 | S29 | doub | 1.47Å | 1.47Å | |
| C10 | O11 | sing | 1.40Å | 1.40Å | |
| C10 | N43 | doub | 1.44Å | 1.44Å | Aromatic |
| C16 | N15 | sing | 1.49Å | 1.49Å | |
| C16 | C02 | sing | 1.54Å | 1.54Å | |
| C49 | C46 | doub | 1.54Å | 1.54Å | Aromatic |
| C24 | C14 | sing | 1.55Å | 1.55Å | |
| C24 | O25 | doub | 1.20Å | 1.20Å | |
| C14 | N15 | sing | 1.31Å | 1.31Å | |
| C14 | C13 | sing | 1.64Å | 1.64Å | |
| N28 | S29 | sing | 1.69Å | 1.69Å | |
| O11 | C12 | sing | 1.50Å | 1.50Å | |
| C20 | C04 | sing | 1.55Å | 1.55Å | |
| N15 | C01 | sing | 1.55Å | 1.55Å | |
| C44 | N43 | sing | 1.46Å | 1.46Å | Aromatic |
| C44 | C45 | doub | 1.54Å | 1.54Å | Aromatic |
| C02 | C18 | sing | 1.52Å | 1.52Å | |
| S29 | O31 | doub | 1.47Å | 1.47Å | |
| S29 | C32 | sing | 1.81Å | 1.81Å | |
| C18 | C03 | sing | 1.56Å | 1.56Å | |
| C13 | C12 | sing | 1.27Å | 1.27Å | |
| C46 | C45 | sing | 1.53Å | 1.53Å | Aromatic |
| C46 | O47 | sing | 1.40Å | 1.40Å | |
| C12 | C01 | sing | 1.56Å | 1.56Å | |
| C33 | C32 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.54Å | 1.54Å | |
| C04 | C19 | sing | 1.56Å | 1.56Å | |
| C32 | C34 | sing | 1.53Å | 1.53Å | |
| C32 | C53 | sing | 1.55Å | 1.55Å | |
| C03 | C19 | sing | 1.56Å | 1.56Å | |
| O47 | C48 | sing | 1.42Å | 1.42Å | |
| C13 | H132 | sing | 1.10Å | 1.10Å | |
| C13 | H131 | sing | 1.10Å | 1.10Å | |
| C20 | H202 | sing | 1.10Å | 1.10Å | |
| C20 | H201 | sing | 1.10Å | 1.10Å | |
| C21 | H211 | sing | 1.08Å | 1.08Å | |
| C01 | H012 | sing | 1.10Å | 1.10Å | |
| C01 | H011 | sing | 1.10Å | 1.10Å | |
| C02 | H021 | sing | 1.10Å | 1.10Å | |
| C03 | H031 | sing | 1.10Å | 1.10Å | |
| C03 | H032 | sing | 1.10Å | 1.10Å | |
| C04 | H041 | sing | 1.10Å | 1.10Å | |
| C04 | H042 | sing | 1.10Å | 1.10Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C06 | H061 | sing | 1.10Å | 1.10Å | |
| C07 | H071 | sing | 1.10Å | 1.10Å | |
| C07 | H072 | sing | 1.10Å | 1.10Å | |
| C08 | H081 | sing | 1.10Å | 1.10Å | |
| C08 | H083 | sing | 1.10Å | 1.10Å | |
| C08 | H082 | sing | 1.10Å | 1.10Å | |
| C12 | H121 | sing | 1.10Å | 1.10Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C18 | H182 | sing | 1.10Å | 1.10Å | |
| C18 | H181 | sing | 1.10Å | 1.10Å | |
| C19 | H192 | sing | 1.10Å | 1.10Å | |
| C19 | H191 | sing | 1.10Å | 1.10Å | |
| C33 | H332 | sing | 1.10Å | 1.10Å | |
| C33 | H331 | sing | 1.10Å | 1.10Å | |
| C34 | H341 | sing | 1.10Å | 1.10Å | |
| C34 | H342 | sing | 1.10Å | 1.10Å | |
| C40 | H403 | sing | 1.10Å | 1.10Å | |
| C40 | H402 | sing | 1.10Å | 1.10Å | |
| C40 | H401 | sing | 1.10Å | 1.10Å | |
| C41 | H411 | sing | 1.10Å | 1.10Å | |
| C41 | H412 | sing | 1.10Å | 1.10Å | |
| C41 | H413 | sing | 1.10Å | 1.10Å | |
| C42 | H423 | sing | 1.10Å | 1.10Å | |
| C42 | H422 | sing | 1.10Å | 1.10Å | |
| C42 | H421 | sing | 1.10Å | 1.10Å | |
| C45 | H451 | sing | 1.08Å | 1.08Å | |
| C48 | H481 | sing | 1.10Å | 1.10Å | |
| C48 | H483 | sing | 1.10Å | 1.10Å | |
| C48 | H482 | sing | 1.10Å | 1.10Å | |
| C49 | H491 | sing | 1.08Å | 1.08Å | |
| C50 | H501 | sing | 1.08Å | 1.08Å | |
| C53 | H532 | sing | 1.10Å | 1.10Å | |
| C53 | H531 | sing | 1.10Å | 1.10Å | |
| C53 | H533 | sing | 1.10Å | 1.10Å | |
| N23 | H231 | sing | 1.00Å | 1.00Å | |
| N28 | H1 | sing | 1.00Å | 1.00Å | |
| N35 | H351 | sing | 1.00Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C40 | C39 | C41 | 108.9° | 108.9° |
| C40 | C39 | O38 | 105.0° | 105.0° |
| C40 | C39 | C42 | 109.9° | 109.9° |
| C39 | C40 | H403 | 109.5° | 109.5° |
| C39 | C40 | H402 | 109.5° | 109.5° |
| C39 | C40 | H401 | 109.5° | 109.5° |
| C41 | C39 | O38 | 110.7° | 110.7° |
| C41 | C39 | C42 | 112.0° | 112.0° |
| C39 | C41 | H411 | 109.5° | 109.5° |
| C39 | C41 | H412 | 109.5° | 109.5° |
| C39 | C41 | H413 | 109.5° | 109.5° |
| C06 | C07 | C22 | 59.5° | 59.5° |
| C07 | C06 | C22 | 60.1° | 60.1° |
| C07 | C06 | C05 | 131.1° | 131.1° |
| C07 | C06 | H061 | 107.8° | 107.8° |
| C06 | C07 | H071 | 120.1° | 120.1° |
| C06 | C07 | H072 | 120.1° | 120.1° |
| C07 | C22 | C06 | 60.4° | 60.4° |
| C07 | C22 | N23 | 107.3° | 107.3° |
| C07 | C22 | C26 | 112.9° | 112.9° |
| C22 | C07 | H071 | 120.1° | 120.0° |
| C22 | C07 | H072 | 120.1° | 120.1° |
| C08 | C09 | N52 | 120.5° | 120.5° |
| C08 | C09 | C10 | 119.5° | 119.5° |
| C09 | C08 | H081 | 109.5° | 109.5° |
| C09 | C08 | H083 | 109.5° | 109.5° |
| C09 | C08 | H082 | 109.5° | 109.5° |
| O38 | C39 | C42 | 110.0° | 110.0° |
| C39 | O38 | C36 | 120.1° | 120.1° |
| C39 | C42 | H423 | 109.5° | 109.5° |
| C39 | C42 | H422 | 109.5° | 109.5° |
| C39 | C42 | H421 | 109.5° | 109.5° |
| O38 | C36 | N35 | 112.8° | 112.8° |
| O38 | C36 | O37 | 124.0° | 124.0° |
| C09 | N52 | C51 | 118.4° | 118.4° |
| N52 | C09 | C10 | 120.0° | 120.0° |
| N52 | C51 | C50 | 119.8° | 119.8° |
| N52 | C51 | C44 | 120.4° | 120.4° |
| C22 | C06 | C05 | 133.9° | 133.9° |
| C06 | C22 | N23 | 124.4° | 124.4° |
| C06 | C22 | C26 | 112.9° | 112.9° |
| C22 | C06 | H061 | 108.0° | 108.0° |
| C06 | C05 | C21 | 121.8° | 121.8° |
| C06 | C05 | H051 | 119.1° | 119.1° |
| C05 | C06 | H061 | 107.9° | 107.8° |
| C09 | C10 | O11 | 118.7° | 118.7° |
| C09 | C10 | N43 | 122.2° | 122.2° |
| N23 | C22 | C26 | 120.9° | 120.9° |
| C22 | N23 | C24 | 114.9° | 114.9° |
| C22 | N23 | H231 | 122.5° | 122.5° |
| C22 | C26 | O27 | 118.7° | 118.7° |
| C22 | C26 | N28 | 120.3° | 120.3° |
| N23 | C24 | C14 | 117.3° | 117.3° |
| N23 | C24 | O25 | 121.1° | 121.1° |
| C24 | N23 | H231 | 122.5° | 122.5° |
| C05 | C21 | C20 | 124.8° | 124.8° |
| C05 | C21 | H211 | 117.6° | 117.6° |
| C21 | C05 | H051 | 119.1° | 119.1° |
| C51 | C50 | C49 | 119.2° | 119.2° |
| C50 | C51 | C44 | 119.8° | 119.8° |
| C51 | C50 | H501 | 120.4° | 120.4° |
| C50 | C49 | C46 | 120.4° | 120.4° |
| C50 | C49 | H491 | 119.8° | 119.8° |
| C49 | C50 | H501 | 120.4° | 120.4° |
| O27 | C26 | N28 | 121.0° | 121.0° |
| O17 | C16 | N15 | 121.3° | 121.3° |
| O17 | C16 | C02 | 120.4° | 120.4° |
| N35 | C36 | O37 | 123.2° | 123.2° |
| C36 | N35 | C02 | 122.0° | 122.0° |
| C36 | N35 | H351 | 119.0° | 119.0° |
| C51 | C44 | N43 | 122.2° | 122.2° |
| C51 | C44 | C45 | 121.3° | 121.3° |
| C26 | N28 | S29 | 116.0° | 116.0° |
| C26 | N28 | H1 | 122.0° | 122.0° |
| N35 | C02 | C16 | 108.8° | 108.8° |
| N35 | C02 | C18 | 106.5° | 106.5° |
| N35 | C02 | H021 | 112.1° | 112.1° |
| C02 | N35 | H351 | 119.0° | 119.0° |
| C21 | C20 | C04 | 110.0° | 110.0° |
| C21 | C20 | H202 | 109.3° | 109.3° |
| C21 | C20 | H201 | 109.4° | 109.4° |
| C20 | C21 | H211 | 117.6° | 117.6° |
| O30 | S29 | N28 | 116.6° | 116.6° |
| O30 | S29 | O31 | 106.7° | 106.7° |
| O30 | S29 | C32 | 112.7° | 112.7° |
| O11 | C10 | N43 | 119.1° | 119.1° |
| C10 | O11 | C12 | 112.4° | 112.4° |
| C10 | N43 | C44 | 116.8° | 116.8° |
| N15 | C16 | C02 | 118.3° | 118.3° |
| C16 | N15 | C14 | 126.6° | 126.6° |
| C16 | N15 | C01 | 126.0° | 126.0° |
| C16 | C02 | C18 | 108.5° | 108.5° |
| C16 | C02 | H021 | 110.3° | 110.3° |
| C49 | C46 | C45 | 120.1° | 120.1° |
| C49 | C46 | O47 | 120.4° | 120.4° |
| C46 | C49 | H491 | 119.8° | 119.8° |
| C14 | C24 | O25 | 121.6° | 121.6° |
| C24 | C14 | N15 | 101.4° | 101.4° |
| C24 | C14 | C13 | 118.2° | 118.2° |
| C24 | C14 | H141 | 109.5° | 109.5° |
| N15 | C14 | C13 | 106.3° | 106.3° |
| C14 | N15 | C01 | 107.5° | 107.5° |
| N15 | C14 | H141 | 113.2° | 113.2° |
| C14 | C13 | C12 | 99.9° | 99.9° |
| C14 | C13 | H132 | 111.8° | 111.8° |
| C14 | C13 | H131 | 111.8° | 111.8° |
| C13 | C14 | H141 | 108.3° | 108.3° |
| N28 | S29 | O31 | 108.1° | 108.1° |
| N28 | S29 | C32 | 106.3° | 106.3° |
| S29 | N28 | H1 | 122.0° | 122.0° |
| O11 | C12 | C13 | 112.3° | 112.3° |
| O11 | C12 | C01 | 99.6° | 99.6° |
| O11 | C12 | H121 | 111.9° | 111.9° |
| C20 | C04 | C19 | 109.8° | 109.8° |
| C04 | C20 | H202 | 109.3° | 109.3° |
| C04 | C20 | H201 | 109.3° | 109.3° |
| C20 | C04 | H041 | 109.4° | 109.4° |
| C20 | C04 | H042 | 109.4° | 109.4° |
| N15 | C01 | C12 | 98.6° | 98.6° |
| N15 | C01 | H012 | 112.1° | 112.1° |
| N15 | C01 | H011 | 112.1° | 112.1° |
| N43 | C44 | C45 | 116.5° | 116.5° |
| C44 | C45 | C46 | 119.1° | 119.1° |
| C44 | C45 | H451 | 120.4° | 120.4° |
| C02 | C18 | C03 | 110.3° | 110.3° |
| C18 | C02 | H021 | 110.6° | 110.6° |
| C02 | C18 | H182 | 109.3° | 109.3° |
| C02 | C18 | H181 | 109.3° | 109.3° |
| O31 | S29 | C32 | 105.8° | 105.8° |
| S29 | C32 | C33 | 116.7° | 116.7° |
| S29 | C32 | C34 | 114.3° | 114.3° |
| S29 | C32 | C53 | 116.6° | 116.6° |
| C18 | C03 | C19 | 107.9° | 107.9° |
| C18 | C03 | H031 | 109.9° | 109.9° |
| C18 | C03 | H032 | 109.9° | 109.9° |
| C03 | C18 | H182 | 109.3° | 109.3° |
| C03 | C18 | H181 | 109.3° | 109.3° |
| C13 | C12 | C01 | 104.6° | 104.6° |
| C12 | C13 | H132 | 111.8° | 111.8° |
| C12 | C13 | H131 | 111.8° | 111.8° |
| C13 | C12 | H121 | 116.1° | 116.1° |
| C45 | C46 | O47 | 119.5° | 119.5° |
| C46 | C45 | H451 | 120.4° | 120.4° |
| C46 | O47 | C48 | 118.5° | 118.5° |
| C12 | C01 | H012 | 112.1° | 112.1° |
| C12 | C01 | H011 | 112.1° | 112.1° |
| C01 | C12 | H121 | 110.9° | 110.9° |
| C32 | C33 | C34 | 59.9° | 59.9° |
| C33 | C32 | C34 | 60.3° | 60.3° |
| C33 | C32 | C53 | 117.8° | 117.8° |
| C32 | C33 | H332 | 120.0° | 120.0° |
| C32 | C33 | H331 | 120.0° | 120.0° |
| C33 | C34 | C32 | 59.9° | 59.9° |
| C34 | C33 | H332 | 120.0° | 120.0° |
| C34 | C33 | H331 | 120.0° | 120.0° |
| C33 | C34 | H341 | 120.0° | 120.0° |
| C33 | C34 | H342 | 120.0° | 120.0° |
| C04 | C19 | C03 | 109.5° | 109.5° |
| C19 | C04 | H041 | 109.4° | 109.4° |
| C19 | C04 | H042 | 109.4° | 109.4° |
| C04 | C19 | H192 | 109.5° | 109.5° |
| C04 | C19 | H191 | 109.5° | 109.5° |
| C34 | C32 | C53 | 119.2° | 119.2° |
| C32 | C34 | H341 | 120.0° | 120.0° |
| C32 | C34 | H342 | 120.0° | 120.0° |
| C32 | C53 | H532 | 109.5° | 109.5° |
| C32 | C53 | H531 | 109.5° | 109.5° |
| C32 | C53 | H533 | 109.5° | 109.5° |
| C19 | C03 | H031 | 109.8° | 109.8° |
| C19 | C03 | H032 | 109.8° | 109.8° |
| C03 | C19 | H192 | 109.5° | 109.5° |
| C03 | C19 | H191 | 109.5° | 109.5° |
| O47 | C48 | H481 | 109.5° | 109.5° |
| O47 | C48 | H483 | 109.4° | 109.4° |
| O47 | C48 | H482 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.5° |
| H202 | C20 | H201 | 109.5° | 109.4° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H041 | C04 | H042 | 109.5° | 109.5° |
| H071 | C07 | H072 | 109.4° | 109.5° |
| H081 | C08 | H083 | 109.5° | 109.5° |
| H081 | C08 | H082 | 109.5° | 109.5° |
| H083 | C08 | H082 | 109.4° | 109.4° |
| H182 | C18 | H181 | 109.4° | 109.4° |
| H192 | C19 | H191 | 109.4° | 109.4° |
| H332 | C33 | H331 | 109.5° | 109.5° |
| H341 | C34 | H342 | 109.5° | 109.5° |
| H403 | C40 | H402 | 109.4° | 109.4° |
| H403 | C40 | H401 | 109.5° | 109.5° |
| H402 | C40 | H401 | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.4° | 109.4° |
| H411 | C41 | H413 | 109.5° | 109.5° |
| H412 | C41 | H413 | 109.5° | 109.5° |
| H423 | C42 | H422 | 109.5° | 109.4° |
| H423 | C42 | H421 | 109.5° | 109.5° |
| H422 | C42 | H421 | 109.4° | 109.5° |
| H481 | C48 | H483 | 109.5° | 109.5° |
| H481 | C48 | H482 | 109.5° | 109.5° |
| H483 | C48 | H482 | 109.5° | 109.5° |
| H532 | C53 | H531 | 109.5° | 109.4° |
| H532 | C53 | H533 | 109.4° | 109.4° |
| H531 | C53 | H533 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C40 | C39 | C41 | O38 | 115.0° | 115.0° |
| C40 | C39 | C41 | C42 | 121.8° | 121.8° |
| C40 | C39 | O38 | C42 | 118.3° | 118.3° |
| C40 | C39 | O38 | C36 | 178.8° | 178.8° |
| C39 | C40 | H403 | H402 | 120.0° | 120.0° |
| C39 | C40 | H403 | H401 | 120.0° | 120.0° |
| C39 | C40 | H402 | H401 | 120.0° | 120.0° |
| C40 | C39 | C41 | H411 | 180.0° | 180.0° |
| C40 | C39 | C41 | H412 | 60.0° | 60.0° |
| C40 | C39 | C41 | H413 | 60.0° | 60.0° |
| C40 | C39 | C42 | H423 | 180.0° | 180.0° |
| C40 | C39 | C42 | H422 | 60.0° | 60.0° |
| C40 | C39 | C42 | H421 | 60.0° | 60.0° |
| C41 | C39 | O38 | C42 | 124.3° | 124.3° |
| C41 | C39 | O38 | C36 | 61.4° | 61.4° |
| C41 | C39 | C40 | H403 | 180.0° | 180.0° |
| C41 | C39 | C40 | H402 | 60.0° | 60.0° |
| C41 | C39 | C40 | H401 | 60.0° | 60.0° |
| C39 | C41 | H411 | H412 | 120.0° | 120.0° |
| C39 | C41 | H411 | H413 | 120.0° | 120.0° |
| C39 | C41 | H412 | H413 | 120.0° | 120.0° |
| C41 | C39 | C42 | H423 | 58.8° | 58.8° |
| C41 | C39 | C42 | H422 | 61.3° | 61.2° |
| C41 | C39 | C42 | H421 | 178.8° | 178.8° |
| C06 | C07 | C22 | H071 | 109.4° | 109.4° |
| C06 | C07 | C22 | H072 | 109.3° | 109.3° |
| C07 | C06 | C22 | C05 | 119.9° | 119.9° |
| C07 | C06 | C22 | H061 | 100.6° | 100.6° |
| C07 | C06 | C05 | H061 | 135.0° | 135.0° |
| C06 | C07 | C22 | N23 | 120.2° | 120.2° |
| C06 | C07 | C22 | C26 | 104.2° | 104.2° |
| C07 | C06 | C05 | C21 | 163.9° | 163.9° |
| C07 | C06 | C05 | H051 | 16.1° | 16.1° |
| C06 | C07 | H071 | H072 | 145.0° | 145.0° |
| C07 | C22 | N23 | C26 | 131.4° | 131.4° |
| C07 | C22 | N23 | C24 | 147.5° | 147.5° |
| C07 | C22 | C26 | O27 | 35.6° | 35.6° |
| C07 | C22 | C26 | N28 | 145.2° | 145.2° |
| C22 | C07 | H071 | H072 | 145.0° | 145.0° |
| C07 | C22 | N23 | H231 | 32.4° | 32.4° |
| C08 | C09 | N52 | C10 | 179.6° | 179.6° |
| C08 | C09 | N52 | C51 | 179.9° | 179.9° |
| C08 | C09 | C10 | O11 | 0.3° | 0.3° |
| C08 | C09 | C10 | N43 | 179.9° | 179.9° |
| C09 | C08 | H081 | H083 | 120.0° | 120.0° |
| C09 | C08 | H081 | H082 | 120.0° | 120.0° |
| C09 | C08 | H083 | H082 | 120.0° | 120.0° |
| C39 | O38 | C36 | N35 | 176.9° | 176.9° |
| C39 | O38 | C36 | O37 | 2.6° | 2.6° |
| O38 | C39 | C40 | H403 | 61.4° | 61.4° |
| O38 | C39 | C40 | H402 | 178.6° | 178.6° |
| O38 | C39 | C40 | H401 | 58.6° | 58.6° |
| O38 | C39 | C41 | H411 | 65.0° | 65.0° |
| O38 | C39 | C41 | H412 | 55.0° | 55.0° |
| O38 | C39 | C41 | H413 | 175.0° | 175.0° |
| O38 | C39 | C42 | H423 | 64.8° | 64.8° |
| O38 | C39 | C42 | H422 | 175.2° | 175.2° |
| O38 | C39 | C42 | H421 | 55.2° | 55.2° |
| C42 | C39 | O38 | C36 | 62.9° | 62.9° |
| C42 | C39 | C40 | H403 | 56.9° | 56.9° |
| C42 | C39 | C40 | H402 | 63.0° | 63.0° |
| C42 | C39 | C40 | H401 | 177.0° | 177.0° |
| C42 | C39 | C41 | H411 | 58.2° | 58.2° |
| C42 | C39 | C41 | H412 | 178.2° | 178.2° |
| C42 | C39 | C41 | H413 | 61.8° | 61.8° |
| C39 | C42 | H423 | H422 | 120.0° | 120.0° |
| C39 | C42 | H423 | H421 | 120.0° | 120.0° |
| C39 | C42 | H422 | H421 | 120.0° | 120.0° |
| O38 | C36 | N35 | O37 | 179.5° | 179.5° |
| O38 | C36 | N35 | C02 | 173.4° | 173.4° |
| O38 | C36 | N35 | H351 | 6.6° | 6.6° |
| C09 | N52 | C51 | C50 | 179.8° | 179.8° |
| C09 | N52 | C51 | C44 | 0.3° | 0.3° |
| N52 | C09 | C10 | O11 | 180.0° | 180.0° |
| N52 | C09 | C10 | N43 | 0.4° | 0.4° |
| N52 | C09 | C08 | H081 | 0.0° | 0.0° |
| N52 | C09 | C08 | H083 | 120.0° | 120.0° |
| N52 | C09 | C08 | H082 | 120.0° | 120.0° |
| C51 | N52 | C09 | C10 | 0.3° | 0.3° |
| N52 | C51 | C50 | C44 | 179.9° | 179.9° |
| N52 | C51 | C50 | C49 | 179.9° | 179.9° |
| N52 | C51 | C44 | N43 | 0.4° | 0.4° |
| N52 | C51 | C44 | C45 | 179.8° | 179.8° |
| N52 | C51 | C50 | H501 | 0.1° | 0.1° |
| C22 | C06 | C05 | H061 | 139.5° | 139.5° |
| C06 | C22 | N23 | C26 | 163.0° | 163.0° |
| C06 | C22 | N23 | C24 | 82.0° | 82.0° |
| C22 | C06 | C05 | C21 | 110.7° | 110.7° |
| C06 | C22 | C26 | O27 | 30.5° | 30.5° |
| C06 | C22 | C26 | N28 | 148.6° | 148.6° |
| C22 | C06 | C05 | H051 | 69.4° | 69.4° |
| C06 | C22 | N23 | H231 | 98.0° | 98.0° |
| C05 | C06 | C22 | N23 | 148.6° | 148.6° |
| C05 | C06 | C22 | C26 | 15.6° | 15.6° |
| C06 | C05 | C21 | H051 | 180.0° | 180.0° |
| C06 | C05 | C21 | C20 | 1.4° | 1.4° |
| C06 | C05 | C21 | H211 | 178.6° | 178.6° |
| C05 | C06 | C07 | H071 | 14.7° | 14.8° |
| C05 | C06 | C07 | H072 | 126.6° | 126.6° |
| C09 | C10 | O11 | N43 | 179.6° | 179.6° |
| C09 | C10 | O11 | C12 | 172.4° | 172.4° |
| C09 | C10 | N43 | C44 | 0.5° | 0.5° |
| C10 | C09 | C08 | H081 | 179.6° | 179.6° |
| C10 | C09 | C08 | H083 | 60.4° | 60.4° |
| C10 | C09 | C08 | H082 | 59.6° | 59.6° |
| C22 | N23 | C24 | H231 | 180.0° | 180.0° |
| N23 | C22 | C26 | O27 | 164.6° | 164.6° |
| N23 | C22 | C26 | N28 | 16.2° | 16.2° |
| C22 | N23 | C24 | C14 | 171.8° | 171.8° |
| C22 | N23 | C24 | O25 | 5.1° | 5.1° |
| N23 | C22 | C06 | H061 | 9.1° | 9.1° |
| N23 | C22 | C07 | H071 | 130.4° | 130.5° |
| N23 | C22 | C07 | H072 | 10.9° | 10.9° |
| C26 | C22 | N23 | C24 | 81.0° | 81.0° |
| C22 | C26 | O27 | N28 | 179.1° | 179.1° |
| C22 | C26 | N28 | S29 | 177.9° | 177.9° |
| C26 | C22 | C06 | H061 | 155.1° | 155.1° |
| C26 | C22 | C07 | H071 | 5.2° | 5.2° |
| C26 | C22 | C07 | H072 | 146.5° | 146.5° |
| C26 | C22 | N23 | H231 | 99.0° | 99.0° |
| C22 | C26 | N28 | H1 | 2.1° | 2.1° |
| N23 | C24 | C14 | O25 | 176.9° | 176.9° |
| N23 | C24 | C14 | N15 | 124.7° | 124.7° |
| N23 | C24 | C14 | C13 | 119.6° | 119.6° |
| N23 | C24 | C14 | H141 | 4.9° | 4.9° |
| C05 | C21 | C20 | H211 | 180.0° | 180.0° |
| C05 | C21 | C20 | C04 | 121.3° | 121.3° |
| C05 | C21 | C20 | H202 | 1.2° | 1.2° |
| C05 | C21 | C20 | H201 | 118.6° | 118.6° |
| C21 | C05 | C06 | H061 | 28.8° | 28.9° |
| C51 | C50 | C49 | H501 | 180.0° | 180.0° |
| C51 | C50 | C49 | C46 | 0.3° | 0.3° |
| C50 | C51 | C44 | N43 | 179.7° | 179.7° |
| C50 | C51 | C44 | C45 | 0.1° | 0.1° |
| C51 | C50 | C49 | H491 | 179.7° | 179.8° |
| C49 | C50 | C51 | C44 | 0.0° | 0.0° |
| C50 | C49 | C46 | H491 | 180.0° | 180.0° |
| C50 | C49 | C46 | C45 | 0.7° | 0.7° |
| C50 | C49 | C46 | O47 | 179.7° | 179.7° |
| O27 | C26 | N28 | S29 | 1.2° | 1.2° |
| O27 | C26 | N28 | H1 | 178.8° | 178.8° |
| O17 | C16 | C02 | N35 | 60.7° | 60.7° |
| O17 | C16 | N15 | C02 | 179.6° | 179.6° |
| O17 | C16 | N15 | C14 | 1.3° | 1.3° |
| O17 | C16 | N15 | C01 | 179.9° | 179.9° |
| O17 | C16 | C02 | C18 | 54.8° | 54.8° |
| O17 | C16 | C02 | H021 | 176.0° | 176.0° |
| C36 | N35 | C02 | H351 | 180.0° | 180.0° |
| C36 | N35 | C02 | C16 | 80.3° | 80.3° |
| C36 | N35 | C02 | C18 | 162.9° | 162.9° |
| C36 | N35 | C02 | H021 | 41.9° | 41.9° |
| O37 | C36 | N35 | C02 | 7.1° | 7.1° |
| O37 | C36 | N35 | H351 | 172.9° | 172.9° |
| C51 | C44 | N43 | C10 | 0.5° | 0.5° |
| C51 | C44 | N43 | C45 | 179.8° | 179.8° |
| C51 | C44 | C45 | C46 | 0.6° | 0.6° |
| C51 | C44 | C45 | H451 | 179.4° | 179.4° |
| C44 | C51 | C50 | H501 | 180.0° | 180.0° |
| C26 | N28 | S29 | O30 | 57.7° | 57.7° |
| C26 | N28 | S29 | H1 | 180.0° | 180.0° |
| C26 | N28 | S29 | O31 | 62.4° | 62.4° |
| C26 | N28 | S29 | C32 | 175.6° | 175.6° |
| N35 | C02 | C16 | N15 | 118.9° | 118.9° |
| N35 | C02 | C16 | C18 | 115.5° | 115.5° |
| N35 | C02 | C16 | H021 | 123.3° | 123.3° |
| N35 | C02 | C18 | H021 | 122.0° | 122.0° |
| N35 | C02 | C18 | C03 | 177.3° | 177.3° |
| N35 | C02 | C18 | H182 | 57.1° | 57.1° |
| N35 | C02 | C18 | H181 | 62.6° | 62.6° |
| C21 | C20 | C04 | H202 | 120.1° | 120.1° |
| C21 | C20 | C04 | H201 | 120.1° | 120.1° |
| C21 | C20 | C04 | C19 | 171.1° | 171.1° |
| C21 | C20 | H202 | H201 | 119.8° | 119.8° |
| C21 | C20 | C04 | H041 | 51.0° | 51.0° |
| C21 | C20 | C04 | H042 | 68.9° | 68.9° |
| C20 | C21 | C05 | H051 | 178.6° | 178.6° |
| O30 | S29 | N28 | O31 | 120.1° | 120.1° |
| O30 | S29 | N28 | C32 | 126.7° | 126.7° |
| O30 | S29 | O31 | C32 | 120.3° | 120.3° |
| O30 | S29 | C32 | C33 | 34.7° | 34.7° |
| O30 | S29 | C32 | C34 | 32.9° | 32.9° |
| O30 | S29 | C32 | C53 | 178.6° | 178.6° |
| O30 | S29 | N28 | H1 | 122.3° | 122.3° |
| O11 | C10 | N43 | C44 | 179.9° | 179.9° |
| C10 | O11 | C12 | C13 | 86.6° | 86.6° |
| C10 | O11 | C12 | C01 | 163.2° | 163.2° |
| C10 | O11 | C12 | H121 | 46.0° | 46.0° |
| N43 | C10 | O11 | C12 | 7.2° | 7.2° |
| C10 | N43 | C44 | C45 | 179.7° | 179.7° |
| C16 | N15 | C14 | C24 | 47.7° | 47.7° |
| C16 | N15 | C14 | C01 | 178.8° | 178.8° |
| C16 | N15 | C14 | C13 | 171.8° | 171.8° |
| N15 | C16 | C02 | C18 | 125.6° | 125.6° |
| C16 | N15 | C01 | C12 | 163.1° | 163.1° |
| C16 | N15 | C01 | H012 | 44.8° | 44.8° |
| C16 | N15 | C01 | H011 | 78.7° | 78.7° |
| N15 | C16 | C02 | H021 | 4.4° | 4.4° |
| C16 | N15 | C14 | H141 | 69.4° | 69.4° |
| C02 | C16 | N15 | C14 | 179.1° | 179.1° |
| C02 | C16 | N15 | C01 | 0.5° | 0.5° |
| C16 | C02 | C18 | H021 | 121.1° | 121.1° |
| C16 | C02 | C18 | C03 | 65.8° | 65.8° |
| C16 | C02 | C18 | H182 | 174.1° | 174.1° |
| C16 | C02 | C18 | H181 | 54.3° | 54.3° |
| C16 | C02 | N35 | H351 | 99.7° | 99.7° |
| C49 | C46 | C45 | C44 | 0.9° | 0.9° |
| C49 | C46 | C45 | O47 | 179.0° | 179.0° |
| C49 | C46 | O47 | C48 | 170.2° | 170.2° |
| C49 | C46 | C45 | H451 | 179.1° | 179.1° |
| C46 | C49 | C50 | H501 | 179.7° | 179.7° |
| C24 | C14 | N15 | C13 | 124.1° | 124.1° |
| C24 | C14 | N15 | H141 | 117.1° | 117.1° |
| C24 | C14 | C13 | H141 | 125.1° | 125.1° |
| C24 | C14 | N15 | C01 | 131.1° | 131.1° |
| C24 | C14 | C13 | C12 | 149.2° | 149.2° |
| C24 | C14 | C13 | H132 | 30.8° | 30.8° |
| C24 | C14 | C13 | H131 | 92.3° | 92.3° |
| C14 | C24 | N23 | H231 | 8.1° | 8.1° |
| O25 | C24 | C14 | N15 | 52.2° | 52.2° |
| O25 | C24 | C14 | C13 | 63.5° | 63.5° |
| O25 | C24 | C14 | H141 | 172.0° | 172.0° |
| O25 | C24 | N23 | H231 | 175.0° | 175.0° |
| N15 | C14 | C13 | H141 | 121.9° | 121.9° |
| N15 | C14 | C13 | C12 | 36.3° | 36.3° |
| C14 | N15 | C01 | C12 | 18.1° | 18.1° |
| N15 | C14 | C13 | H132 | 82.2° | 82.1° |
| N15 | C14 | C13 | H131 | 154.7° | 154.7° |
| C14 | N15 | C01 | H012 | 136.4° | 136.4° |
| C14 | N15 | C01 | H011 | 100.1° | 100.1° |
| C14 | C13 | C12 | O11 | 59.9° | 59.9° |
| C13 | C14 | N15 | C01 | 7.0° | 7.0° |
| C14 | C13 | C12 | H132 | 118.4° | 118.4° |
| C14 | C13 | C12 | H131 | 118.4° | 118.4° |
| C14 | C13 | C12 | C01 | 47.0° | 47.0° |
| C14 | C13 | H132 | H131 | 124.4° | 124.4° |
| C14 | C13 | C12 | H121 | 169.6° | 169.6° |
| N28 | S29 | O31 | C32 | 113.6° | 113.6° |
| N28 | S29 | C32 | C33 | 94.3° | 94.3° |
| N28 | S29 | C32 | C34 | 161.9° | 161.9° |
| N28 | S29 | C32 | C53 | 52.4° | 52.4° |
| O11 | C12 | C01 | N15 | 72.0° | 72.0° |
| O11 | C12 | C13 | C01 | 107.0° | 107.0° |
| O11 | C12 | C13 | H121 | 130.4° | 130.4° |
| O11 | C12 | C01 | H121 | 117.9° | 117.9° |
| O11 | C12 | C13 | H132 | 178.3° | 178.4° |
| O11 | C12 | C13 | H131 | 58.5° | 58.5° |
| O11 | C12 | C01 | H012 | 46.2° | 46.2° |
| O11 | C12 | C01 | H011 | 169.9° | 169.9° |
| C20 | C04 | C19 | H041 | 120.1° | 120.0° |
| C20 | C04 | C19 | H042 | 120.1° | 120.1° |
| C20 | C04 | C19 | C03 | 71.7° | 71.7° |
| C04 | C20 | H202 | H201 | 119.7° | 119.7° |
| C04 | C20 | C21 | H211 | 58.7° | 58.7° |
| C20 | C04 | H041 | H042 | 119.9° | 119.9° |
| C20 | C04 | C19 | H192 | 48.3° | 48.3° |
| C20 | C04 | C19 | H191 | 168.2° | 168.2° |
| N15 | C01 | C12 | C13 | 44.2° | 44.2° |
| N15 | C01 | C12 | H012 | 118.2° | 118.2° |
| N15 | C01 | C12 | H011 | 118.2° | 118.2° |
| N15 | C01 | H012 | H011 | 125.1° | 125.1° |
| N15 | C01 | C12 | H121 | 170.1° | 170.1° |
| C01 | N15 | C14 | H141 | 111.8° | 111.8° |
| N43 | C44 | C45 | C46 | 179.2° | 179.2° |
| N43 | C44 | C45 | H451 | 0.8° | 0.8° |
| C44 | C45 | C46 | H451 | 180.0° | 180.0° |
| C44 | C45 | C46 | O47 | 179.9° | 179.9° |
| C02 | C18 | C03 | H182 | 120.2° | 120.2° |
| C02 | C18 | C03 | H181 | 120.1° | 120.1° |
| C02 | C18 | C03 | C19 | 171.5° | 171.5° |
| C02 | C18 | C03 | H031 | 51.8° | 51.8° |
| C02 | C18 | C03 | H032 | 68.7° | 68.7° |
| C02 | C18 | H182 | H181 | 119.6° | 119.6° |
| C18 | C02 | N35 | H351 | 17.0° | 17.0° |
| O31 | S29 | C32 | C33 | 150.9° | 150.9° |
| O31 | S29 | C32 | C34 | 83.3° | 83.3° |
| O31 | S29 | C32 | C53 | 62.4° | 62.4° |
| O31 | S29 | N28 | H1 | 117.6° | 117.6° |
| S29 | C32 | C33 | C34 | 104.1° | 104.1° |
| S29 | C32 | C33 | C53 | 146.3° | 146.3° |
| S29 | C32 | C34 | C53 | 144.8° | 144.8° |
| S29 | C32 | C33 | H332 | 5.3° | 5.3° |
| S29 | C32 | C33 | H331 | 146.5° | 146.5° |
| S29 | C32 | C34 | H341 | 1.5° | 1.5° |
| S29 | C32 | C34 | H342 | 142.6° | 142.6° |
| S29 | C32 | C53 | H532 | 180.0° | 180.0° |
| S29 | C32 | C53 | H531 | 60.0° | 60.0° |
| S29 | C32 | C53 | H533 | 60.0° | 60.0° |
| C32 | S29 | N28 | H1 | 4.4° | 4.4° |
| C18 | C03 | C19 | C04 | 106.4° | 106.4° |
| C18 | C03 | C19 | H031 | 119.8° | 119.8° |
| C18 | C03 | C19 | H032 | 119.8° | 119.8° |
| C03 | C18 | C02 | H021 | 55.3° | 55.3° |
| C18 | C03 | H031 | H032 | 120.7° | 120.7° |
| C03 | C18 | H182 | H181 | 119.6° | 119.6° |
| C18 | C03 | C19 | H192 | 13.6° | 13.6° |
| C18 | C03 | C19 | H191 | 133.6° | 133.6° |
| C13 | C12 | C01 | H121 | 125.9° | 125.9° |
| C12 | C13 | H132 | H131 | 124.5° | 124.5° |
| C13 | C12 | C01 | H012 | 162.3° | 162.3° |
| C13 | C12 | C01 | H011 | 74.0° | 74.0° |
| C12 | C13 | C14 | H141 | 85.7° | 85.7° |
| C45 | C46 | O47 | C48 | 10.8° | 10.8° |
| C45 | C46 | C49 | H491 | 179.3° | 179.3° |
| O47 | C46 | C45 | H451 | 0.1° | 0.1° |
| C46 | O47 | C48 | H481 | 180.0° | 180.0° |
| C46 | O47 | C48 | H483 | 60.0° | 60.0° |
| C46 | O47 | C48 | H482 | 60.0° | 60.0° |
| O47 | C46 | C49 | H491 | 0.3° | 0.3° |
| C01 | C12 | C13 | H132 | 71.4° | 71.4° |
| C01 | C12 | C13 | H131 | 165.4° | 165.4° |
| C12 | C01 | H012 | H011 | 125.1° | 125.1° |
| C32 | C33 | C34 | H332 | 109.4° | 109.4° |
| C32 | C33 | C34 | H331 | 109.4° | 109.4° |
| C33 | C32 | C34 | C53 | 107.3° | 107.3° |
| C32 | C33 | H332 | H331 | 144.8° | 144.8° |
| C32 | C33 | C34 | H341 | 109.4° | 109.4° |
| C32 | C33 | C34 | H342 | 109.5° | 109.4° |
| C33 | C32 | C53 | H532 | 33.7° | 33.7° |
| C33 | C32 | C53 | H531 | 86.4° | 86.3° |
| C33 | C32 | C53 | H533 | 153.6° | 153.6° |
| C34 | C33 | H332 | H331 | 144.8° | 144.8° |
| C33 | C34 | H341 | H342 | 144.8° | 144.8° |
| C04 | C19 | C03 | H192 | 120.0° | 120.0° |
| C04 | C19 | C03 | H191 | 120.0° | 120.0° |
| C19 | C04 | C20 | H202 | 68.8° | 68.8° |
| C19 | C04 | C20 | H201 | 51.0° | 51.0° |
| C04 | C19 | C03 | H031 | 13.4° | 13.4° |
| C04 | C19 | C03 | H032 | 133.8° | 133.8° |
| C19 | C04 | H041 | H042 | 119.8° | 119.9° |
| C04 | C19 | H192 | H191 | 120.0° | 120.0° |
| C32 | C34 | H341 | H342 | 144.8° | 144.8° |
| C34 | C32 | C53 | H532 | 36.0° | 36.0° |
| C34 | C32 | C53 | H531 | 156.1° | 156.0° |
| C34 | C32 | C53 | H533 | 83.9° | 83.9° |
| C53 | C32 | C33 | H332 | 141.0° | 141.0° |
| C53 | C32 | C33 | H331 | 0.1° | 0.1° |
| C53 | C32 | C34 | H341 | 143.3° | 143.3° |
| C53 | C32 | C34 | H342 | 2.1° | 2.2° |
| C32 | C53 | H532 | H531 | 120.0° | 120.0° |
| C32 | C53 | H532 | H533 | 120.0° | 120.0° |
| C32 | C53 | H531 | H533 | 120.0° | 120.0° |
| C19 | C03 | H031 | H032 | 120.7° | 120.7° |
| C03 | C19 | C04 | H041 | 168.2° | 168.2° |
| C03 | C19 | C04 | H042 | 48.3° | 48.3° |
| C19 | C03 | C18 | H182 | 68.4° | 68.4° |
| C19 | C03 | C18 | H181 | 51.4° | 51.4° |
| C03 | C19 | H192 | H191 | 120.0° | 120.0° |
| O47 | C48 | H481 | H483 | 120.0° | 120.0° |
| O47 | C48 | H481 | H482 | 120.0° | 120.0° |
| O47 | C48 | H483 | H482 | 120.0° | 120.0° |
| H132 | C13 | C12 | H121 | 51.2° | 51.2° |
| H132 | C13 | C14 | H141 | 155.9° | 155.9° |
| H131 | C13 | C12 | H121 | 72.0° | 72.0° |
| H131 | C13 | C14 | H141 | 32.8° | 32.8° |
| H202 | C20 | C21 | H211 | 178.8° | 178.8° |
| H202 | C20 | C04 | H041 | 171.1° | 171.1° |
| H202 | C20 | C04 | H042 | 51.2° | 51.3° |
| H201 | C20 | C21 | H211 | 61.4° | 61.4° |
| H201 | C20 | C04 | H041 | 69.1° | 69.1° |
| H201 | C20 | C04 | H042 | 171.0° | 171.0° |
| H211 | C21 | C05 | H051 | 1.4° | 1.4° |
| H012 | C01 | C12 | H121 | 71.7° | 71.7° |
| H011 | C01 | C12 | H121 | 51.9° | 51.9° |
| H021 | C02 | C18 | H182 | 64.8° | 64.8° |
| H021 | C02 | C18 | H181 | 175.4° | 175.4° |
| H021 | C02 | N35 | H351 | 138.1° | 138.1° |
| H031 | C03 | C18 | H182 | 171.9° | 171.9° |
| H031 | C03 | C18 | H181 | 68.4° | 68.4° |
| H031 | C03 | C19 | H192 | 133.4° | 133.4° |
| H031 | C03 | C19 | H191 | 106.7° | 106.7° |
| H032 | C03 | C18 | H182 | 51.4° | 51.4° |
| H032 | C03 | C18 | H181 | 171.1° | 171.1° |
| H032 | C03 | C19 | H192 | 106.2° | 106.2° |
| H032 | C03 | C19 | H191 | 13.8° | 13.8° |
| H041 | C04 | C19 | H192 | 71.8° | 71.8° |
| H041 | C04 | C19 | H191 | 48.2° | 48.2° |
| H042 | C04 | C19 | H192 | 168.3° | 168.3° |
| H042 | C04 | C19 | H191 | 71.7° | 71.7° |
| H051 | C05 | C06 | H061 | 151.1° | 151.1° |
| H061 | C06 | C07 | H071 | 149.8° | 149.8° |
| H061 | C06 | C07 | H072 | 8.5° | 8.4° |
| H081 | C08 | H083 | H082 | 120.0° | 120.0° |
| H332 | C33 | C34 | H341 | 0.0° | 0.0° |
| H332 | C33 | C34 | H342 | 141.1° | 141.2° |
| H331 | C33 | C34 | H341 | 141.1° | 141.1° |
| H331 | C33 | C34 | H342 | 0.0° | 0.0° |
| H403 | C40 | H402 | H401 | 120.0° | 120.0° |
| H411 | C41 | H412 | H413 | 120.0° | 120.0° |
| H423 | C42 | H422 | H421 | 120.0° | 120.0° |
| H481 | C48 | H483 | H482 | 120.0° | 120.0° |
| H491 | C49 | C50 | H501 | 0.3° | 0.3° |
| H532 | C53 | H531 | H533 | 120.0° | 119.9° |
