9I4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C49 | C48 | sing | 1.51Å | 1.60Å | |
| C48 | C47 | doub | 1.37Å | 1.42Å | Aromatic |
| C48 | C50 | sing | 1.39Å | 1.43Å | Aromatic |
| O45 | C43 | doub | 1.21Å | 1.29Å | |
| C47 | C46 | sing | 1.40Å | 1.40Å | Aromatic |
| C50 | C51 | doub | 1.38Å | 1.43Å | Aromatic |
| C42 | C43 | sing | 1.51Å | 1.59Å | |
| C42 | C41 | sing | 1.51Å | 1.56Å | |
| C43 | O44 | sing | 1.34Å | 1.26Å | |
| C46 | C41 | sing | 1.46Å | 1.44Å | Aromatic |
| C46 | C52 | doub | 1.41Å | 1.30Å | Aromatic |
| C41 | C40 | doub | 1.36Å | 1.46Å | Aromatic |
| C51 | C52 | sing | 1.39Å | 1.39Å | Aromatic |
| C52 | O53 | sing | 1.35Å | 1.32Å | Aromatic |
| C40 | O53 | sing | 1.35Å | 1.34Å | Aromatic |
| C40 | C39 | sing | 1.43Å | 1.50Å | |
| C39 | C38 | trip | 1.17Å | 1.16Å | |
| C38 | C37 | sing | 1.43Å | 1.52Å | |
| C54 | C37 | doub | 1.40Å | 1.38Å | Aromatic |
| C54 | C55 | sing | 1.38Å | 1.38Å | Aromatic |
| C37 | C36 | sing | 1.40Å | 1.41Å | Aromatic |
| C55 | C56 | doub | 1.38Å | 1.39Å | Aromatic |
| C36 | C35 | doub | 1.39Å | 1.41Å | Aromatic |
| C56 | C35 | sing | 1.40Å | 1.38Å | Aromatic |
| C35 | C02 | sing | 1.48Å | 1.55Å | |
| C02 | O01 | doub | 1.22Å | 1.18Å | |
| C02 | N03 | sing | 1.35Å | 1.54Å | |
| N03 | C04 | sing | 1.46Å | 1.54Å | |
| C04 | C05 | sing | 1.53Å | 1.56Å | |
| C05 | N06 | sing | 1.47Å | 1.53Å | |
| N06 | C34 | sing | 1.47Å | 1.47Å | |
| N06 | C07 | sing | 1.47Å | 1.48Å | |
| C34 | C33 | sing | 1.53Å | 1.55Å | |
| C07 | C08 | sing | 1.53Å | 1.55Å | |
| C33 | N09 | sing | 1.47Å | 1.50Å | |
| C08 | N09 | sing | 1.47Å | 1.48Å | |
| N09 | C10 | sing | 1.47Å | 1.49Å | |
| C10 | C11 | sing | 1.51Å | 1.56Å | |
| C11 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.42Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | doub | 1.40Å | 1.41Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C30 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C14 | sing | 1.43Å | 1.55Å | |
| C14 | C15 | trip | 1.17Å | 1.21Å | |
| C15 | C16 | sing | 1.43Å | 1.55Å | |
| O29 | C16 | sing | 1.35Å | 1.32Å | Aromatic |
| O29 | C28 | sing | 1.35Å | 1.33Å | Aromatic |
| C16 | C17 | doub | 1.36Å | 1.42Å | Aromatic |
| O21 | C19 | doub | 1.21Å | 1.26Å | |
| C28 | C27 | doub | 1.39Å | 1.41Å | Aromatic |
| C28 | C22 | sing | 1.41Å | 1.36Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C22 | sing | 1.46Å | 1.45Å | Aromatic |
| C17 | C18 | sing | 1.51Å | 1.55Å | |
| C22 | C23 | doub | 1.40Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.53Å | |
| C19 | O20 | sing | 1.34Å | 1.26Å | |
| C26 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| C23 | C24 | sing | 1.37Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.08Å | 1.08Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C47 | H471 | sing | 1.08Å | 1.08Å | |
| C49 | H491 | sing | 1.09Å | 1.10Å | |
| C49 | H493 | sing | 1.09Å | 1.10Å | |
| C49 | H492 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.08Å | 1.08Å | |
| C51 | H511 | sing | 1.08Å | 1.08Å | |
| C54 | H541 | sing | 1.08Å | 1.08Å | |
| C55 | H551 | sing | 1.08Å | 1.08Å | |
| C56 | H561 | sing | 1.08Å | 1.08Å | |
| N03 | H031 | sing | 0.97Å | 1.00Å | |
| O20 | H3 | sing | 0.97Å | 0.95Å | |
| O44 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C49 | C48 | C47 | 119.8° | 119.8° |
| C49 | C48 | C50 | 118.3° | 119.8° |
| C48 | C49 | H491 | 109.5° | 109.5° |
| C48 | C49 | H493 | 109.5° | 109.5° |
| C48 | C49 | H492 | 109.5° | 109.5° |
| C47 | C48 | C50 | 121.9° | 120.4° |
| C48 | C47 | C46 | 111.4° | 119.7° |
| C48 | C47 | H471 | 124.3° | 120.2° |
| C48 | C50 | C51 | 122.3° | 120.7° |
| C48 | C50 | H501 | 118.8° | 119.6° |
| O45 | C43 | C42 | 121.4° | 120.0° |
| O45 | C43 | O44 | 119.9° | 120.0° |
| C47 | C46 | C41 | 123.8° | 134.1° |
| C47 | C46 | C52 | 127.0° | 120.1° |
| C46 | C47 | H471 | 124.3° | 120.2° |
| C50 | C51 | C52 | 112.1° | 119.8° |
| C51 | C50 | H501 | 118.9° | 119.6° |
| C50 | C51 | H511 | 124.0° | 120.1° |
| C43 | C42 | C41 | 109.1° | 109.4° |
| C42 | C43 | O44 | 118.7° | 120.0° |
| C43 | C42 | H422 | 109.6° | 109.4° |
| C43 | C42 | H421 | 109.6° | 109.5° |
| C42 | C41 | C46 | 127.4° | 127.0° |
| C42 | C41 | C40 | 132.9° | 127.0° |
| C41 | C42 | H422 | 109.6° | 109.5° |
| C41 | C42 | H421 | 109.6° | 109.5° |
| C43 | O44 | H4 | 109.5° | 117.0° |
| C41 | C46 | C52 | 109.2° | 105.7° |
| C46 | C41 | C40 | 99.7° | 106.0° |
| C46 | C52 | C51 | 125.4° | 119.2° |
| C46 | C52 | O53 | 114.1° | 107.7° |
| C41 | C40 | O53 | 111.2° | 109.8° |
| C41 | C40 | C39 | 127.3° | 125.1° |
| C51 | C52 | O53 | 120.4° | 133.2° |
| C52 | C51 | H511 | 124.0° | 120.1° |
| C52 | O53 | C40 | 105.7° | 110.8° |
| O53 | C40 | C39 | 121.4° | 125.1° |
| C40 | C39 | C38 | 177.1° | 180.0° |
| C39 | C38 | C37 | 175.1° | 179.9° |
| C38 | C37 | C54 | 115.7° | 120.1° |
| C38 | C37 | C36 | 126.1° | 120.1° |
| C37 | C54 | C55 | 121.1° | 120.2° |
| C54 | C37 | C36 | 118.1° | 119.8° |
| C37 | C54 | H541 | 119.5° | 119.9° |
| C54 | C55 | C56 | 120.6° | 120.3° |
| C55 | C54 | H541 | 119.5° | 119.9° |
| C54 | C55 | H551 | 119.7° | 119.9° |
| C37 | C36 | C35 | 120.9° | 119.7° |
| C37 | C36 | H361 | 119.5° | 120.1° |
| C55 | C56 | C35 | 120.4° | 120.2° |
| C56 | C55 | H551 | 119.7° | 119.8° |
| C55 | C56 | H561 | 119.8° | 119.9° |
| C36 | C35 | C56 | 118.8° | 119.8° |
| C36 | C35 | C02 | 123.8° | 120.1° |
| C35 | C36 | H361 | 119.5° | 120.2° |
| C56 | C35 | C02 | 117.4° | 120.1° |
| C35 | C56 | H561 | 119.8° | 119.8° |
| C35 | C02 | O01 | 118.3° | 120.0° |
| C35 | C02 | N03 | 123.3° | 120.0° |
| O01 | C02 | N03 | 118.4° | 120.0° |
| C02 | N03 | C04 | 121.5° | 120.0° |
| C02 | N03 | H031 | 119.3° | 120.0° |
| N03 | C04 | C05 | 117.6° | 109.5° |
| N03 | C04 | H042 | 107.4° | 109.5° |
| N03 | C04 | H041 | 107.4° | 109.5° |
| C04 | N03 | H031 | 119.3° | 120.0° |
| C04 | C05 | N06 | 114.3° | 109.5° |
| C05 | C04 | H042 | 107.4° | 109.5° |
| C05 | C04 | H041 | 107.4° | 109.4° |
| C04 | C05 | H051 | 108.2° | 109.5° |
| C04 | C05 | H052 | 108.3° | 109.5° |
| C05 | N06 | C34 | 113.8° | 111.0° |
| C05 | N06 | C07 | 114.2° | 111.0° |
| N06 | C05 | H051 | 108.2° | 109.4° |
| N06 | C05 | H052 | 108.2° | 109.4° |
| C34 | N06 | C07 | 105.6° | 110.8° |
| N06 | C34 | C33 | 112.8° | 109.4° |
| N06 | C34 | H342 | 108.7° | 109.5° |
| N06 | C34 | H341 | 108.6° | 109.5° |
| N06 | C07 | C08 | 112.7° | 109.4° |
| N06 | C07 | H072 | 108.6° | 109.5° |
| N06 | C07 | H071 | 108.7° | 109.5° |
| C34 | C33 | N09 | 117.9° | 109.4° |
| C34 | C33 | H332 | 107.3° | 109.5° |
| C34 | C33 | H331 | 107.3° | 109.5° |
| C33 | C34 | H342 | 108.6° | 109.5° |
| C33 | C34 | H341 | 108.6° | 109.5° |
| C07 | C08 | N09 | 117.9° | 109.3° |
| C08 | C07 | H072 | 108.7° | 109.5° |
| C08 | C07 | H071 | 108.6° | 109.5° |
| C07 | C08 | H082 | 107.3° | 109.5° |
| C07 | C08 | H081 | 107.3° | 109.5° |
| C33 | N09 | C08 | 112.9° | 110.9° |
| C33 | N09 | C10 | 108.9° | 111.0° |
| N09 | C33 | H332 | 107.3° | 109.5° |
| N09 | C33 | H331 | 107.3° | 109.5° |
| C08 | N09 | C10 | 109.9° | 111.0° |
| N09 | C08 | H082 | 107.3° | 109.4° |
| N09 | C08 | H081 | 107.3° | 109.5° |
| N09 | C10 | C11 | 116.3° | 109.5° |
| N09 | C10 | H101 | 107.7° | 109.5° |
| N09 | C10 | H102 | 107.7° | 109.5° |
| C10 | C11 | C32 | 118.6° | 119.9° |
| C10 | C11 | C12 | 122.5° | 119.9° |
| C11 | C10 | H101 | 107.7° | 109.5° |
| C11 | C10 | H102 | 107.7° | 109.5° |
| C32 | C11 | C12 | 118.9° | 120.2° |
| C11 | C32 | C31 | 120.2° | 120.3° |
| C11 | C32 | H321 | 119.9° | 119.8° |
| C11 | C12 | C13 | 121.1° | 119.8° |
| C11 | C12 | H121 | 119.4° | 120.1° |
| C32 | C31 | C30 | 120.8° | 120.2° |
| C32 | C31 | H311 | 119.6° | 119.9° |
| C31 | C32 | H321 | 119.9° | 119.9° |
| C12 | C13 | C30 | 118.1° | 119.7° |
| C12 | C13 | C14 | 125.4° | 120.1° |
| C13 | C12 | H121 | 119.4° | 120.1° |
| C31 | C30 | C13 | 120.9° | 119.8° |
| C31 | C30 | H301 | 119.5° | 120.1° |
| C30 | C31 | H311 | 119.6° | 119.9° |
| C30 | C13 | C14 | 116.5° | 120.2° |
| C13 | C30 | H301 | 119.5° | 120.1° |
| C13 | C14 | C15 | 176.4° | 179.9° |
| C14 | C15 | C16 | 177.9° | 179.9° |
| C15 | C16 | O29 | 123.3° | 125.2° |
| C15 | C16 | C17 | 128.0° | 125.1° |
| C16 | O29 | C28 | 110.4° | 111.0° |
| O29 | C16 | C17 | 108.7° | 109.7° |
| O29 | C28 | C27 | 128.1° | 133.3° |
| O29 | C28 | C22 | 111.0° | 107.6° |
| C16 | C17 | C22 | 104.4° | 106.1° |
| C16 | C17 | C18 | 130.0° | 126.9° |
| O21 | C19 | C18 | 118.9° | 120.0° |
| O21 | C19 | O20 | 119.8° | 120.1° |
| C27 | C28 | C22 | 120.9° | 119.2° |
| C28 | C27 | C26 | 118.4° | 119.9° |
| C28 | C27 | H271 | 120.8° | 120.1° |
| C28 | C22 | C17 | 105.5° | 105.8° |
| C28 | C22 | C23 | 121.7° | 120.1° |
| C27 | C26 | C24 | 120.7° | 120.7° |
| C27 | C26 | H261 | 119.7° | 119.7° |
| C26 | C27 | H271 | 120.8° | 120.0° |
| C22 | C17 | C18 | 125.6° | 127.0° |
| C17 | C22 | C23 | 132.8° | 134.2° |
| C17 | C18 | C19 | 109.8° | 109.4° |
| C17 | C18 | H181 | 109.4° | 109.5° |
| C17 | C18 | H182 | 109.4° | 109.5° |
| C22 | C23 | C24 | 118.2° | 119.7° |
| C22 | C23 | H231 | 120.9° | 120.1° |
| C18 | C19 | O20 | 121.3° | 120.0° |
| C19 | C18 | H181 | 109.4° | 109.5° |
| C19 | C18 | H182 | 109.4° | 109.5° |
| C19 | O20 | H3 | 109.5° | 116.9° |
| C26 | C24 | C23 | 120.1° | 120.4° |
| C26 | C24 | C25 | 119.8° | 119.8° |
| C24 | C26 | H261 | 119.7° | 119.6° |
| C23 | C24 | C25 | 120.1° | 119.8° |
| C24 | C23 | H231 | 120.9° | 120.1° |
| C24 | C25 | H253 | 109.5° | 109.5° |
| C24 | C25 | H252 | 109.5° | 109.5° |
| C24 | C25 | H251 | 109.4° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.4° |
| H042 | C04 | H041 | 109.5° | 109.5° |
| H051 | C05 | H052 | 109.5° | 109.5° |
| H072 | C07 | H071 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.5° | 109.6° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| H253 | C25 | H252 | 109.4° | 109.5° |
| H253 | C25 | H251 | 109.5° | 109.5° |
| H252 | C25 | H251 | 109.5° | 109.5° |
| H332 | C33 | H331 | 109.5° | 109.5° |
| H342 | C34 | H341 | 109.5° | 109.5° |
| H422 | C42 | H421 | 109.5° | 109.5° |
| H491 | C49 | H493 | 109.4° | 109.5° |
| H491 | C49 | H492 | 109.5° | 109.4° |
| H493 | C49 | H492 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C49 | C48 | C47 | C50 | 179.8° | 180.0° |
| C49 | C48 | C47 | C46 | 179.8° | 179.9° |
| C49 | C48 | C50 | C51 | 179.8° | 180.0° |
| C49 | C48 | C47 | H471 | 0.2° | 0.1° |
| C48 | C49 | H491 | H493 | 120.0° | 120.0° |
| C48 | C49 | H491 | H492 | 120.0° | 120.0° |
| C48 | C49 | H493 | H492 | 120.0° | 120.0° |
| C49 | C48 | C50 | H501 | 0.2° | 0.1° |
| C48 | C47 | C46 | H471 | 180.0° | 180.0° |
| C47 | C48 | C50 | C51 | 0.0° | 0.0° |
| C48 | C47 | C46 | C41 | 179.9° | 180.0° |
| C48 | C47 | C46 | C52 | 0.0° | 0.1° |
| C47 | C48 | C49 | H491 | 90.1° | 90.0° |
| C47 | C48 | C49 | H493 | 149.9° | 150.0° |
| C47 | C48 | C49 | H492 | 29.9° | 30.0° |
| C47 | C48 | C50 | H501 | 180.0° | 180.0° |
| C50 | C48 | C47 | C46 | 0.1° | 0.0° |
| C48 | C50 | C51 | H501 | 180.0° | 180.0° |
| C48 | C50 | C51 | C52 | 0.0° | 0.0° |
| C50 | C48 | C47 | H471 | 179.9° | 180.0° |
| C50 | C48 | C49 | H491 | 90.1° | 90.0° |
| C50 | C48 | C49 | H493 | 29.9° | 30.1° |
| C50 | C48 | C49 | H492 | 149.9° | 150.1° |
| C48 | C50 | C51 | H511 | 180.0° | 179.9° |
| O45 | C43 | C42 | O44 | 179.1° | 180.0° |
| O45 | C43 | C42 | C41 | 119.4° | 0.0° |
| O45 | C43 | C42 | H422 | 120.6° | 120.0° |
| O45 | C43 | C42 | H421 | 0.5° | 120.0° |
| O45 | C43 | O44 | H4 | 0.0° | 0.0° |
| C47 | C46 | C41 | C42 | 0.8° | 0.1° |
| C47 | C46 | C41 | C52 | 180.0° | 179.9° |
| C47 | C46 | C41 | C40 | 180.0° | 179.9° |
| C47 | C46 | C52 | C51 | 0.0° | 0.0° |
| C47 | C46 | C52 | O53 | 179.9° | 179.9° |
| C50 | C51 | C52 | C46 | 0.1° | 0.0° |
| C50 | C51 | C52 | H511 | 180.0° | 180.0° |
| C50 | C51 | C52 | O53 | 179.9° | 180.0° |
| C43 | C42 | C41 | H422 | 119.9° | 119.9° |
| C43 | C42 | C41 | H421 | 119.9° | 120.0° |
| C43 | C42 | C41 | C46 | 71.9° | 90.0° |
| C43 | C42 | C41 | C40 | 107.2° | 90.0° |
| C43 | C42 | H422 | H421 | 120.2° | 120.0° |
| C42 | C43 | O44 | H4 | 179.1° | 179.9° |
| C41 | C42 | C43 | O44 | 59.7° | 180.0° |
| C42 | C41 | C46 | C40 | 179.3° | 180.0° |
| C42 | C41 | C46 | C52 | 179.3° | 180.0° |
| C42 | C41 | C40 | O53 | 179.1° | 180.0° |
| C42 | C41 | C40 | C39 | 1.0° | 0.3° |
| C41 | C42 | H422 | H421 | 120.2° | 120.0° |
| O44 | C43 | C42 | H422 | 60.2° | 60.0° |
| O44 | C43 | C42 | H421 | 179.6° | 60.0° |
| C41 | C46 | C52 | C51 | 180.0° | 180.0° |
| C41 | C46 | C52 | O53 | 0.2° | 0.0° |
| C46 | C41 | C40 | O53 | 0.1° | 0.0° |
| C46 | C41 | C40 | C39 | 179.8° | 179.7° |
| C46 | C41 | C42 | H422 | 168.2° | 29.9° |
| C46 | C41 | C42 | H421 | 48.0° | 150.0° |
| C41 | C46 | C47 | H471 | 0.1° | 0.1° |
| C52 | C46 | C41 | C40 | 0.0° | 0.0° |
| C46 | C52 | C51 | O53 | 179.9° | 180.0° |
| C46 | C52 | O53 | C40 | 0.3° | 0.0° |
| C52 | C46 | C47 | H471 | 179.9° | 180.0° |
| C46 | C52 | C51 | H511 | 180.0° | 180.0° |
| C41 | C40 | O53 | C52 | 0.2° | 0.0° |
| C41 | C40 | O53 | C39 | 179.9° | 179.7° |
| C41 | C40 | C39 | C38 | 116.1° | 39.1° |
| C40 | C41 | C42 | H422 | 12.8° | 150.0° |
| C40 | C41 | C42 | H421 | 132.9° | 30.0° |
| C51 | C52 | O53 | C40 | 179.9° | 180.0° |
| C52 | C51 | C50 | H501 | 179.9° | 180.0° |
| C52 | O53 | C40 | C39 | 179.7° | 179.7° |
| O53 | C52 | C51 | H511 | 0.1° | 0.0° |
| O53 | C40 | C39 | C38 | 64.0° | 140.6° |
| C40 | C39 | C38 | C37 | 77.3° | 125.9° |
| C39 | C38 | C37 | C54 | 35.2° | 14.8° |
| C39 | C38 | C37 | C36 | 145.1° | 165.3° |
| C38 | C37 | C54 | C36 | 179.8° | 179.9° |
| C38 | C37 | C54 | C55 | 179.4° | 180.0° |
| C38 | C37 | C36 | C35 | 179.5° | 180.0° |
| C38 | C37 | C36 | H361 | 0.5° | 0.1° |
| C38 | C37 | C54 | H541 | 0.5° | 0.1° |
| C37 | C54 | C55 | H541 | 180.0° | 179.9° |
| C37 | C54 | C55 | C56 | 0.0° | 0.2° |
| C54 | C37 | C36 | C35 | 0.2° | 0.1° |
| C54 | C37 | C36 | H361 | 179.8° | 179.9° |
| C37 | C54 | C55 | H551 | 179.9° | 180.0° |
| C55 | C54 | C37 | C36 | 0.3° | 0.1° |
| C54 | C55 | C56 | H551 | 180.0° | 179.7° |
| C54 | C55 | C56 | C35 | 0.4° | 0.5° |
| C54 | C55 | C56 | H561 | 179.7° | 180.0° |
| C37 | C36 | C35 | H361 | 180.0° | 179.9° |
| C37 | C36 | C35 | C56 | 0.2° | 0.3° |
| C37 | C36 | C35 | C02 | 179.9° | 180.0° |
| C36 | C37 | C54 | H541 | 179.7° | 180.0° |
| C55 | C56 | C35 | C36 | 0.5° | 0.6° |
| C55 | C56 | C35 | H561 | 180.0° | 179.4° |
| C55 | C56 | C35 | C02 | 179.8° | 179.7° |
| C56 | C55 | C54 | H541 | 180.0° | 179.7° |
| C36 | C35 | C56 | C02 | 179.7° | 179.7° |
| C36 | C35 | C02 | O01 | 19.3° | 0.1° |
| C36 | C35 | C02 | N03 | 160.7° | 180.0° |
| C36 | C35 | C56 | H561 | 179.6° | 180.0° |
| C56 | C35 | C02 | O01 | 160.5° | 179.7° |
| C56 | C35 | C02 | N03 | 19.6° | 0.3° |
| C56 | C35 | C36 | H361 | 179.8° | 179.8° |
| C35 | C56 | C55 | H551 | 179.6° | 179.7° |
| C35 | C02 | O01 | N03 | 179.9° | 180.0° |
| C35 | C02 | N03 | C04 | 179.8° | 180.0° |
| C02 | C35 | C36 | H361 | 0.1° | 0.1° |
| C02 | C35 | C56 | H561 | 0.2° | 0.3° |
| C35 | C02 | N03 | H031 | 0.2° | 0.0° |
| O01 | C02 | N03 | C04 | 0.3° | 0.0° |
| O01 | C02 | N03 | H031 | 179.7° | 179.9° |
| C02 | N03 | C04 | H031 | 180.0° | 179.9° |
| C02 | N03 | C04 | C05 | 170.8° | 180.0° |
| C02 | N03 | C04 | H042 | 68.0° | 60.0° |
| C02 | N03 | C04 | H041 | 49.7° | 60.1° |
| N03 | C04 | C05 | H042 | 121.1° | 120.0° |
| N03 | C04 | C05 | H041 | 121.2° | 120.0° |
| N03 | C04 | C05 | N06 | 172.6° | 180.0° |
| N03 | C04 | H042 | H041 | 116.3° | 120.0° |
| N03 | C04 | C05 | H051 | 51.9° | 60.0° |
| N03 | C04 | C05 | H052 | 66.7° | 60.0° |
| C04 | C05 | N06 | H051 | 120.7° | 120.0° |
| C04 | C05 | N06 | H052 | 120.7° | 120.0° |
| C04 | C05 | N06 | C34 | 118.1° | 170.0° |
| C04 | C05 | N06 | C07 | 120.6° | 66.2° |
| C05 | C04 | H042 | H041 | 116.4° | 120.0° |
| C04 | C05 | H051 | H052 | 117.8° | 120.0° |
| C05 | C04 | N03 | H031 | 9.1° | 0.0° |
| C05 | N06 | C34 | C07 | 126.0° | 123.9° |
| C05 | N06 | C34 | C33 | 172.6° | 176.8° |
| C05 | N06 | C07 | C08 | 172.8° | 176.8° |
| N06 | C05 | C04 | H042 | 66.3° | 60.0° |
| N06 | C05 | C04 | H041 | 51.4° | 60.0° |
| N06 | C05 | H051 | H052 | 117.8° | 120.0° |
| C05 | N06 | C07 | H072 | 52.3° | 63.2° |
| C05 | N06 | C07 | H071 | 66.7° | 56.8° |
| C05 | N06 | C34 | H342 | 66.9° | 56.8° |
| C05 | N06 | C34 | H341 | 52.1° | 63.2° |
| N06 | C34 | C33 | H342 | 120.5° | 120.0° |
| N06 | C34 | C33 | H341 | 120.5° | 120.0° |
| C34 | N06 | C07 | C08 | 61.4° | 59.3° |
| N06 | C34 | C33 | N09 | 47.2° | 58.4° |
| C34 | N06 | C05 | H051 | 121.2° | 70.0° |
| C34 | N06 | C05 | H052 | 2.6° | 50.0° |
| C34 | N06 | C07 | H072 | 178.1° | 60.7° |
| C34 | N06 | C07 | H071 | 59.1° | 179.3° |
| N06 | C34 | C33 | H332 | 168.4° | 178.4° |
| N06 | C34 | C33 | H331 | 74.0° | 61.6° |
| N06 | C34 | H342 | H341 | 118.5° | 120.0° |
| C07 | N06 | C34 | C33 | 61.3° | 59.3° |
| N06 | C07 | C08 | H072 | 120.5° | 120.0° |
| N06 | C07 | C08 | H071 | 120.5° | 120.0° |
| N06 | C07 | C08 | N09 | 47.3° | 58.4° |
| C07 | N06 | C05 | H051 | 0.1° | 53.8° |
| C07 | N06 | C05 | H052 | 118.7° | 173.8° |
| N06 | C07 | H072 | H071 | 118.5° | 120.0° |
| N06 | C07 | C08 | H082 | 73.9° | 61.5° |
| N06 | C07 | C08 | H081 | 168.5° | 178.4° |
| C07 | N06 | C34 | H342 | 59.1° | 179.3° |
| C07 | N06 | C34 | H341 | 178.2° | 60.7° |
| C34 | C33 | N09 | H332 | 121.2° | 120.0° |
| C34 | C33 | N09 | H331 | 121.2° | 120.0° |
| C34 | C33 | N09 | C08 | 28.2° | 59.3° |
| C34 | C33 | N09 | C10 | 150.5° | 176.8° |
| C34 | C33 | H332 | H331 | 116.2° | 120.1° |
| C33 | C34 | H342 | H341 | 118.5° | 120.0° |
| C07 | C08 | N09 | C33 | 28.3° | 59.3° |
| C07 | C08 | N09 | H082 | 121.2° | 119.9° |
| C07 | C08 | N09 | H081 | 121.2° | 120.0° |
| C07 | C08 | N09 | C10 | 150.0° | 176.8° |
| C08 | C07 | H072 | H071 | 118.5° | 120.1° |
| C07 | C08 | H082 | H081 | 116.2° | 120.1° |
| C33 | N09 | C08 | C10 | 121.8° | 123.9° |
| C33 | N09 | C10 | C11 | 140.5° | 66.2° |
| C33 | N09 | C10 | H101 | 19.5° | 173.8° |
| C33 | N09 | C10 | H102 | 98.5° | 53.9° |
| C33 | N09 | C08 | H082 | 92.9° | 60.6° |
| C33 | N09 | C08 | H081 | 149.4° | 179.3° |
| N09 | C33 | H332 | H331 | 116.2° | 120.0° |
| N09 | C33 | C34 | H342 | 73.3° | 178.4° |
| N09 | C33 | C34 | H341 | 167.7° | 61.6° |
| C08 | N09 | C10 | C11 | 95.3° | 170.0° |
| C08 | N09 | C10 | H101 | 143.7° | 49.9° |
| C08 | N09 | C10 | H102 | 25.7° | 70.0° |
| N09 | C08 | C07 | H072 | 167.8° | 61.6° |
| N09 | C08 | C07 | H071 | 73.2° | 178.4° |
| N09 | C08 | H082 | H081 | 116.2° | 120.1° |
| C08 | N09 | C33 | H332 | 149.4° | 179.3° |
| C08 | N09 | C33 | H331 | 93.1° | 60.7° |
| N09 | C10 | C11 | H101 | 121.0° | 120.0° |
| N09 | C10 | C11 | H102 | 121.0° | 120.1° |
| N09 | C10 | C11 | C32 | 14.2° | 90.1° |
| N09 | C10 | C11 | C12 | 165.8° | 90.8° |
| N09 | C10 | H101 | H102 | 116.9° | 120.0° |
| C10 | N09 | C08 | H082 | 28.8° | 63.3° |
| C10 | N09 | C08 | H081 | 88.8° | 56.9° |
| C10 | N09 | C33 | H332 | 88.3° | 56.8° |
| C10 | N09 | C33 | H331 | 29.3° | 63.2° |
| C10 | C11 | C32 | C12 | 180.0° | 179.2° |
| C10 | C11 | C32 | C31 | 179.7° | 180.0° |
| C10 | C11 | C12 | C13 | 179.8° | 179.8° |
| C11 | C10 | H101 | H102 | 116.9° | 120.0° |
| C10 | C11 | C12 | H121 | 0.2° | 0.3° |
| C10 | C11 | C32 | H321 | 0.3° | 0.8° |
| C11 | C32 | C31 | H321 | 180.0° | 179.1° |
| C32 | C11 | C12 | C13 | 0.2° | 0.6° |
| C11 | C32 | C31 | C30 | 0.3° | 0.6° |
| C32 | C11 | C10 | H101 | 106.8° | 149.9° |
| C32 | C11 | C10 | H102 | 135.2° | 30.0° |
| C32 | C11 | C12 | H121 | 179.8° | 179.5° |
| C11 | C32 | C31 | H311 | 179.7° | 179.4° |
| C12 | C11 | C32 | C31 | 0.3° | 0.9° |
| C11 | C12 | C13 | H121 | 180.0° | 179.9° |
| C11 | C12 | C13 | C30 | 0.1° | 0.1° |
| C11 | C12 | C13 | C14 | 179.9° | 179.7° |
| C12 | C11 | C10 | H101 | 73.2° | 29.3° |
| C12 | C11 | C10 | H102 | 44.8° | 149.2° |
| C12 | C11 | C32 | H321 | 179.7° | 180.0° |
| C32 | C31 | C30 | H311 | 180.0° | 180.0° |
| C32 | C31 | C30 | C13 | 0.1° | 0.0° |
| C32 | C31 | C30 | H301 | 179.9° | 180.0° |
| C12 | C13 | C30 | C31 | 0.0° | 0.2° |
| C12 | C13 | C30 | C14 | 179.9° | 179.8° |
| C12 | C13 | C14 | C15 | 172.0° | 62.9° |
| C12 | C13 | C30 | H301 | 180.0° | 179.8° |
| C31 | C30 | C13 | H301 | 180.0° | 180.0° |
| C31 | C30 | C13 | C14 | 179.9° | 180.0° |
| C30 | C31 | C32 | H321 | 179.7° | 179.7° |
| C30 | C13 | C14 | C15 | 8.1° | 116.9° |
| C30 | C13 | C12 | H121 | 179.9° | 179.9° |
| C13 | C30 | C31 | H311 | 179.9° | 180.0° |
| C13 | C14 | C15 | C16 | 103.3° | 168.4° |
| C14 | C13 | C12 | H121 | 0.1° | 0.1° |
| C14 | C13 | C30 | H301 | 0.1° | 0.0° |
| C14 | C15 | C16 | O29 | 16.5° | 51.1° |
| C14 | C15 | C16 | C17 | 163.2° | 128.5° |
| C15 | C16 | O29 | C17 | 179.8° | 179.6° |
| C15 | C16 | O29 | C28 | 179.6° | 179.9° |
| C15 | C16 | C17 | C22 | 179.6° | 179.9° |
| C15 | C16 | C17 | C18 | 0.8° | 0.2° |
| C16 | O29 | C28 | C27 | 179.9° | 179.7° |
| C16 | O29 | C28 | C22 | 0.4° | 0.3° |
| O29 | C16 | C17 | C22 | 0.6° | 0.4° |
| O29 | C16 | C17 | C18 | 179.4° | 179.8° |
| C28 | O29 | C16 | C17 | 0.6° | 0.4° |
| O29 | C28 | C27 | C22 | 179.7° | 180.0° |
| O29 | C28 | C27 | C26 | 179.9° | 180.0° |
| O29 | C28 | C22 | C17 | 0.0° | 0.0° |
| O29 | C28 | C22 | C23 | 180.0° | 179.9° |
| O29 | C28 | C27 | H271 | 0.1° | 0.0° |
| C16 | C17 | C22 | C28 | 0.4° | 0.3° |
| C16 | C17 | C22 | C18 | 178.9° | 179.7° |
| C16 | C17 | C22 | C23 | 179.7° | 179.8° |
| C16 | C17 | C18 | C19 | 107.8° | 90.3° |
| C16 | C17 | C18 | H181 | 132.1° | 29.7° |
| C16 | C17 | C18 | H182 | 12.2° | 149.7° |
| O21 | C19 | C18 | C17 | 66.2° | 0.0° |
| O21 | C19 | C18 | O20 | 179.1° | 180.0° |
| O21 | C19 | C18 | H181 | 173.7° | 120.0° |
| O21 | C19 | C18 | H182 | 53.8° | 120.0° |
| O21 | C19 | O20 | H3 | 0.0° | 0.0° |
| C28 | C27 | C26 | H271 | 180.0° | 180.0° |
| C27 | C28 | C22 | C17 | 179.7° | 180.0° |
| C27 | C28 | C22 | C23 | 0.2° | 0.1° |
| C28 | C27 | C26 | C24 | 0.1° | 0.1° |
| C28 | C27 | C26 | H261 | 180.0° | 179.9° |
| C22 | C28 | C27 | C26 | 0.2° | 0.0° |
| C28 | C22 | C17 | C23 | 179.9° | 179.9° |
| C28 | C22 | C17 | C18 | 179.2° | 180.0° |
| C28 | C22 | C23 | C24 | 0.1° | 0.1° |
| C28 | C22 | C23 | H231 | 179.9° | 180.0° |
| C22 | C28 | C27 | H271 | 179.8° | 180.0° |
| C27 | C26 | C24 | H261 | 180.0° | 180.0° |
| C27 | C26 | C24 | C23 | 0.0° | 0.1° |
| C27 | C26 | C24 | C25 | 180.0° | 180.0° |
| C22 | C17 | C18 | C19 | 70.7° | 90.0° |
| C17 | C22 | C23 | C24 | 179.8° | 180.0° |
| C22 | C17 | C18 | H181 | 49.3° | 150.0° |
| C22 | C17 | C18 | H182 | 169.2° | 30.0° |
| C17 | C22 | C23 | H231 | 0.2° | 0.1° |
| C18 | C17 | C22 | C23 | 0.8° | 0.1° |
| C17 | C18 | C19 | H181 | 120.1° | 120.0° |
| C17 | C18 | C19 | H182 | 120.0° | 120.0° |
| C17 | C18 | C19 | O20 | 112.9° | 180.0° |
| C17 | C18 | H181 | H182 | 119.9° | 120.0° |
| C22 | C23 | C24 | C26 | 0.0° | 0.0° |
| C22 | C23 | C24 | H231 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 179.9° | 179.9° |
| C19 | C18 | H181 | H182 | 119.9° | 120.0° |
| C18 | C19 | O20 | H3 | 179.1° | 180.0° |
| O20 | C19 | C18 | H181 | 7.1° | 60.1° |
| O20 | C19 | C18 | H182 | 127.0° | 60.0° |
| C26 | C24 | C23 | C25 | 180.0° | 179.9° |
| C26 | C24 | C23 | H231 | 180.0° | 180.0° |
| C26 | C24 | C25 | H253 | 90.0° | 90.0° |
| C26 | C24 | C25 | H252 | 150.0° | 150.0° |
| C26 | C24 | C25 | H251 | 30.0° | 30.0° |
| C24 | C26 | C27 | H271 | 179.9° | 179.9° |
| C23 | C24 | C26 | H261 | 180.0° | 179.9° |
| C23 | C24 | C25 | H253 | 90.0° | 90.1° |
| C23 | C24 | C25 | H252 | 30.0° | 29.9° |
| C23 | C24 | C25 | H251 | 150.0° | 149.9° |
| C25 | C24 | C26 | H261 | 0.0° | 0.0° |
| C25 | C24 | C23 | H231 | 0.0° | 0.0° |
| C24 | C25 | H253 | H252 | 120.0° | 120.0° |
| C24 | C25 | H253 | H251 | 120.0° | 120.0° |
| C24 | C25 | H252 | H251 | 120.0° | 120.0° |
| H261 | C26 | C27 | H271 | 0.1° | 0.1° |
| H042 | C04 | C05 | H051 | 173.0° | 60.0° |
| H042 | C04 | C05 | H052 | 54.5° | 180.0° |
| H042 | C04 | N03 | H031 | 112.0° | 120.0° |
| H041 | C04 | C05 | H051 | 69.3° | 180.0° |
| H041 | C04 | C05 | H052 | 172.2° | 60.0° |
| H041 | C04 | N03 | H031 | 130.3° | 120.0° |
| H072 | C07 | C08 | H082 | 46.6° | 178.5° |
| H072 | C07 | C08 | H081 | 71.0° | 58.4° |
| H071 | C07 | C08 | H082 | 165.6° | 58.5° |
| H071 | C07 | C08 | H081 | 48.0° | 61.7° |
| H253 | C25 | H252 | H251 | 120.0° | 120.0° |
| H301 | C30 | C31 | H311 | 0.2° | 0.0° |
| H311 | C31 | C32 | H321 | 0.3° | 0.3° |
| H332 | C33 | C34 | H342 | 47.9° | 61.7° |
| H332 | C33 | C34 | H341 | 71.1° | 58.4° |
| H331 | C33 | C34 | H342 | 165.5° | 58.4° |
| H331 | C33 | C34 | H341 | 46.5° | 178.4° |
| H491 | C49 | H493 | H492 | 120.0° | 119.9° |
| H501 | C50 | C51 | H511 | 0.0° | 0.0° |
| H541 | C54 | C55 | H551 | 0.0° | 0.0° |
| H551 | C55 | C56 | H561 | 0.3° | 0.3° |
