CZJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C34 | C32 | sing | 1.53Å | 1.55Å | |
| C34 | C25 | sing | 1.53Å | 1.54Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| C32 | C31 | sing | 1.53Å | 1.54Å | |
| C33 | C29 | sing | 1.53Å | 1.55Å | |
| O21 | C20 | sing | 1.35Å | 1.39Å | |
| O35 | C24 | doub | 1.21Å | 1.19Å | |
| C18 | C17 | doub | 1.37Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| O13 | C12 | sing | 1.43Å | 1.38Å | |
| C17 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C31 | C27 | sing | 1.53Å | 1.54Å | |
| C25 | C24 | sing | 1.51Å | 1.57Å | |
| C25 | C30 | sing | 1.53Å | 1.50Å | |
| C25 | C26 | sing | 1.53Å | 1.49Å | |
| C24 | N23 | sing | 1.35Å | 1.48Å | |
| O42 | C14 | sing | 1.43Å | 1.38Å | |
| O42 | C02 | sing | 1.43Å | 1.39Å | |
| C30 | C29 | sing | 1.53Å | 1.51Å | |
| C29 | C28 | sing | 1.53Å | 1.50Å | |
| C20 | C19 | sing | 1.47Å | 1.43Å | |
| C20 | C22 | doub | 1.38Å | 1.38Å | |
| C14 | C12 | sing | 1.53Å | 1.52Å | |
| C14 | O15 | sing | 1.43Å | 1.36Å | |
| C19 | C39 | doub | 1.41Å | 1.40Å | Aromatic |
| C12 | C07 | sing | 1.53Å | 1.52Å | |
| C16 | O15 | sing | 1.36Å | 1.41Å | |
| C16 | C40 | doub | 1.38Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.53Å | 1.53Å | |
| N23 | C22 | sing | 1.41Å | 1.49Å | |
| C22 | C36 | sing | 1.41Å | 1.49Å | |
| C26 | C27 | sing | 1.53Å | 1.50Å | |
| C02 | C04 | sing | 1.53Å | 1.51Å | |
| C02 | C01 | sing | 1.53Å | 1.55Å | |
| C27 | C28 | sing | 1.53Å | 1.50Å | |
| C39 | C40 | sing | 1.39Å | 1.39Å | Aromatic |
| C39 | O37 | sing | 1.35Å | 1.42Å | |
| C40 | C41 | sing | 1.51Å | 1.53Å | |
| C04 | C07 | sing | 1.53Å | 1.53Å | |
| C04 | O05 | sing | 1.43Å | 1.43Å | |
| C07 | O08 | sing | 1.45Å | 1.41Å | |
| C36 | O37 | sing | 1.34Å | 1.40Å | |
| C36 | O38 | doub | 1.22Å | 1.40Å | |
| O08 | C09 | sing | 1.35Å | 1.40Å | |
| O05 | C06 | sing | 1.43Å | 1.39Å | |
| C09 | O11 | doub | 1.22Å | 1.18Å | |
| C09 | N10 | sing | 1.35Å | 1.45Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C01 | H013 | sing | 1.09Å | 1.10Å | |
| C01 | H012 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C03 | H033 | sing | 1.09Å | 1.10Å | |
| C03 | H031 | sing | 1.09Å | 1.10Å | |
| C03 | H032 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C06 | H063 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C41 | H413 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N10 | H102 | sing | 0.97Å | 1.00Å | |
| N23 | H231 | sing | 0.97Å | 1.00Å | |
| O13 | H131 | sing | 0.97Å | 0.95Å | |
| O21 | H211 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C32 | C34 | C25 | 109.2° | 109.5° |
| C34 | C32 | C33 | 109.6° | 109.5° |
| C34 | C32 | C31 | 109.8° | 109.5° |
| C34 | C32 | H321 | 109.5° | 109.5° |
| C32 | C34 | H341 | 109.5° | 109.4° |
| C32 | C34 | H342 | 109.5° | 109.5° |
| C34 | C25 | C24 | 112.7° | 109.5° |
| C34 | C25 | C30 | 108.7° | 109.5° |
| C34 | C25 | C26 | 107.9° | 109.5° |
| C25 | C34 | H341 | 109.5° | 109.5° |
| C25 | C34 | H342 | 109.6° | 109.5° |
| C33 | C32 | C31 | 108.9° | 109.5° |
| C32 | C33 | C29 | 108.5° | 109.5° |
| C33 | C32 | H321 | 109.5° | 109.4° |
| C32 | C33 | H331 | 109.7° | 109.5° |
| C32 | C33 | H332 | 109.7° | 109.5° |
| C32 | C31 | C27 | 108.7° | 109.5° |
| C32 | C31 | H311 | 109.7° | 109.5° |
| C32 | C31 | H312 | 109.6° | 109.5° |
| C31 | C32 | H321 | 109.6° | 109.5° |
| C33 | C29 | C30 | 108.9° | 109.5° |
| C33 | C29 | C28 | 109.0° | 109.4° |
| C33 | C29 | H291 | 109.4° | 109.5° |
| C29 | C33 | H331 | 109.7° | 109.4° |
| C29 | C33 | H332 | 109.7° | 109.5° |
| O21 | C20 | C19 | 120.1° | 121.0° |
| O21 | C20 | C22 | 120.4° | 121.1° |
| C20 | O21 | H211 | 109.5° | 113.9° |
| O35 | C24 | C25 | 120.5° | 120.0° |
| O35 | C24 | N23 | 120.2° | 120.0° |
| C17 | C18 | C19 | 120.7° | 119.8° |
| C18 | C17 | C16 | 119.0° | 120.4° |
| C18 | C17 | H171 | 120.5° | 119.8° |
| C17 | C18 | H181 | 119.7° | 120.1° |
| C18 | C19 | C20 | 120.1° | 120.9° |
| C18 | C19 | C39 | 119.7° | 120.2° |
| C19 | C18 | H181 | 119.7° | 120.1° |
| O13 | C12 | C14 | 112.5° | 109.6° |
| O13 | C12 | C07 | 111.7° | 109.5° |
| O13 | C12 | H121 | 113.3° | 109.6° |
| C12 | O13 | H131 | 109.5° | 114.0° |
| C17 | C16 | O15 | 125.5° | 119.7° |
| C17 | C16 | C40 | 120.2° | 120.5° |
| C16 | C17 | H171 | 120.5° | 119.8° |
| C31 | C27 | C26 | 109.0° | 109.4° |
| C31 | C27 | C28 | 109.1° | 109.5° |
| C31 | C27 | H271 | 109.6° | 109.4° |
| C27 | C31 | H311 | 109.7° | 109.5° |
| C27 | C31 | H312 | 109.7° | 109.5° |
| C24 | C25 | C30 | 109.0° | 109.4° |
| C24 | C25 | C26 | 109.2° | 109.5° |
| C25 | C24 | N23 | 119.2° | 120.0° |
| C30 | C25 | C26 | 109.3° | 109.5° |
| C25 | C30 | C29 | 111.6° | 109.5° |
| C25 | C30 | H302 | 108.9° | 109.5° |
| C25 | C30 | H301 | 109.0° | 109.5° |
| C25 | C26 | C27 | 112.7° | 109.5° |
| C25 | C26 | H262 | 108.6° | 109.5° |
| C25 | C26 | H261 | 108.7° | 109.5° |
| C24 | N23 | C22 | 122.6° | 120.0° |
| C24 | N23 | H231 | 118.7° | 120.0° |
| C14 | O42 | C02 | 108.2° | 114.1° |
| O42 | C14 | C12 | 116.7° | 109.4° |
| O42 | C14 | O15 | 125.9° | 109.5° |
| O42 | C14 | H141 | 95.7° | 109.5° |
| O42 | C02 | C03 | 108.2° | 109.5° |
| O42 | C02 | C04 | 115.9° | 109.4° |
| O42 | C02 | C01 | 107.5° | 109.5° |
| C30 | C29 | C28 | 109.5° | 109.4° |
| C30 | C29 | H291 | 109.9° | 109.5° |
| C29 | C30 | H302 | 109.0° | 109.4° |
| C29 | C30 | H301 | 109.0° | 109.4° |
| C29 | C28 | C27 | 111.1° | 109.5° |
| C29 | C28 | H282 | 109.0° | 109.5° |
| C29 | C28 | H281 | 109.1° | 109.5° |
| C28 | C29 | H291 | 110.0° | 109.5° |
| C19 | C20 | C22 | 119.5° | 117.9° |
| C20 | C19 | C39 | 120.2° | 118.9° |
| C20 | C22 | N23 | 121.5° | 120.3° |
| C20 | C22 | C36 | 119.9° | 119.5° |
| C12 | C14 | O15 | 114.6° | 109.5° |
| C14 | C12 | C07 | 96.3° | 109.1° |
| C14 | C12 | H121 | 111.0° | 109.5° |
| C12 | C14 | H141 | 95.2° | 109.5° |
| C14 | O15 | C16 | 121.6° | 117.0° |
| O15 | C14 | H141 | 95.8° | 109.5° |
| C19 | C39 | C40 | 119.9° | 119.3° |
| C19 | C39 | O37 | 122.0° | 120.1° |
| C12 | C07 | C04 | 108.0° | 109.1° |
| C12 | C07 | O08 | 110.7° | 109.5° |
| C12 | C07 | H071 | 108.1° | 109.6° |
| C07 | C12 | H121 | 111.0° | 109.5° |
| O15 | C16 | C40 | 114.4° | 119.8° |
| C16 | C40 | C39 | 120.6° | 119.9° |
| C16 | C40 | C41 | 119.7° | 120.1° |
| C03 | C02 | C04 | 107.5° | 109.5° |
| C03 | C02 | C01 | 107.1° | 109.5° |
| C02 | C03 | H033 | 109.5° | 109.5° |
| C02 | C03 | H031 | 109.4° | 109.5° |
| C02 | C03 | H032 | 109.4° | 109.5° |
| N23 | C22 | C36 | 118.6° | 120.2° |
| C22 | N23 | H231 | 118.7° | 120.0° |
| C22 | C36 | O37 | 120.0° | 121.8° |
| C22 | C36 | O38 | 120.2° | 119.1° |
| C26 | C27 | C28 | 108.9° | 109.5° |
| C27 | C26 | H262 | 108.7° | 109.5° |
| C27 | C26 | H261 | 108.6° | 109.6° |
| C26 | C27 | H271 | 110.1° | 109.5° |
| C04 | C02 | C01 | 110.3° | 109.5° |
| C02 | C04 | C07 | 112.8° | 109.2° |
| C02 | C04 | O05 | 109.9° | 109.5° |
| C02 | C04 | H041 | 108.7° | 109.5° |
| C02 | C01 | H013 | 109.5° | 109.4° |
| C02 | C01 | H012 | 109.5° | 109.5° |
| C02 | C01 | H011 | 109.5° | 109.5° |
| C27 | C28 | H282 | 109.1° | 109.5° |
| C27 | C28 | H281 | 109.0° | 109.5° |
| C28 | C27 | H271 | 110.1° | 109.5° |
| C40 | C39 | O37 | 118.1° | 120.6° |
| C39 | C40 | C41 | 119.8° | 120.1° |
| C39 | O37 | C36 | 118.4° | 121.8° |
| C40 | C41 | H413 | 109.5° | 109.5° |
| C40 | C41 | H411 | 109.5° | 109.5° |
| C40 | C41 | H412 | 109.5° | 109.5° |
| C07 | C04 | O05 | 107.1° | 109.5° |
| C04 | C07 | O08 | 112.4° | 109.5° |
| C07 | C04 | H041 | 108.5° | 109.6° |
| C04 | C07 | H071 | 108.0° | 109.6° |
| C04 | O05 | C06 | 115.3° | 114.0° |
| O05 | C04 | H041 | 109.8° | 109.5° |
| C07 | O08 | C09 | 115.8° | 117.0° |
| O08 | C07 | H071 | 109.5° | 109.5° |
| O37 | C36 | O38 | 119.8° | 119.1° |
| O08 | C09 | O11 | 121.5° | 120.0° |
| O08 | C09 | N10 | 120.0° | 120.0° |
| O05 | C06 | H062 | 109.5° | 109.5° |
| O05 | C06 | H063 | 109.4° | 109.5° |
| O05 | C06 | H061 | 109.5° | 109.4° |
| O11 | C09 | N10 | 118.5° | 120.0° |
| C09 | N10 | H101 | 120.0° | 120.0° |
| C09 | N10 | H102 | 120.0° | 120.0° |
| H262 | C26 | H261 | 109.5° | 109.4° |
| H282 | C28 | H281 | 109.5° | 109.4° |
| H013 | C01 | H012 | 109.5° | 109.4° |
| H013 | C01 | H011 | 109.4° | 109.5° |
| H012 | C01 | H011 | 109.5° | 109.5° |
| H033 | C03 | H031 | 109.5° | 109.5° |
| H033 | C03 | H032 | 109.5° | 109.4° |
| H031 | C03 | H032 | 109.5° | 109.5° |
| H062 | C06 | H063 | 109.5° | 109.5° |
| H062 | C06 | H061 | 109.4° | 109.5° |
| H063 | C06 | H061 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.4° | 109.5° |
| H311 | C31 | H312 | 109.5° | 109.4° |
| H331 | C33 | H332 | 109.5° | 109.4° |
| H341 | C34 | H342 | 109.5° | 109.5° |
| H413 | C41 | H411 | 109.4° | 109.4° |
| H413 | C41 | H412 | 109.5° | 109.5° |
| H411 | C41 | H412 | 109.5° | 109.5° |
| H101 | N10 | H102 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C32 | C34 | C25 | H341 | 119.9° | 120.0° |
| C32 | C34 | C25 | H342 | 120.0° | 120.1° |
| C34 | C32 | C33 | C31 | 120.1° | 120.0° |
| C34 | C32 | C33 | H321 | 120.1° | 120.0° |
| C34 | C32 | C31 | H321 | 120.3° | 120.0° |
| C34 | C32 | C33 | C29 | 59.5° | 60.0° |
| C34 | C32 | C31 | C27 | 59.1° | 60.0° |
| C32 | C34 | C25 | C24 | 179.8° | 180.0° |
| C32 | C34 | C25 | C30 | 59.2° | 60.0° |
| C32 | C34 | C25 | C26 | 59.2° | 60.0° |
| C34 | C32 | C31 | H311 | 60.8° | 180.0° |
| C34 | C32 | C31 | H312 | 179.0° | 60.0° |
| C34 | C32 | C33 | H331 | 179.4° | 60.0° |
| C34 | C32 | C33 | H332 | 60.3° | 180.0° |
| C32 | C34 | H341 | H342 | 120.1° | 120.0° |
| C25 | C34 | C32 | C33 | 59.6° | 60.0° |
| C25 | C34 | C32 | C31 | 59.9° | 60.0° |
| C34 | C25 | C24 | O35 | 17.1° | 120.0° |
| C34 | C25 | C24 | C30 | 120.8° | 120.0° |
| C34 | C25 | C24 | C26 | 119.9° | 120.0° |
| C34 | C25 | C30 | C26 | 117.5° | 120.0° |
| C34 | C25 | C24 | N23 | 162.8° | 60.0° |
| C34 | C25 | C30 | C29 | 61.3° | 60.0° |
| C34 | C25 | C26 | C27 | 61.1° | 60.0° |
| C34 | C25 | C26 | H262 | 178.4° | 180.0° |
| C34 | C25 | C26 | H261 | 59.3° | 60.1° |
| C34 | C25 | C30 | H302 | 59.0° | 60.0° |
| C34 | C25 | C30 | H301 | 178.4° | 180.0° |
| C25 | C34 | C32 | H321 | 179.7° | 180.0° |
| C25 | C34 | H341 | H342 | 120.1° | 120.0° |
| C33 | C32 | C31 | H321 | 119.7° | 120.0° |
| C32 | C33 | C29 | H331 | 119.8° | 120.0° |
| C32 | C33 | C29 | H332 | 119.9° | 120.0° |
| C33 | C32 | C31 | C27 | 60.9° | 60.0° |
| C32 | C33 | C29 | C30 | 59.6° | 59.9° |
| C32 | C33 | C29 | C28 | 59.9° | 60.0° |
| C32 | C33 | C29 | H291 | 179.8° | 180.0° |
| C33 | C32 | C31 | H311 | 179.2° | 60.0° |
| C33 | C32 | C31 | H312 | 59.0° | 180.0° |
| C32 | C33 | H331 | H332 | 120.4° | 120.0° |
| C33 | C32 | C34 | H341 | 60.3° | 180.0° |
| C33 | C32 | C34 | H342 | 179.6° | 60.0° |
| C31 | C32 | C33 | C29 | 60.6° | 60.0° |
| C32 | C31 | C27 | H311 | 119.9° | 120.0° |
| C32 | C31 | C27 | H312 | 119.9° | 120.0° |
| C32 | C31 | C27 | C26 | 58.4° | 60.0° |
| C32 | C31 | C27 | C28 | 60.4° | 60.0° |
| C32 | C31 | C27 | H271 | 179.0° | 180.0° |
| C32 | C31 | H311 | H312 | 120.3° | 120.0° |
| C31 | C32 | C33 | H331 | 59.3° | 180.0° |
| C31 | C32 | C33 | H332 | 179.6° | 60.0° |
| C31 | C32 | C34 | H341 | 179.9° | 60.0° |
| C31 | C32 | C34 | H342 | 60.0° | 180.0° |
| C33 | C29 | C30 | C25 | 61.8° | 59.9° |
| C33 | C29 | C30 | C28 | 119.2° | 119.9° |
| C33 | C29 | C30 | H291 | 119.9° | 120.1° |
| C33 | C29 | C28 | H291 | 120.0° | 120.0° |
| C33 | C29 | C28 | C27 | 60.9° | 60.0° |
| C33 | C29 | C28 | H282 | 59.4° | 180.0° |
| C33 | C29 | C28 | H281 | 178.9° | 60.0° |
| C33 | C29 | C30 | H302 | 58.6° | 60.0° |
| C33 | C29 | C30 | H301 | 177.9° | 180.0° |
| C29 | C33 | C32 | H321 | 179.6° | 180.0° |
| C29 | C33 | H331 | H332 | 120.4° | 120.0° |
| O21 | C20 | C19 | C18 | 0.2° | 0.1° |
| O21 | C20 | C19 | C22 | 179.5° | 179.9° |
| O21 | C20 | C19 | C39 | 179.9° | 179.9° |
| O21 | C20 | C22 | N23 | 0.5° | 0.1° |
| O21 | C20 | C22 | C36 | 179.9° | 180.0° |
| O35 | C24 | C25 | N23 | 180.0° | 179.9° |
| O35 | C24 | C25 | C30 | 137.9° | 0.1° |
| O35 | C24 | C25 | C26 | 102.7° | 120.0° |
| O35 | C24 | N23 | C22 | 0.1° | 5.4° |
| O35 | C24 | N23 | H231 | 180.0° | 174.5° |
| C17 | C18 | C19 | H181 | 180.0° | 180.0° |
| C18 | C17 | C16 | H171 | 180.0° | 179.7° |
| C17 | C18 | C19 | C20 | 179.9° | 180.0° |
| C17 | C18 | C19 | C39 | 0.0° | 0.0° |
| C18 | C17 | C16 | O15 | 179.1° | 179.8° |
| C18 | C17 | C16 | C40 | 0.5° | 0.3° |
| C19 | C18 | C17 | C16 | 0.4° | 0.0° |
| C18 | C19 | C20 | C39 | 179.9° | 180.0° |
| C18 | C19 | C20 | C22 | 179.7° | 180.0° |
| C18 | C19 | C39 | C40 | 0.3° | 0.3° |
| C18 | C19 | C39 | O37 | 179.7° | 180.0° |
| C19 | C18 | C17 | H171 | 179.6° | 179.7° |
| O13 | C12 | C14 | O42 | 40.5° | 177.5° |
| O13 | C12 | C14 | C07 | 116.6° | 119.9° |
| O13 | C12 | C14 | H121 | 128.1° | 120.2° |
| O13 | C12 | C14 | O15 | 157.5° | 62.5° |
| O13 | C12 | C07 | H121 | 127.4° | 120.2° |
| O13 | C12 | C07 | C04 | 53.3° | 176.9° |
| O13 | C12 | C07 | O08 | 70.1° | 57.0° |
| O13 | C12 | C07 | H071 | 170.0° | 63.1° |
| O13 | C12 | C14 | H141 | 58.6° | 57.5° |
| C17 | C16 | O15 | C14 | 17.4° | 0.1° |
| C17 | C16 | O15 | C40 | 178.7° | 179.9° |
| C17 | C16 | C40 | C39 | 0.1° | 0.6° |
| C17 | C16 | C40 | C41 | 179.7° | 179.9° |
| C16 | C17 | C18 | H181 | 179.6° | 180.0° |
| C31 | C27 | C26 | C25 | 61.2° | 60.0° |
| C31 | C27 | C28 | C29 | 61.1° | 60.0° |
| C31 | C27 | C26 | C28 | 118.9° | 120.0° |
| C31 | C27 | C26 | H271 | 120.3° | 119.9° |
| C31 | C27 | C28 | H271 | 120.3° | 119.9° |
| C31 | C27 | C26 | H262 | 178.4° | 180.0° |
| C31 | C27 | C26 | H261 | 59.3° | 60.0° |
| C31 | C27 | C28 | H282 | 59.2° | 180.0° |
| C31 | C27 | C28 | H281 | 178.7° | 60.0° |
| C27 | C31 | H311 | H312 | 120.4° | 120.0° |
| C27 | C31 | C32 | H321 | 179.4° | 180.0° |
| C24 | C25 | C30 | C26 | 119.3° | 120.0° |
| C24 | C25 | C30 | C29 | 175.5° | 180.0° |
| C25 | C24 | N23 | C22 | 179.9° | 174.5° |
| C24 | C25 | C26 | C27 | 176.1° | 179.9° |
| C24 | C25 | C26 | H262 | 55.6° | 60.0° |
| C24 | C25 | C26 | H261 | 63.5° | 59.9° |
| C24 | C25 | C30 | H302 | 64.1° | 60.1° |
| C24 | C25 | C30 | H301 | 55.2° | 60.0° |
| C24 | C25 | C34 | H341 | 60.3° | 60.0° |
| C24 | C25 | C34 | H342 | 59.8° | 60.0° |
| C25 | C24 | N23 | H231 | 0.1° | 5.5° |
| C30 | C25 | C24 | N23 | 42.1° | 180.0° |
| C25 | C30 | C29 | H302 | 120.3° | 120.0° |
| C25 | C30 | C29 | H301 | 120.3° | 120.0° |
| C25 | C30 | C29 | C28 | 57.4° | 60.0° |
| C30 | C25 | C26 | C27 | 56.9° | 60.0° |
| C30 | C25 | C26 | H262 | 63.6° | 60.0° |
| C30 | C25 | C26 | H261 | 177.3° | 179.9° |
| C25 | C30 | C29 | H291 | 178.4° | 180.0° |
| C25 | C30 | H302 | H301 | 119.0° | 120.1° |
| C30 | C25 | C34 | H341 | 60.7° | 180.0° |
| C30 | C25 | C34 | H342 | 179.2° | 60.0° |
| C26 | C25 | C24 | N23 | 77.3° | 60.0° |
| C26 | C25 | C30 | C29 | 56.2° | 60.0° |
| C25 | C26 | C27 | H262 | 120.4° | 120.0° |
| C25 | C26 | C27 | H261 | 120.5° | 120.1° |
| C25 | C26 | C27 | C28 | 57.7° | 60.0° |
| C25 | C26 | H262 | H261 | 118.5° | 120.0° |
| C25 | C26 | C27 | H271 | 178.5° | 180.0° |
| C26 | C25 | C30 | H302 | 176.6° | 180.0° |
| C26 | C25 | C30 | H301 | 64.1° | 60.0° |
| C26 | C25 | C34 | H341 | 179.1° | 60.0° |
| C26 | C25 | C34 | H342 | 60.8° | 180.0° |
| C24 | N23 | C22 | C20 | 80.3° | 120.3° |
| C24 | N23 | C22 | H231 | 180.0° | 179.9° |
| C24 | N23 | C22 | C36 | 100.3° | 59.6° |
| O42 | C14 | C12 | O15 | 162.1° | 119.9° |
| O42 | C14 | C12 | H141 | 99.1° | 120.0° |
| O42 | C14 | O15 | H141 | 101.4° | 120.0° |
| O42 | C14 | C12 | C07 | 76.1° | 57.6° |
| O42 | C14 | O15 | C16 | 30.5° | 65.1° |
| C14 | O42 | C02 | C03 | 163.3° | 58.8° |
| C14 | O42 | C02 | C04 | 42.6° | 61.2° |
| C14 | O42 | C02 | C01 | 81.4° | 178.9° |
| O42 | C14 | C12 | H121 | 168.5° | 62.3° |
| C02 | O42 | C14 | C12 | 65.5° | 61.2° |
| C02 | O42 | C14 | O15 | 94.3° | 178.9° |
| O42 | C02 | C03 | C04 | 125.8° | 119.9° |
| O42 | C02 | C03 | C01 | 115.6° | 120.1° |
| O42 | C02 | C04 | C01 | 122.4° | 120.0° |
| O42 | C02 | C04 | C07 | 41.1° | 57.6° |
| O42 | C02 | C04 | O05 | 160.6° | 62.3° |
| O42 | C02 | C01 | H013 | 180.0° | 59.9° |
| O42 | C02 | C01 | H012 | 60.0° | 60.0° |
| O42 | C02 | C01 | H011 | 60.0° | 179.9° |
| O42 | C02 | C03 | H033 | 180.0° | 169.7° |
| O42 | C02 | C03 | H031 | 60.0° | 70.3° |
| O42 | C02 | C03 | H032 | 60.0° | 49.7° |
| O42 | C02 | C04 | H041 | 79.2° | 177.5° |
| C02 | O42 | C14 | H141 | 164.2° | 58.8° |
| C30 | C29 | C28 | H291 | 120.9° | 120.0° |
| C30 | C29 | C28 | C27 | 58.2° | 60.0° |
| C30 | C29 | C28 | H282 | 178.4° | 60.0° |
| C30 | C29 | C28 | H281 | 62.0° | 180.0° |
| C29 | C30 | H302 | H301 | 119.0° | 120.0° |
| C30 | C29 | C33 | H331 | 179.5° | 60.1° |
| C30 | C29 | C33 | H332 | 60.2° | 180.0° |
| C29 | C28 | C27 | C26 | 57.8° | 60.0° |
| C29 | C28 | C27 | H282 | 120.2° | 120.0° |
| C29 | C28 | C27 | H281 | 120.2° | 120.1° |
| C29 | C28 | H282 | H281 | 119.2° | 120.0° |
| C29 | C28 | C27 | H271 | 178.6° | 179.9° |
| C28 | C29 | C30 | H302 | 177.7° | 180.0° |
| C28 | C29 | C30 | H301 | 62.9° | 60.0° |
| C28 | C29 | C33 | H331 | 60.0° | 180.0° |
| C28 | C29 | C33 | H332 | 179.7° | 60.0° |
| C19 | C20 | C22 | N23 | 180.0° | 180.0° |
| C19 | C20 | C22 | C36 | 0.6° | 0.1° |
| C20 | C19 | C39 | C40 | 179.6° | 179.8° |
| C20 | C19 | C39 | O37 | 0.2° | 0.0° |
| C20 | C19 | C18 | H181 | 0.1° | 0.0° |
| C19 | C20 | O21 | H211 | 180.0° | 180.0° |
| C22 | C20 | C19 | C39 | 0.4° | 0.0° |
| C20 | C22 | N23 | C36 | 179.4° | 179.9° |
| C20 | C22 | C36 | O37 | 0.4° | 0.1° |
| C20 | C22 | C36 | O38 | 179.8° | 180.0° |
| C20 | C22 | N23 | H231 | 99.7° | 59.6° |
| C22 | C20 | O21 | H211 | 0.5° | 0.1° |
| C12 | C14 | O15 | H141 | 98.5° | 120.1° |
| C14 | C12 | C07 | H121 | 115.3° | 119.9° |
| C12 | C14 | O15 | C16 | 169.3° | 175.0° |
| C14 | C12 | C07 | C04 | 63.9° | 57.0° |
| C14 | C12 | C07 | O08 | 172.6° | 62.9° |
| C14 | C12 | C07 | H071 | 52.7° | 176.9° |
| C14 | C12 | O13 | H131 | 180.0° | 60.4° |
| O15 | C14 | C12 | C07 | 86.0° | 177.6° |
| C14 | O15 | C16 | C40 | 163.9° | 180.0° |
| O15 | C14 | C12 | H121 | 29.4° | 57.7° |
| C19 | C39 | C40 | C16 | 0.2° | 0.5° |
| C19 | C39 | C40 | O37 | 179.5° | 179.8° |
| C19 | C39 | C40 | C41 | 179.3° | 179.9° |
| C19 | C39 | O37 | C36 | 0.4° | 0.0° |
| C39 | C19 | C18 | H181 | 180.0° | 180.0° |
| C12 | C07 | C04 | C02 | 54.6° | 57.0° |
| C12 | C07 | C04 | O08 | 122.5° | 119.9° |
| C12 | C07 | C04 | H071 | 116.7° | 120.0° |
| C12 | C07 | C04 | O05 | 175.7° | 62.9° |
| C12 | C07 | O08 | H071 | 119.0° | 120.2° |
| C12 | C07 | O08 | C09 | 126.3° | 90.4° |
| C12 | C07 | C04 | H041 | 65.8° | 176.9° |
| C07 | C12 | C14 | H141 | 175.2° | 62.4° |
| C07 | C12 | O13 | H131 | 73.0° | 180.0° |
| O15 | C16 | C40 | C39 | 178.9° | 179.5° |
| O15 | C16 | C40 | C41 | 1.5° | 0.0° |
| O15 | C16 | C17 | H171 | 0.9° | 0.1° |
| C16 | O15 | C14 | H141 | 70.9° | 54.9° |
| C16 | C40 | C39 | C41 | 179.5° | 179.5° |
| C16 | C40 | C39 | O37 | 179.7° | 179.7° |
| C40 | C16 | C17 | H171 | 179.6° | 180.0° |
| C16 | C40 | C41 | H413 | 90.2° | 90.0° |
| C16 | C40 | C41 | H411 | 149.8° | 150.0° |
| C16 | C40 | C41 | H412 | 29.8° | 30.0° |
| C03 | C02 | C04 | C01 | 116.5° | 120.0° |
| C03 | C02 | C04 | C07 | 162.2° | 62.4° |
| C03 | C02 | C04 | O05 | 78.3° | 177.7° |
| C03 | C02 | C01 | H013 | 64.0° | 179.9° |
| C03 | C02 | C01 | H012 | 176.0° | 60.0° |
| C03 | C02 | C01 | H011 | 56.0° | 60.1° |
| C02 | C03 | H033 | H031 | 120.0° | 120.0° |
| C02 | C03 | H033 | H032 | 120.0° | 120.0° |
| C02 | C03 | H031 | H032 | 120.0° | 120.0° |
| C03 | C02 | C04 | H041 | 41.9° | 57.6° |
| N23 | C22 | C36 | O37 | 179.7° | 180.0° |
| N23 | C22 | C36 | O38 | 0.5° | 0.1° |
| C22 | C36 | O37 | C39 | 0.2° | 0.1° |
| C22 | C36 | O37 | O38 | 179.8° | 179.9° |
| C36 | C22 | N23 | H231 | 79.7° | 120.5° |
| C26 | C27 | C28 | H271 | 120.8° | 120.1° |
| C27 | C26 | H262 | H261 | 118.5° | 120.1° |
| C26 | C27 | C28 | H282 | 178.0° | 60.0° |
| C26 | C27 | C28 | H281 | 62.5° | 180.0° |
| C26 | C27 | C31 | H311 | 61.5° | 179.9° |
| C26 | C27 | C31 | H312 | 178.2° | 60.0° |
| C02 | C04 | C07 | O05 | 121.1° | 119.9° |
| C02 | C04 | C07 | H041 | 120.4° | 119.9° |
| C02 | C04 | O05 | H041 | 119.5° | 120.1° |
| C02 | C04 | C07 | O08 | 177.1° | 62.9° |
| C02 | C04 | O05 | C06 | 135.7° | 150.0° |
| C04 | C02 | C01 | H013 | 52.8° | 60.0° |
| C04 | C02 | C01 | H012 | 67.3° | 180.0° |
| C04 | C02 | C01 | H011 | 172.7° | 60.0° |
| C04 | C02 | C03 | H033 | 54.1° | 49.8° |
| C04 | C02 | C03 | H031 | 174.2° | 169.8° |
| C04 | C02 | C03 | H032 | 65.8° | 70.2° |
| C02 | C04 | C07 | H071 | 62.0° | 177.0° |
| C01 | C02 | C04 | C07 | 81.3° | 177.6° |
| C01 | C02 | C04 | O05 | 38.2° | 57.7° |
| C02 | C01 | H013 | H012 | 120.0° | 120.0° |
| C02 | C01 | H013 | H011 | 120.0° | 120.0° |
| C02 | C01 | H012 | H011 | 120.0° | 120.0° |
| C01 | C02 | C03 | H033 | 64.5° | 70.3° |
| C01 | C02 | C03 | H031 | 55.6° | 49.8° |
| C01 | C02 | C03 | H032 | 175.6° | 169.8° |
| C01 | C02 | C04 | H041 | 158.4° | 62.4° |
| C28 | C27 | C26 | H262 | 62.8° | 60.0° |
| C28 | C27 | C26 | H261 | 178.1° | 180.0° |
| C27 | C28 | H282 | H281 | 119.2° | 120.0° |
| C27 | C28 | C29 | H291 | 179.1° | 180.0° |
| C28 | C27 | C31 | H311 | 179.7° | 60.0° |
| C28 | C27 | C31 | H312 | 59.5° | 180.0° |
| C40 | C39 | O37 | C36 | 179.9° | 179.8° |
| C39 | C40 | C41 | H413 | 90.2° | 89.5° |
| C39 | C40 | C41 | H411 | 29.8° | 30.4° |
| C39 | C40 | C41 | H412 | 149.8° | 150.5° |
| O37 | C39 | C40 | C41 | 0.2° | 0.2° |
| C39 | O37 | C36 | O38 | 179.6° | 180.0° |
| C40 | C41 | H413 | H411 | 120.0° | 120.0° |
| C40 | C41 | H413 | H412 | 120.0° | 120.0° |
| C40 | C41 | H411 | H412 | 120.0° | 120.0° |
| C07 | C04 | O05 | H041 | 117.6° | 120.2° |
| C04 | C07 | O08 | H071 | 120.0° | 120.2° |
| C04 | C07 | O08 | C09 | 112.7° | 150.0° |
| C07 | C04 | O05 | C06 | 101.4° | 90.3° |
| C04 | C07 | C12 | H121 | 179.2° | 62.9° |
| O05 | C04 | C07 | O08 | 61.8° | 177.2° |
| C04 | O05 | C06 | H062 | 180.0° | 60.0° |
| C04 | O05 | C06 | H063 | 60.0° | 179.9° |
| C04 | O05 | C06 | H061 | 60.0° | 60.0° |
| O05 | C04 | C07 | H071 | 59.1° | 57.1° |
| C07 | O08 | C09 | O11 | 9.0° | 0.1° |
| C07 | O08 | C09 | N10 | 171.2° | 180.0° |
| O08 | C07 | C04 | H041 | 56.6° | 57.0° |
| O08 | C07 | C12 | H121 | 57.3° | 177.2° |
| O08 | C09 | O11 | N10 | 179.8° | 179.9° |
| C09 | O08 | C07 | H071 | 7.3° | 29.8° |
| O08 | C09 | N10 | H101 | 179.8° | 180.0° |
| O08 | C09 | N10 | H102 | 0.2° | 0.0° |
| C06 | O05 | C04 | H041 | 16.2° | 29.9° |
| O05 | C06 | H062 | H063 | 120.0° | 120.0° |
| O05 | C06 | H062 | H061 | 120.0° | 120.0° |
| O05 | C06 | H063 | H061 | 120.0° | 120.0° |
| O11 | C09 | N10 | H101 | 0.0° | 0.1° |
| O11 | C09 | N10 | H102 | 180.0° | 180.0° |
| C09 | N10 | H101 | H102 | 180.0° | 180.0° |
| H171 | C17 | C18 | H181 | 0.4° | 0.2° |
| H262 | C26 | C27 | H271 | 58.1° | 60.0° |
| H261 | C26 | C27 | H271 | 61.0° | 59.9° |
| H282 | C28 | C27 | H271 | 61.1° | 60.0° |
| H282 | C28 | C29 | H291 | 60.6° | 60.0° |
| H281 | C28 | C27 | H271 | 58.4° | 59.9° |
| H281 | C28 | C29 | H291 | 58.9° | 60.0° |
| H013 | C01 | H012 | H011 | 120.0° | 120.0° |
| H033 | C03 | H031 | H032 | 120.0° | 120.0° |
| H041 | C04 | C07 | H071 | 177.5° | 63.1° |
| H062 | C06 | H063 | H061 | 120.0° | 120.0° |
| H071 | C07 | C12 | H121 | 62.6° | 57.0° |
| H121 | C12 | C14 | H141 | 69.5° | 177.7° |
| H121 | C12 | O13 | H131 | 53.2° | 59.8° |
| H271 | C27 | C31 | H311 | 59.1° | 59.9° |
| H271 | C27 | C31 | H312 | 61.2° | 60.0° |
| H291 | C29 | C30 | H302 | 61.3° | 60.0° |
| H291 | C29 | C30 | H301 | 58.0° | 60.0° |
| H291 | C29 | C33 | H331 | 60.3° | 60.0° |
| H291 | C29 | C33 | H332 | 60.0° | 59.9° |
| H311 | C31 | C32 | H321 | 59.5° | 59.9° |
| H312 | C31 | C32 | H321 | 60.7° | 60.0° |
| H321 | C32 | C33 | H331 | 60.5° | 60.0° |
| H321 | C32 | C33 | H332 | 59.8° | 60.0° |
| H321 | C32 | C34 | H341 | 59.8° | 60.0° |
| H321 | C32 | C34 | H342 | 60.3° | 60.0° |
| H413 | C41 | H411 | H412 | 120.0° | 120.0° |
