OQP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | O23 | sing | 1.45Å | 1.40Å | |
| O22 | C24 | doub | 1.22Å | 1.19Å | |
| O23 | C24 | sing | 1.35Å | 1.40Å | |
| C24 | N25 | sing | 1.35Å | 1.45Å | |
| C20 | C19 | doub | 1.38Å | 1.53Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.53Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.52Å | Aromatic |
| C03 | C04 | sing | 1.55Å | 1.59Å | |
| C03 | C26 | sing | 1.54Å | 1.59Å | |
| O35 | C40 | sing | 1.43Å | 1.40Å | |
| C04 | C05 | sing | 1.55Å | 1.37Å | |
| C41 | C21 | sing | 1.51Å | 1.52Å | |
| C41 | C43 | sing | 1.53Å | 1.53Å | |
| N44 | C43 | sing | 1.47Å | 1.45Å | |
| N44 | C28 | sing | 1.35Å | 1.45Å | |
| N25 | C26 | sing | 1.46Å | 1.46Å | |
| C42 | C40 | sing | 1.53Å | 1.53Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C21 | C16 | doub | 1.38Å | 1.53Å | Aromatic |
| C40 | C39 | sing | 1.53Å | 1.52Å | |
| C26 | C28 | sing | 1.51Å | 1.56Å | |
| C26 | C06 | sing | 1.54Å | 1.38Å | |
| C18 | C17 | doub | 1.38Å | 1.52Å | Aromatic |
| C05 | C06 | sing | 1.54Å | 1.66Å | |
| C28 | O27 | doub | 1.21Å | 1.18Å | |
| C16 | C17 | sing | 1.38Å | 1.52Å | Aromatic |
| C39 | C34 | sing | 1.53Å | 1.53Å | |
| C39 | N38 | sing | 1.46Å | 1.45Å | |
| C34 | C32 | sing | 1.51Å | 1.53Å | |
| N38 | C37 | sing | 1.35Å | 1.45Å | |
| C37 | O36 | sing | 1.35Å | 1.40Å | |
| C37 | O33 | doub | 1.22Å | 1.19Å | |
| C32 | C29 | doub | 1.38Å | 1.53Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.53Å | Aromatic |
| O36 | C15 | sing | 1.45Å | 1.35Å | |
| C29 | C30 | sing | 1.38Å | 1.53Å | Aromatic |
| C14 | O13 | sing | 1.44Å | 1.29Å | |
| C14 | C15 | sing | 1.54Å | 1.51Å | |
| O13 | C12 | sing | 1.44Å | 1.65Å | |
| C15 | C11 | sing | 1.54Å | 1.58Å | |
| C31 | C01 | doub | 1.38Å | 1.52Å | Aromatic |
| C09 | O10 | sing | 1.44Å | 1.50Å | |
| C09 | C08 | sing | 1.56Å | 1.26Å | |
| O10 | C12 | sing | 1.43Å | 1.53Å | |
| C30 | C02 | doub | 1.38Å | 1.51Å | Aromatic |
| C12 | C11 | sing | 1.55Å | 1.25Å | |
| C11 | C08 | sing | 1.55Å | 1.61Å | |
| C01 | C02 | sing | 1.38Å | 1.52Å | Aromatic |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.08Å | 1.08Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H073 | sing | 1.09Å | 1.10Å | |
| C08 | H082 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.08Å | 1.08Å | |
| C29 | H291 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| C42 | H422 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C43 | H431 | sing | 1.09Å | 1.10Å | |
| N25 | H251 | sing | 0.97Å | 1.00Å | |
| N38 | H381 | sing | 0.97Å | 1.00Å | |
| N44 | H441 | sing | 0.97Å | 1.00Å | |
| O35 | H351 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | O23 | C24 | 114.5° | 117.0° |
| O23 | C07 | H071 | 109.5° | 109.5° |
| O23 | C07 | H072 | 109.5° | 109.5° |
| O23 | C07 | H073 | 109.5° | 109.5° |
| O22 | C24 | O23 | 119.2° | 120.0° |
| O22 | C24 | N25 | 122.4° | 120.0° |
| O23 | C24 | N25 | 118.4° | 120.0° |
| C24 | N25 | C26 | 123.9° | 120.0° |
| C24 | N25 | H251 | 118.0° | 120.0° |
| C19 | C20 | C21 | 119.8° | 120.0° |
| C20 | C19 | C18 | 120.2° | 120.0° |
| C19 | C20 | H201 | 120.1° | 120.0° |
| C20 | C19 | H191 | 119.9° | 119.9° |
| C20 | C21 | C41 | 120.7° | 120.0° |
| C20 | C21 | C16 | 119.9° | 120.0° |
| C21 | C20 | H201 | 120.1° | 120.0° |
| C19 | C18 | C17 | 119.9° | 120.0° |
| C19 | C18 | H181 | 120.0° | 120.0° |
| C18 | C19 | H191 | 119.9° | 120.0° |
| C04 | C03 | C26 | 104.5° | 104.2° |
| C03 | C04 | C05 | 105.5° | 102.8° |
| C04 | C03 | H032 | 110.7° | 110.5° |
| C04 | C03 | H031 | 110.7° | 110.5° |
| C03 | C04 | H041 | 110.5° | 110.8° |
| C03 | C04 | H042 | 110.5° | 110.8° |
| C03 | C26 | N25 | 112.6° | 110.1° |
| C03 | C26 | C28 | 110.7° | 110.1° |
| C03 | C26 | C06 | 103.8° | 106.6° |
| C26 | C03 | H032 | 110.7° | 110.4° |
| C26 | C03 | H031 | 110.7° | 110.5° |
| O35 | C40 | C42 | 107.6° | 109.4° |
| O35 | C40 | C39 | 108.4° | 109.4° |
| O35 | C40 | H401 | 110.8° | 109.5° |
| C40 | O35 | H351 | 109.5° | 114.1° |
| C04 | C05 | C06 | 108.5° | 104.2° |
| C05 | C04 | H041 | 110.5° | 110.8° |
| C05 | C04 | H042 | 110.5° | 110.7° |
| C04 | C05 | H051 | 109.7° | 110.4° |
| C04 | C05 | H052 | 109.7° | 110.5° |
| C21 | C41 | C43 | 109.4° | 109.5° |
| C41 | C21 | C16 | 119.5° | 120.0° |
| C21 | C41 | H411 | 109.5° | 109.5° |
| C21 | C41 | H412 | 109.5° | 109.5° |
| C41 | C43 | N44 | 107.4° | 109.4° |
| C41 | C43 | C42 | 107.0° | 109.5° |
| C43 | C41 | H411 | 109.5° | 109.5° |
| C43 | C41 | H412 | 109.5° | 109.5° |
| C41 | C43 | H431 | 109.3° | 109.4° |
| C43 | N44 | C28 | 120.7° | 120.0° |
| N44 | C43 | C42 | 113.3° | 109.5° |
| N44 | C43 | H431 | 110.4° | 109.5° |
| C43 | N44 | H441 | 119.6° | 120.0° |
| N44 | C28 | C26 | 120.0° | 120.0° |
| N44 | C28 | O27 | 120.0° | 120.1° |
| C28 | N44 | H441 | 119.6° | 120.1° |
| N25 | C26 | C28 | 111.3° | 110.0° |
| N25 | C26 | C06 | 108.0° | 110.0° |
| C26 | N25 | H251 | 118.0° | 120.0° |
| C40 | C42 | C43 | 113.8° | 109.5° |
| C42 | C40 | C39 | 111.9° | 109.4° |
| C42 | C40 | H401 | 109.0° | 109.5° |
| C40 | C42 | H422 | 108.4° | 109.5° |
| C40 | C42 | H421 | 108.4° | 109.5° |
| C43 | C42 | H422 | 108.4° | 109.5° |
| C43 | C42 | H421 | 108.4° | 109.4° |
| C42 | C43 | H431 | 109.3° | 109.5° |
| C21 | C16 | C17 | 119.6° | 120.0° |
| C21 | C16 | H161 | 120.2° | 120.0° |
| C40 | C39 | C34 | 107.8° | 109.4° |
| C40 | C39 | N38 | 109.6° | 109.5° |
| C40 | C39 | H391 | 109.8° | 109.4° |
| C39 | C40 | H401 | 109.1° | 109.5° |
| C28 | C26 | C06 | 110.3° | 110.0° |
| C26 | C28 | O27 | 120.0° | 119.9° |
| C26 | C06 | C05 | 107.2° | 106.6° |
| C26 | C06 | H062 | 110.0° | 110.0° |
| C26 | C06 | H061 | 110.0° | 110.0° |
| C18 | C17 | C16 | 120.7° | 120.0° |
| C18 | C17 | H171 | 119.7° | 120.0° |
| C17 | C18 | H181 | 120.0° | 120.0° |
| C06 | C05 | H051 | 109.7° | 110.5° |
| C06 | C05 | H052 | 109.7° | 110.5° |
| C05 | C06 | H062 | 110.0° | 110.0° |
| C05 | C06 | H061 | 110.0° | 110.1° |
| C16 | C17 | H171 | 119.7° | 120.0° |
| C17 | C16 | H161 | 120.2° | 120.0° |
| C34 | C39 | N38 | 108.9° | 109.5° |
| C39 | C34 | C32 | 111.0° | 109.5° |
| C39 | C34 | H342 | 109.1° | 109.5° |
| C39 | C34 | H341 | 109.1° | 109.5° |
| C34 | C39 | H391 | 109.8° | 109.5° |
| C39 | N38 | C37 | 122.3° | 120.0° |
| N38 | C39 | H391 | 110.9° | 109.5° |
| C39 | N38 | H381 | 118.8° | 120.0° |
| C34 | C32 | C29 | 120.4° | 120.0° |
| C34 | C32 | C31 | 120.1° | 120.0° |
| C32 | C34 | H342 | 109.1° | 109.5° |
| C32 | C34 | H341 | 109.1° | 109.5° |
| N38 | C37 | O36 | 116.9° | 120.0° |
| N38 | C37 | O33 | 121.3° | 120.0° |
| C37 | N38 | H381 | 118.9° | 120.0° |
| O36 | C37 | O33 | 121.8° | 119.9° |
| C37 | O36 | C15 | 118.9° | 117.1° |
| C29 | C32 | C31 | 119.5° | 120.0° |
| C32 | C29 | C30 | 120.0° | 120.0° |
| C32 | C29 | H291 | 120.0° | 120.0° |
| C32 | C31 | C01 | 119.8° | 120.0° |
| C32 | C31 | H311 | 120.1° | 120.0° |
| O36 | C15 | C14 | 108.3° | 110.6° |
| O36 | C15 | C11 | 112.2° | 110.5° |
| O36 | C15 | H151 | 113.1° | 110.4° |
| C29 | C30 | C02 | 120.1° | 120.0° |
| C30 | C29 | H291 | 120.0° | 120.0° |
| C29 | C30 | H301 | 120.0° | 120.0° |
| O13 | C14 | C15 | 103.3° | 104.8° |
| C14 | O13 | C12 | 105.6° | 106.0° |
| O13 | C14 | H141 | 111.0° | 110.4° |
| O13 | C14 | H142 | 111.0° | 110.4° |
| C14 | C15 | C11 | 102.2° | 104.1° |
| C14 | C15 | H151 | 110.7° | 110.5° |
| C15 | C14 | H141 | 111.0° | 110.4° |
| C15 | C14 | H142 | 111.0° | 110.4° |
| O13 | C12 | O10 | 109.9° | 109.1° |
| O13 | C12 | C11 | 107.8° | 104.9° |
| O13 | C12 | H121 | 108.3° | 111.8° |
| C15 | C11 | C12 | 105.6° | 104.4° |
| C15 | C11 | C08 | 112.8° | 109.1° |
| C11 | C15 | H151 | 109.7° | 110.5° |
| C15 | C11 | H111 | 108.9° | 113.1° |
| C31 | C01 | C02 | 120.4° | 120.0° |
| C31 | C01 | H011 | 119.8° | 120.0° |
| C01 | C31 | H311 | 120.1° | 120.0° |
| O10 | C09 | C08 | 104.7° | 104.8° |
| C09 | O10 | C12 | 105.4° | 110.2° |
| O10 | C09 | H091 | 110.6° | 110.3° |
| O10 | C09 | H092 | 110.6° | 110.3° |
| C09 | C08 | C11 | 106.3° | 100.4° |
| C09 | C08 | H082 | 110.2° | 111.2° |
| C09 | C08 | H081 | 110.2° | 111.1° |
| C08 | C09 | H091 | 110.6° | 110.0° |
| C08 | C09 | H092 | 110.7° | 111.0° |
| O10 | C12 | C11 | 106.9° | 107.1° |
| O10 | C12 | H121 | 109.7° | 111.7° |
| C30 | C02 | C01 | 120.3° | 120.0° |
| C30 | C02 | H021 | 119.9° | 120.0° |
| C02 | C30 | H301 | 119.9° | 120.0° |
| C12 | C11 | C08 | 106.9° | 102.2° |
| C12 | C11 | H111 | 114.1° | 114.0° |
| C11 | C12 | H121 | 114.2° | 111.8° |
| C11 | C08 | H082 | 110.3° | 110.5° |
| C11 | C08 | H081 | 110.3° | 112.2° |
| C08 | C11 | H111 | 108.6° | 113.1° |
| C02 | C01 | H011 | 119.8° | 120.0° |
| C01 | C02 | H021 | 119.9° | 120.0° |
| H032 | C03 | H031 | 109.5° | 110.5° |
| H041 | C04 | H042 | 109.4° | 110.8° |
| H051 | C05 | H052 | 109.5° | 110.5° |
| H062 | C06 | H061 | 109.5° | 110.1° |
| H071 | C07 | H072 | 109.5° | 109.5° |
| H071 | C07 | H073 | 109.4° | 109.4° |
| H072 | C07 | H073 | 109.5° | 109.5° |
| H082 | C08 | H081 | 109.5° | 111.0° |
| H091 | C09 | H092 | 109.5° | 110.3° |
| H141 | C14 | H142 | 109.5° | 110.4° |
| H342 | C34 | H341 | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.4° |
| H422 | C42 | H421 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | O23 | C24 | O22 | 46.1° | 0.0° |
| C07 | O23 | C24 | N25 | 134.1° | 180.0° |
| O23 | C07 | H071 | H072 | 120.0° | 120.0° |
| O23 | C07 | H071 | H073 | 120.0° | 120.0° |
| O23 | C07 | H072 | H073 | 120.0° | 120.0° |
| O22 | C24 | O23 | N25 | 179.8° | 180.0° |
| O22 | C24 | N25 | C26 | 19.8° | 5.0° |
| O22 | C24 | N25 | H251 | 160.2° | 175.0° |
| O23 | C24 | N25 | C26 | 160.0° | 174.9° |
| C24 | O23 | C07 | H071 | 180.0° | 60.0° |
| C24 | O23 | C07 | H072 | 60.0° | 180.0° |
| C24 | O23 | C07 | H073 | 60.0° | 59.9° |
| O23 | C24 | N25 | H251 | 20.0° | 5.0° |
| C24 | N25 | C26 | C03 | 53.4° | 62.2° |
| C24 | N25 | C26 | H251 | 180.0° | 180.0° |
| C24 | N25 | C26 | C28 | 71.6° | 59.3° |
| C24 | N25 | C26 | C06 | 167.3° | 179.4° |
| C19 | C20 | C21 | H201 | 180.0° | 179.7° |
| C20 | C19 | C18 | H191 | 180.0° | 179.7° |
| C19 | C20 | C21 | C41 | 179.9° | 179.9° |
| C19 | C20 | C21 | C16 | 0.0° | 0.3° |
| C20 | C19 | C18 | C17 | 0.2° | 0.0° |
| C20 | C19 | C18 | H181 | 179.8° | 180.0° |
| C21 | C20 | C19 | C18 | 0.1° | 0.3° |
| C20 | C21 | C41 | C16 | 179.9° | 179.7° |
| C20 | C21 | C41 | C43 | 123.5° | 90.0° |
| C20 | C21 | C16 | C17 | 0.3° | 0.0° |
| C20 | C21 | C16 | H161 | 179.7° | 180.0° |
| C21 | C20 | C19 | H191 | 180.0° | 180.0° |
| C20 | C21 | C41 | H411 | 116.5° | 150.0° |
| C20 | C21 | C41 | H412 | 3.5° | 30.1° |
| C19 | C18 | C17 | H181 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.5° | 0.3° |
| C19 | C18 | C17 | H171 | 179.5° | 180.0° |
| C18 | C19 | C20 | H201 | 179.9° | 180.0° |
| C04 | C03 | C26 | H032 | 119.2° | 118.6° |
| C04 | C03 | C26 | H031 | 119.2° | 118.7° |
| C03 | C04 | C05 | H041 | 119.4° | 118.4° |
| C03 | C04 | C05 | H042 | 119.4° | 118.3° |
| C04 | C03 | C26 | N25 | 83.3° | 95.7° |
| C04 | C03 | C26 | C28 | 151.5° | 142.8° |
| C04 | C03 | C26 | C06 | 33.2° | 23.6° |
| C03 | C04 | C05 | C06 | 9.5° | 37.9° |
| C04 | C03 | H032 | H031 | 122.3° | 122.6° |
| C03 | C04 | H041 | H042 | 121.8° | 123.3° |
| C03 | C04 | C05 | H051 | 110.3° | 80.8° |
| C03 | C04 | C05 | H052 | 129.4° | 156.6° |
| C26 | C03 | C04 | C05 | 25.5° | 37.9° |
| C03 | C26 | C28 | N44 | 59.7° | 160.1° |
| C03 | C26 | N25 | C28 | 124.9° | 121.5° |
| C03 | C26 | N25 | C06 | 113.9° | 117.2° |
| C03 | C26 | C28 | C06 | 114.2° | 117.2° |
| C03 | C26 | C06 | C05 | 27.2° | 0.0° |
| C03 | C26 | C28 | O27 | 120.5° | 19.9° |
| C26 | C03 | H032 | H031 | 122.3° | 122.6° |
| C26 | C03 | C04 | H041 | 144.9° | 156.3° |
| C26 | C03 | C04 | H042 | 93.9° | 80.4° |
| C03 | C26 | C06 | H062 | 146.9° | 119.3° |
| C03 | C26 | C06 | H061 | 92.4° | 119.3° |
| C03 | C26 | N25 | H251 | 126.6° | 117.8° |
| O35 | C40 | C42 | C39 | 119.0° | 119.9° |
| O35 | C40 | C42 | H401 | 120.3° | 120.1° |
| O35 | C40 | C42 | C43 | 162.2° | 65.1° |
| O35 | C40 | C39 | H401 | 120.7° | 120.1° |
| O35 | C40 | C39 | C34 | 67.8° | 60.1° |
| O35 | C40 | C39 | N38 | 50.6° | 59.9° |
| O35 | C40 | C39 | H391 | 172.6° | 180.0° |
| O35 | C40 | C42 | H422 | 41.6° | 55.0° |
| O35 | C40 | C42 | H421 | 77.1° | 175.0° |
| C04 | C05 | C06 | C26 | 12.1° | 23.6° |
| C04 | C05 | C06 | H051 | 119.9° | 118.6° |
| C04 | C05 | C06 | H052 | 119.9° | 118.7° |
| C05 | C04 | C03 | H032 | 144.7° | 80.7° |
| C05 | C04 | C03 | H031 | 93.7° | 156.6° |
| C05 | C04 | H041 | H042 | 121.9° | 123.3° |
| C04 | C05 | H051 | H052 | 120.5° | 122.6° |
| C04 | C05 | C06 | H062 | 131.8° | 95.7° |
| C04 | C05 | C06 | H061 | 107.5° | 142.8° |
| C21 | C41 | C43 | H411 | 120.0° | 120.0° |
| C21 | C41 | C43 | H412 | 120.0° | 120.1° |
| C21 | C41 | C43 | N44 | 57.7° | 65.0° |
| C21 | C41 | C43 | C42 | 179.6° | 175.0° |
| C41 | C21 | C16 | C17 | 179.6° | 179.7° |
| C41 | C21 | C20 | H201 | 0.1° | 0.3° |
| C41 | C21 | C16 | H161 | 0.4° | 0.3° |
| C21 | C41 | H411 | H412 | 120.0° | 120.0° |
| C21 | C41 | C43 | H431 | 62.1° | 54.9° |
| C41 | C43 | N44 | C42 | 117.9° | 120.0° |
| C41 | C43 | N44 | H431 | 119.1° | 119.9° |
| C41 | C43 | N44 | C28 | 135.3° | 85.0° |
| C41 | C43 | C42 | C40 | 161.2° | 175.0° |
| C41 | C43 | C42 | H431 | 118.3° | 120.0° |
| C43 | C41 | C21 | C16 | 56.4° | 89.7° |
| C43 | C41 | H411 | H412 | 120.1° | 120.0° |
| C41 | C43 | C42 | H422 | 40.6° | 64.9° |
| C41 | C43 | C42 | H421 | 78.1° | 55.0° |
| C41 | C43 | N44 | H441 | 44.7° | 95.0° |
| C43 | N44 | C28 | H441 | 180.0° | 180.0° |
| N44 | C43 | C42 | C40 | 43.1° | 65.0° |
| N44 | C43 | C42 | H431 | 123.6° | 120.0° |
| C43 | N44 | C28 | C26 | 179.2° | 175.2° |
| C43 | N44 | C28 | O27 | 0.6° | 4.7° |
| N44 | C43 | C41 | H411 | 177.6° | 175.0° |
| N44 | C43 | C41 | H412 | 62.3° | 55.1° |
| N44 | C43 | C42 | H422 | 77.6° | 55.0° |
| N44 | C43 | C42 | H421 | 163.7° | 175.0° |
| N44 | C28 | C26 | N25 | 66.2° | 38.6° |
| C28 | N44 | C43 | C42 | 106.8° | 155.0° |
| N44 | C28 | C26 | O27 | 179.8° | 179.9° |
| N44 | C28 | C26 | C06 | 174.0° | 82.8° |
| C28 | N44 | C43 | H431 | 16.2° | 35.0° |
| N25 | C26 | C28 | C06 | 119.8° | 121.4° |
| N25 | C26 | C06 | C05 | 92.4° | 119.3° |
| N25 | C26 | C28 | O27 | 113.5° | 141.3° |
| N25 | C26 | C03 | H032 | 35.9° | 145.6° |
| N25 | C26 | C03 | H031 | 157.5° | 23.0° |
| N25 | C26 | C06 | H062 | 27.2° | 0.1° |
| N25 | C26 | C06 | H061 | 148.0° | 121.4° |
| C40 | C42 | C43 | H422 | 120.7° | 120.1° |
| C40 | C42 | C43 | H421 | 120.6° | 120.0° |
| C42 | C40 | C39 | H401 | 120.7° | 120.0° |
| C42 | C40 | C39 | C34 | 173.7° | 180.0° |
| C42 | C40 | C39 | N38 | 68.0° | 60.0° |
| C42 | C40 | C39 | H391 | 54.1° | 60.0° |
| C40 | C42 | H422 | H421 | 118.0° | 120.0° |
| C40 | C42 | C43 | H431 | 80.5° | 55.0° |
| C42 | C40 | O35 | H351 | 180.0° | 59.9° |
| C43 | C42 | C40 | C39 | 78.8° | 175.0° |
| C43 | C42 | C40 | H401 | 42.0° | 55.0° |
| C42 | C43 | C41 | H411 | 60.4° | 55.0° |
| C42 | C43 | C41 | H412 | 59.6° | 65.0° |
| C43 | C42 | H422 | H421 | 118.0° | 119.9° |
| C42 | C43 | N44 | H441 | 73.3° | 25.0° |
| C21 | C16 | C17 | C18 | 0.6° | 0.3° |
| C21 | C16 | C17 | H161 | 180.0° | 180.0° |
| C21 | C16 | C17 | H171 | 179.4° | 180.0° |
| C16 | C21 | C20 | H201 | 180.0° | 180.0° |
| C16 | C21 | C41 | H411 | 63.6° | 30.4° |
| C16 | C21 | C41 | H412 | 176.4° | 150.3° |
| C40 | C39 | C34 | N38 | 118.8° | 120.0° |
| C40 | C39 | C34 | H391 | 119.6° | 120.0° |
| C40 | C39 | N38 | H391 | 121.4° | 120.0° |
| C40 | C39 | C34 | C32 | 172.2° | 175.0° |
| C40 | C39 | N38 | C37 | 116.8° | 155.0° |
| C40 | C39 | C34 | H342 | 51.9° | 55.0° |
| C40 | C39 | C34 | H341 | 67.6° | 65.1° |
| C39 | C40 | C42 | H422 | 160.5° | 65.0° |
| C39 | C40 | C42 | H421 | 41.8° | 55.0° |
| C40 | C39 | N38 | H381 | 63.2° | 24.9° |
| C39 | C40 | O35 | H351 | 58.8° | 60.0° |
| C28 | C26 | C06 | C05 | 145.8° | 119.3° |
| C28 | C26 | C03 | H032 | 89.3° | 24.2° |
| C28 | C26 | C03 | H031 | 32.3° | 98.4° |
| C28 | C26 | C06 | H062 | 94.5° | 121.4° |
| C28 | C26 | C06 | H061 | 26.2° | 0.0° |
| C28 | C26 | N25 | H251 | 108.4° | 120.7° |
| C26 | C28 | N44 | H441 | 0.8° | 4.8° |
| C26 | C06 | C05 | H062 | 119.7° | 119.3° |
| C26 | C06 | C05 | H061 | 119.7° | 119.3° |
| C06 | C26 | C28 | O27 | 6.3° | 97.3° |
| C06 | C26 | C03 | H032 | 152.4° | 95.1° |
| C06 | C26 | C03 | H031 | 86.0° | 142.3° |
| C26 | C06 | C05 | H051 | 132.0° | 95.1° |
| C26 | C06 | C05 | H052 | 107.7° | 142.3° |
| C26 | C06 | H062 | H061 | 121.1° | 121.4° |
| C06 | C26 | N25 | H251 | 12.7° | 0.6° |
| C18 | C17 | C16 | H171 | 180.0° | 179.7° |
| C18 | C17 | C16 | H161 | 179.4° | 179.7° |
| C17 | C18 | C19 | H191 | 179.8° | 179.7° |
| C06 | C05 | C04 | H041 | 128.9° | 156.3° |
| C06 | C05 | C04 | H042 | 109.9° | 80.4° |
| C06 | C05 | H051 | H052 | 120.4° | 122.6° |
| C05 | C06 | H062 | H061 | 121.0° | 121.5° |
| O27 | C28 | N44 | H441 | 179.4° | 175.3° |
| C16 | C17 | C18 | H181 | 179.5° | 179.8° |
| C34 | C39 | N38 | H391 | 120.9° | 120.0° |
| C39 | C34 | C32 | H342 | 120.2° | 120.0° |
| C39 | C34 | C32 | H341 | 120.2° | 120.0° |
| C34 | C39 | N38 | C37 | 125.5° | 85.0° |
| C39 | C34 | C32 | C29 | 108.3° | 90.0° |
| C39 | C34 | C32 | C31 | 72.4° | 90.8° |
| C39 | C34 | H342 | H341 | 119.3° | 120.0° |
| C34 | C39 | C40 | H401 | 52.9° | 60.0° |
| C34 | C39 | N38 | H381 | 54.5° | 95.1° |
| N38 | C39 | C34 | C32 | 53.3° | 65.0° |
| C39 | N38 | C37 | H381 | 180.0° | 179.9° |
| C39 | N38 | C37 | O36 | 173.7° | 180.0° |
| C39 | N38 | C37 | O33 | 6.1° | 0.0° |
| N38 | C39 | C34 | H342 | 66.9° | 175.0° |
| N38 | C39 | C34 | H341 | 173.6° | 55.0° |
| N38 | C39 | C40 | H401 | 171.3° | 180.0° |
| C34 | C32 | C29 | C31 | 179.3° | 179.2° |
| C34 | C32 | C29 | C30 | 179.6° | 180.0° |
| C34 | C32 | C31 | C01 | 179.9° | 179.8° |
| C34 | C32 | C29 | H291 | 0.4° | 0.5° |
| C34 | C32 | C31 | H311 | 0.1° | 0.3° |
| C32 | C34 | H342 | H341 | 119.3° | 120.0° |
| C32 | C34 | C39 | H391 | 68.2° | 55.0° |
| N38 | C37 | O36 | O33 | 179.8° | 180.0° |
| N38 | C37 | O36 | C15 | 167.8° | 180.0° |
| C37 | N38 | C39 | H391 | 4.6° | 35.0° |
| C37 | O36 | C15 | C14 | 150.2° | 95.2° |
| C37 | O36 | C15 | C11 | 97.7° | 150.0° |
| C37 | O36 | C15 | H151 | 27.1° | 27.4° |
| O36 | C37 | N38 | H381 | 6.3° | 0.1° |
| O33 | C37 | O36 | C15 | 12.4° | 0.0° |
| O33 | C37 | N38 | H381 | 173.9° | 179.9° |
| C32 | C29 | C30 | H291 | 180.0° | 179.4° |
| C29 | C32 | C31 | C01 | 0.5° | 0.6° |
| C32 | C29 | C30 | C02 | 0.2° | 0.5° |
| C32 | C29 | C30 | H301 | 179.8° | 179.4° |
| C29 | C32 | C31 | H311 | 179.5° | 179.5° |
| C29 | C32 | C34 | H342 | 11.9° | 150.0° |
| C29 | C32 | C34 | H341 | 131.4° | 30.0° |
| C31 | C32 | C29 | C30 | 0.3° | 0.8° |
| C32 | C31 | C01 | H311 | 180.0° | 179.9° |
| C32 | C31 | C01 | C02 | 0.3° | 0.1° |
| C32 | C31 | C01 | H011 | 179.7° | 179.8° |
| C31 | C32 | C29 | H291 | 179.7° | 179.7° |
| C31 | C32 | C34 | H342 | 167.4° | 29.2° |
| C31 | C32 | C34 | H341 | 47.9° | 149.2° |
| O36 | C15 | C14 | O13 | 79.0° | 93.2° |
| O36 | C15 | C14 | C11 | 118.6° | 118.7° |
| O36 | C15 | C14 | H151 | 124.6° | 122.6° |
| O36 | C15 | C11 | H151 | 126.7° | 122.6° |
| O36 | C15 | C11 | C12 | 86.3° | 115.8° |
| O36 | C15 | C11 | C08 | 30.1° | 7.1° |
| O36 | C15 | C11 | H111 | 150.7° | 119.7° |
| O36 | C15 | C14 | H141 | 40.0° | 148.0° |
| O36 | C15 | C14 | H142 | 162.0° | 25.6° |
| C29 | C30 | C02 | H301 | 180.0° | 180.0° |
| C29 | C30 | C02 | C01 | 0.5° | 0.0° |
| C29 | C30 | C02 | H021 | 179.5° | 179.9° |
| O13 | C14 | C15 | H141 | 119.0° | 118.8° |
| O13 | C14 | C15 | H142 | 119.0° | 118.8° |
| O13 | C14 | C15 | C11 | 39.6° | 25.6° |
| C14 | O13 | C12 | O10 | 131.9° | 152.5° |
| C14 | O13 | C12 | C11 | 15.8° | 38.0° |
| O13 | C14 | C15 | H151 | 156.4° | 144.3° |
| C14 | O13 | C12 | H121 | 108.3° | 83.4° |
| O13 | C14 | H141 | H142 | 122.9° | 122.3° |
| C15 | C14 | O13 | C12 | 33.6° | 40.1° |
| C14 | C15 | C11 | H151 | 117.5° | 118.6° |
| C14 | C15 | C11 | C12 | 29.5° | 3.0° |
| C14 | C15 | C11 | C08 | 145.9° | 111.7° |
| C14 | C15 | C11 | H111 | 93.5° | 121.5° |
| C15 | C14 | H141 | H142 | 122.9° | 122.3° |
| O13 | C12 | C11 | C15 | 10.0° | 20.4° |
| O13 | C12 | O10 | C09 | 111.9° | 114.4° |
| O13 | C12 | O10 | C11 | 116.7° | 113.1° |
| O13 | C12 | O10 | H121 | 118.9° | 124.1° |
| O13 | C12 | C11 | H121 | 120.3° | 121.4° |
| O13 | C12 | C11 | C08 | 130.3° | 93.2° |
| O13 | C12 | C11 | H111 | 109.6° | 144.3° |
| C12 | O13 | C14 | H141 | 152.6° | 78.8° |
| C12 | O13 | C14 | H142 | 85.4° | 158.9° |
| C15 | C11 | C08 | C09 | 86.1° | 145.6° |
| C15 | C11 | C12 | O10 | 108.1° | 136.4° |
| C15 | C11 | C12 | C08 | 120.4° | 113.7° |
| C15 | C11 | C12 | H111 | 119.6° | 123.9° |
| C15 | C11 | C08 | H111 | 120.8° | 126.8° |
| C15 | C11 | C08 | H082 | 154.4° | 96.9° |
| C15 | C11 | C08 | H081 | 33.4° | 27.5° |
| C15 | C11 | C12 | H121 | 130.3° | 100.9° |
| C11 | C15 | C14 | H141 | 158.6° | 93.3° |
| C11 | C15 | C14 | H142 | 79.4° | 144.4° |
| C31 | C01 | C02 | C30 | 0.3° | 0.2° |
| C31 | C01 | C02 | H011 | 180.0° | 179.9° |
| C31 | C01 | C02 | H021 | 179.7° | 179.9° |
| O10 | C09 | C08 | H091 | 119.2° | 118.6° |
| O10 | C09 | C08 | H092 | 119.2° | 119.0° |
| C09 | O10 | C12 | C11 | 4.8° | 1.3° |
| O10 | C09 | C08 | C11 | 30.5° | 37.6° |
| O10 | C09 | C08 | H082 | 89.0° | 154.6° |
| O10 | C09 | C08 | H081 | 150.0° | 81.3° |
| O10 | C09 | H091 | H092 | 122.2° | 122.1° |
| C09 | O10 | C12 | H121 | 129.2° | 121.5° |
| C08 | C09 | O10 | C12 | 24.1° | 24.8° |
| C09 | C08 | C11 | C12 | 29.5° | 35.5° |
| C09 | C08 | C11 | H082 | 119.5° | 117.4° |
| C09 | C08 | C11 | H081 | 119.5° | 118.1° |
| C09 | C08 | H082 | H081 | 121.4° | 124.2° |
| C08 | C09 | H091 | H092 | 122.2° | 122.8° |
| C09 | C08 | C11 | H111 | 153.1° | 87.5° |
| O10 | C12 | C11 | H121 | 121.6° | 122.7° |
| O10 | C12 | C11 | C08 | 12.2° | 22.7° |
| C12 | O10 | C09 | H091 | 143.4° | 143.2° |
| C12 | O10 | C09 | H092 | 95.1° | 94.7° |
| O10 | C12 | C11 | H111 | 132.3° | 99.8° |
| C30 | C02 | C01 | H021 | 180.0° | 179.9° |
| C30 | C02 | C01 | H011 | 179.7° | 179.9° |
| C02 | C30 | C29 | H291 | 179.8° | 180.0° |
| C12 | C11 | C08 | H111 | 123.5° | 123.0° |
| C12 | C11 | C15 | H151 | 147.0° | 121.7° |
| C12 | C11 | C08 | H082 | 89.9° | 152.9° |
| C12 | C11 | C08 | H081 | 149.0° | 82.6° |
| C08 | C11 | C15 | H151 | 96.6° | 129.7° |
| C11 | C08 | H082 | H081 | 121.5° | 125.2° |
| C11 | C08 | C09 | H091 | 149.8° | 156.2° |
| C11 | C08 | C09 | H092 | 88.7° | 81.5° |
| C08 | C11 | C12 | H121 | 109.3° | 145.4° |
| C01 | C02 | C30 | H301 | 179.5° | 180.0° |
| C02 | C01 | C31 | H311 | 179.7° | 180.0° |
| H151 | C15 | C11 | H111 | 24.0° | 2.8° |
| H151 | C15 | C14 | H141 | 84.6° | 25.4° |
| H151 | C15 | C14 | H142 | 37.4° | 96.9° |
| H171 | C17 | C16 | H161 | 0.5° | 0.0° |
| H171 | C17 | C18 | H181 | 0.5° | 0.1° |
| H201 | C20 | C19 | H191 | 0.0° | 0.2° |
| H011 | C01 | C02 | H021 | 0.2° | 0.0° |
| H011 | C01 | C31 | H311 | 0.3° | 0.1° |
| H021 | C02 | C30 | H301 | 0.5° | 0.1° |
| H032 | C03 | C04 | H041 | 95.9° | 37.6° |
| H032 | C03 | C04 | H042 | 25.3° | 161.0° |
| H031 | C03 | C04 | H041 | 25.7° | 85.0° |
| H031 | C03 | C04 | H042 | 146.9° | 38.3° |
| H041 | C04 | C05 | H051 | 9.0° | 37.6° |
| H041 | C04 | C05 | H052 | 111.3° | 85.0° |
| H042 | C04 | C05 | H051 | 130.3° | 160.9° |
| H042 | C04 | C05 | H052 | 10.0° | 38.3° |
| H051 | C05 | C06 | H062 | 108.3° | 145.7° |
| H051 | C05 | C06 | H061 | 12.3° | 24.2° |
| H052 | C05 | C06 | H062 | 12.0° | 23.0° |
| H052 | C05 | C06 | H061 | 132.6° | 98.4° |
| H071 | C07 | H072 | H073 | 119.9° | 120.0° |
| H082 | C08 | C09 | H091 | 30.3° | 86.9° |
| H082 | C08 | C09 | H092 | 151.8° | 35.5° |
| H082 | C08 | C11 | H111 | 33.6° | 29.9° |
| H081 | C08 | C09 | H091 | 90.7° | 37.2° |
| H081 | C08 | C09 | H092 | 30.8° | 159.6° |
| H081 | C08 | C11 | H111 | 87.4° | 154.4° |
| H111 | C11 | C12 | H121 | 10.7° | 23.0° |
| H181 | C18 | C19 | H191 | 0.2° | 0.2° |
| H291 | C29 | C30 | H301 | 0.2° | 0.0° |
| H342 | C34 | C39 | H391 | 171.6° | 65.0° |
| H341 | C34 | C39 | H391 | 52.0° | 175.0° |
| H391 | C39 | C40 | H401 | 66.7° | 60.0° |
| H391 | C39 | N38 | H381 | 175.4° | 144.9° |
| H401 | C40 | C42 | H422 | 78.7° | 175.0° |
| H401 | C40 | C42 | H421 | 162.6° | 65.0° |
| H401 | C40 | O35 | H351 | 60.8° | 180.0° |
| H411 | C41 | C43 | H431 | 57.8° | 65.1° |
| H412 | C41 | C43 | H431 | 177.9° | 175.0° |
| H422 | C42 | C43 | H431 | 158.9° | 175.0° |
| H421 | C42 | C43 | H431 | 40.2° | 65.0° |
| H431 | C43 | N44 | H441 | 163.8° | 145.0° |
