UBM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.36Å | 1.37Å | Aromatic |
| C01 | C06 | sing | 1.40Å | 1.39Å | Aromatic |
| C02 | C03 | sing | 1.41Å | 1.45Å | Aromatic |
| O07 | C06 | sing | 1.36Å | 1.37Å | |
| C06 | C05 | doub | 1.38Å | 1.38Å | Aromatic |
| C03 | C17 | sing | 1.41Å | 1.41Å | |
| C03 | C04 | doub | 1.41Å | 1.41Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.40Å | |
| O15 | C14 | doub | 1.22Å | 1.22Å | |
| C05 | C04 | sing | 1.39Å | 1.41Å | Aromatic |
| C04 | N08 | sing | 1.38Å | 1.40Å | |
| C16 | C14 | sing | 1.47Å | 1.41Å | |
| C16 | C09 | sing | 1.47Å | 1.40Å | |
| C14 | N13 | sing | 1.35Å | 1.38Å | |
| N08 | C09 | sing | 1.36Å | 1.36Å | |
| N08 | C18 | sing | 1.47Å | 1.48Å | |
| C09 | N10 | doub | 1.33Å | 1.35Å | |
| N13 | C11 | sing | 1.34Å | 1.36Å | |
| C18 | C19 | sing | 1.53Å | 1.52Å | |
| N10 | C11 | sing | 1.33Å | 1.32Å | |
| C11 | O12 | doub | 1.22Å | 1.22Å | |
| O23 | C19 | sing | 1.43Å | 1.42Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| O24 | C20 | sing | 1.43Å | 1.46Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| O25 | C21 | sing | 1.43Å | 1.45Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C22 | O27 | sing | 1.43Å | 1.45Å | |
| O27 | P26 | sing | 1.61Å | 1.61Å | |
| O43 | P26 | sing | 1.61Å | 1.58Å | |
| O43 | C42 | sing | 1.43Å | 1.41Å | |
| C30 | C42 | sing | 1.53Å | 1.53Å | |
| P26 | O28 | doub | 1.48Å | 1.51Å | |
| P26 | O29 | sing | 1.61Å | 1.50Å | |
| O37 | C41 | doub | 1.21Å | 1.24Å | |
| C42 | C41 | sing | 1.51Å | 1.51Å | |
| C41 | N31 | sing | 1.35Å | 1.32Å | |
| N31 | C34 | sing | 1.46Å | 1.45Å | |
| C34 | C36 | sing | 1.53Å | 1.52Å | |
| C34 | C33 | sing | 1.51Å | 1.54Å | |
| C36 | C38 | sing | 1.53Å | 1.51Å | |
| C33 | O35 | doub | 1.21Å | 1.24Å | |
| C33 | O32 | sing | 1.34Å | 1.24Å | |
| O40 | C39 | doub | 1.21Å | 1.23Å | |
| C38 | C39 | sing | 1.51Å | 1.51Å | |
| C39 | N49 | sing | 1.35Å | 1.33Å | |
| N49 | C46 | sing | 1.46Å | 1.46Å | |
| O71 | C69 | doub | 1.21Å | 1.26Å | |
| O44 | C45 | doub | 1.21Å | 1.25Å | |
| C46 | C45 | sing | 1.51Å | 1.55Å | |
| C46 | C48 | sing | 1.53Å | 1.54Å | |
| C45 | O47 | sing | 1.34Å | 1.24Å | |
| C50 | C48 | sing | 1.53Å | 1.53Å | |
| C50 | C51 | sing | 1.51Å | 1.52Å | |
| C69 | C68 | sing | 1.51Å | 1.53Å | |
| C69 | O70 | sing | 1.34Å | 1.25Å | |
| C68 | C66 | sing | 1.53Å | 1.52Å | |
| C66 | C64 | sing | 1.53Å | 1.54Å | |
| C51 | N53 | sing | 1.35Å | 1.33Å | |
| C51 | O52 | doub | 1.21Å | 1.24Å | |
| N53 | C56 | sing | 1.47Å | 1.45Å | |
| C58 | C56 | sing | 1.53Å | 1.53Å | |
| C58 | C59 | sing | 1.53Å | 1.52Å | |
| O65 | C63 | doub | 1.21Å | 1.25Å | |
| O61 | C60 | doub | 1.21Å | 1.23Å | |
| C56 | C55 | sing | 1.51Å | 1.55Å | |
| C60 | N67 | sing | 1.35Å | 1.35Å | |
| C60 | C59 | sing | 1.51Å | 1.51Å | |
| C64 | N67 | sing | 1.47Å | 1.46Å | |
| C64 | C63 | sing | 1.51Å | 1.54Å | |
| C63 | O62 | sing | 1.34Å | 1.25Å | |
| C55 | O57 | doub | 1.21Å | 1.23Å | |
| C55 | O54 | sing | 1.34Å | 1.26Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C42 | H421 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.09Å | 1.10Å | |
| C48 | H482 | sing | 1.09Å | 1.10Å | |
| C48 | H481 | sing | 1.09Å | 1.10Å | |
| C50 | H501 | sing | 1.09Å | 1.10Å | |
| C50 | H502 | sing | 1.09Å | 1.10Å | |
| C56 | H561 | sing | 1.09Å | 1.10Å | |
| C58 | H582 | sing | 1.09Å | 1.10Å | |
| C58 | H581 | sing | 1.09Å | 1.10Å | |
| C59 | H591 | sing | 1.09Å | 1.10Å | |
| C59 | H592 | sing | 1.09Å | 1.10Å | |
| C64 | H641 | sing | 1.09Å | 1.10Å | |
| C66 | H661 | sing | 1.09Å | 1.10Å | |
| C66 | H662 | sing | 1.09Å | 1.10Å | |
| C68 | H682 | sing | 1.09Å | 1.10Å | |
| C68 | H681 | sing | 1.09Å | 1.10Å | |
| N13 | H2 | sing | 0.97Å | 1.00Å | |
| N31 | H311 | sing | 0.97Å | 1.00Å | |
| N49 | H491 | sing | 0.97Å | 1.00Å | |
| N53 | H531 | sing | 0.97Å | 1.00Å | |
| N67 | H671 | sing | 0.97Å | 1.00Å | |
| O07 | H071 | sing | 0.97Å | 0.95Å | |
| O23 | H231 | sing | 0.97Å | 0.95Å | |
| O24 | H241 | sing | 0.97Å | 0.95Å | |
| O25 | H251 | sing | 0.97Å | 0.95Å | |
| O29 | H3 | sing | 0.97Å | 0.95Å | |
| O32 | H4 | sing | 0.97Å | 0.95Å | |
| O47 | H5 | sing | 0.97Å | 0.95Å | |
| O54 | H6 | sing | 0.97Å | 0.95Å | |
| O62 | H7 | sing | 0.97Å | 0.95Å | |
| O70 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C06 | 120.0° | 120.5° |
| C01 | C02 | C03 | 120.5° | 120.0° |
| C02 | C01 | H011 | 120.0° | 119.8° |
| C01 | C02 | H021 | 119.7° | 120.0° |
| C01 | C06 | O07 | 121.1° | 119.7° |
| C01 | C06 | C05 | 120.9° | 120.6° |
| C06 | C01 | H011 | 120.0° | 119.8° |
| C02 | C03 | C17 | 121.8° | 120.0° |
| C02 | C03 | C04 | 118.8° | 119.8° |
| C03 | C02 | H021 | 119.8° | 120.0° |
| O07 | C06 | C05 | 118.0° | 119.7° |
| C06 | O07 | H071 | 109.5° | 114.0° |
| C06 | C05 | C04 | 120.8° | 119.9° |
| C06 | C05 | H051 | 119.6° | 120.1° |
| C17 | C03 | C04 | 119.5° | 120.2° |
| C03 | C17 | C16 | 120.1° | 118.7° |
| C03 | C17 | H171 | 120.0° | 120.6° |
| C03 | C04 | C05 | 119.1° | 119.3° |
| C03 | C04 | N08 | 119.0° | 120.9° |
| C17 | C16 | C14 | 123.0° | 122.2° |
| C17 | C16 | C09 | 119.7° | 120.0° |
| C16 | C17 | H171 | 119.9° | 120.7° |
| O15 | C14 | C16 | 119.6° | 121.4° |
| O15 | C14 | N13 | 121.3° | 121.4° |
| C05 | C04 | N08 | 121.9° | 119.8° |
| C04 | C05 | H051 | 119.6° | 120.0° |
| C04 | N08 | C09 | 121.6° | 120.4° |
| C04 | N08 | C18 | 123.3° | 119.8° |
| C14 | C16 | C09 | 117.3° | 117.8° |
| C16 | C14 | N13 | 119.1° | 117.2° |
| C16 | C09 | N08 | 120.2° | 119.7° |
| C16 | C09 | N10 | 121.1° | 118.4° |
| C14 | N13 | C11 | 120.1° | 121.1° |
| C14 | N13 | H2 | 119.9° | 119.4° |
| C09 | N08 | C18 | 115.1° | 119.8° |
| N08 | C09 | N10 | 118.7° | 121.9° |
| N08 | C18 | C19 | 115.7° | 109.5° |
| N08 | C18 | H182 | 107.9° | 109.5° |
| N08 | C18 | H181 | 107.9° | 109.4° |
| C09 | N10 | C11 | 120.7° | 121.5° |
| N13 | C11 | N10 | 121.7° | 124.1° |
| N13 | C11 | O12 | 120.5° | 118.0° |
| C11 | N13 | H2 | 120.0° | 119.4° |
| C18 | C19 | O23 | 104.4° | 109.4° |
| C18 | C19 | C20 | 108.7° | 109.5° |
| C19 | C18 | H182 | 107.9° | 109.5° |
| C19 | C18 | H181 | 107.9° | 109.4° |
| C18 | C19 | H191 | 108.4° | 109.5° |
| N10 | C11 | O12 | 117.8° | 118.0° |
| O23 | C19 | C20 | 117.2° | 109.4° |
| O23 | C19 | H191 | 109.7° | 109.4° |
| C19 | O23 | H231 | 109.5° | 114.0° |
| C19 | C20 | O24 | 111.9° | 109.4° |
| C19 | C20 | C21 | 112.0° | 109.5° |
| C20 | C19 | H191 | 108.1° | 109.5° |
| C19 | C20 | H201 | 108.5° | 109.5° |
| O24 | C20 | C21 | 106.3° | 109.5° |
| O24 | C20 | H201 | 109.6° | 109.4° |
| C20 | O24 | H241 | 109.5° | 114.0° |
| C20 | C21 | O25 | 113.9° | 109.5° |
| C20 | C21 | C22 | 110.6° | 109.5° |
| C21 | C20 | H201 | 108.6° | 109.5° |
| C20 | C21 | H211 | 106.7° | 109.5° |
| O25 | C21 | C22 | 110.6° | 109.5° |
| O25 | C21 | H211 | 107.7° | 109.5° |
| C21 | O25 | H251 | 109.5° | 114.0° |
| C21 | C22 | O27 | 108.2° | 109.5° |
| C22 | C21 | H211 | 106.9° | 109.4° |
| C21 | C22 | H221 | 109.8° | 109.5° |
| C21 | C22 | H222 | 109.8° | 109.5° |
| C22 | O27 | P26 | 117.7° | 123.0° |
| O27 | C22 | H221 | 109.8° | 109.4° |
| O27 | C22 | H222 | 109.8° | 109.4° |
| O27 | P26 | O43 | 100.1° | 109.5° |
| O27 | P26 | O28 | 101.3° | 109.5° |
| O27 | P26 | O29 | 109.1° | 109.4° |
| P26 | O43 | C42 | 119.3° | 123.0° |
| O43 | P26 | O28 | 112.9° | 109.5° |
| O43 | P26 | O29 | 109.2° | 109.5° |
| O43 | C42 | C30 | 110.4° | 109.5° |
| O43 | C42 | C41 | 106.9° | 109.5° |
| O43 | C42 | H421 | 110.7° | 109.5° |
| C30 | C42 | C41 | 110.4° | 109.5° |
| C42 | C30 | H303 | 109.5° | 109.4° |
| C42 | C30 | H301 | 109.4° | 109.4° |
| C42 | C30 | H302 | 109.5° | 109.4° |
| C30 | C42 | H421 | 109.1° | 109.5° |
| O28 | P26 | O29 | 121.7° | 109.5° |
| P26 | O29 | H3 | 109.5° | 114.0° |
| O37 | C41 | C42 | 119.6° | 120.0° |
| O37 | C41 | N31 | 122.1° | 120.0° |
| C42 | C41 | N31 | 118.2° | 120.0° |
| C41 | C42 | H421 | 109.3° | 109.4° |
| C41 | N31 | C34 | 120.2° | 120.0° |
| C41 | N31 | H311 | 119.9° | 120.0° |
| N31 | C34 | C36 | 113.1° | 109.5° |
| N31 | C34 | C33 | 109.9° | 109.5° |
| N31 | C34 | H341 | 108.6° | 109.5° |
| C34 | N31 | H311 | 119.9° | 120.0° |
| C36 | C34 | C33 | 110.0° | 109.4° |
| C34 | C36 | C38 | 112.5° | 109.4° |
| C36 | C34 | H341 | 107.7° | 109.5° |
| C34 | C36 | H362 | 108.7° | 109.4° |
| C34 | C36 | H361 | 108.7° | 109.5° |
| C34 | C33 | O35 | 117.7° | 120.0° |
| C34 | C33 | O32 | 117.0° | 120.0° |
| C33 | C34 | H341 | 107.4° | 109.5° |
| C36 | C38 | C39 | 108.8° | 109.4° |
| C38 | C36 | H362 | 108.7° | 109.4° |
| C38 | C36 | H361 | 108.7° | 109.5° |
| C36 | C38 | H382 | 109.7° | 109.4° |
| C36 | C38 | H381 | 109.6° | 109.5° |
| O35 | C33 | O32 | 125.3° | 120.0° |
| C33 | O32 | H4 | 109.5° | 117.0° |
| O40 | C39 | C38 | 122.1° | 120.0° |
| O40 | C39 | N49 | 121.6° | 120.0° |
| C38 | C39 | N49 | 116.4° | 120.0° |
| C39 | C38 | H382 | 109.6° | 109.5° |
| C39 | C38 | H381 | 109.6° | 109.5° |
| C39 | N49 | C46 | 123.6° | 120.0° |
| C39 | N49 | H491 | 118.2° | 120.0° |
| N49 | C46 | C45 | 110.3° | 109.5° |
| N49 | C46 | C48 | 110.6° | 109.4° |
| N49 | C46 | H461 | 107.3° | 109.5° |
| C46 | N49 | H491 | 118.2° | 120.1° |
| O71 | C69 | C68 | 119.2° | 120.0° |
| O71 | C69 | O70 | 123.0° | 119.9° |
| O44 | C45 | C46 | 118.3° | 119.9° |
| O44 | C45 | O47 | 124.0° | 120.0° |
| C45 | C46 | C48 | 115.6° | 109.5° |
| C46 | C45 | O47 | 117.7° | 120.0° |
| C45 | C46 | H461 | 106.2° | 109.4° |
| C46 | C48 | C50 | 111.9° | 109.5° |
| C48 | C46 | H461 | 106.4° | 109.4° |
| C46 | C48 | H482 | 108.8° | 109.5° |
| C46 | C48 | H481 | 108.8° | 109.4° |
| C45 | O47 | H5 | 109.5° | 117.0° |
| C48 | C50 | C51 | 115.1° | 109.5° |
| C50 | C48 | H482 | 108.9° | 109.5° |
| C50 | C48 | H481 | 108.8° | 109.5° |
| C48 | C50 | H501 | 108.1° | 109.5° |
| C48 | C50 | H502 | 108.0° | 109.4° |
| C50 | C51 | N53 | 115.8° | 120.0° |
| C50 | C51 | O52 | 122.8° | 119.9° |
| C51 | C50 | H501 | 108.0° | 109.5° |
| C51 | C50 | H502 | 108.1° | 109.4° |
| C68 | C69 | O70 | 117.8° | 120.0° |
| C69 | C68 | C66 | 117.6° | 109.5° |
| C69 | C68 | H682 | 107.4° | 109.5° |
| C69 | C68 | H681 | 107.4° | 109.5° |
| C69 | O70 | H8 | 109.5° | 117.0° |
| C68 | C66 | C64 | 115.0° | 109.5° |
| C68 | C66 | H661 | 108.1° | 109.4° |
| C68 | C66 | H662 | 108.1° | 109.4° |
| C66 | C68 | H682 | 107.4° | 109.4° |
| C66 | C68 | H681 | 107.4° | 109.5° |
| C66 | C64 | N67 | 113.6° | 109.4° |
| C66 | C64 | C63 | 112.5° | 109.5° |
| C66 | C64 | H641 | 106.8° | 109.5° |
| C64 | C66 | H661 | 108.1° | 109.5° |
| C64 | C66 | H662 | 108.1° | 109.5° |
| N53 | C51 | O52 | 121.4° | 120.0° |
| C51 | N53 | C56 | 123.6° | 120.0° |
| C51 | N53 | H531 | 118.2° | 120.0° |
| N53 | C56 | C58 | 113.1° | 109.4° |
| N53 | C56 | C55 | 109.5° | 109.5° |
| N53 | C56 | H561 | 109.1° | 109.5° |
| C56 | N53 | H531 | 118.2° | 120.0° |
| C56 | C58 | C59 | 111.7° | 109.4° |
| C58 | C56 | C55 | 109.2° | 109.4° |
| C58 | C56 | H561 | 108.1° | 109.5° |
| C56 | C58 | H582 | 108.9° | 109.5° |
| C56 | C58 | H581 | 108.9° | 109.4° |
| C58 | C59 | C60 | 113.2° | 109.5° |
| C59 | C58 | H582 | 108.9° | 109.5° |
| C59 | C58 | H581 | 108.9° | 109.5° |
| C58 | C59 | H591 | 108.5° | 109.5° |
| C58 | C59 | H592 | 108.5° | 109.5° |
| O65 | C63 | C64 | 117.8° | 120.0° |
| O65 | C63 | O62 | 125.1° | 120.0° |
| O61 | C60 | N67 | 125.0° | 120.0° |
| O61 | C60 | C59 | 119.9° | 120.0° |
| C56 | C55 | O57 | 116.0° | 120.0° |
| C56 | C55 | O54 | 118.7° | 120.0° |
| C55 | C56 | H561 | 107.8° | 109.5° |
| N67 | C60 | C59 | 115.1° | 120.0° |
| C60 | N67 | C64 | 130.1° | 120.0° |
| C60 | N67 | H671 | 115.0° | 120.0° |
| C60 | C59 | H591 | 108.5° | 109.5° |
| C60 | C59 | H592 | 108.5° | 109.5° |
| N67 | C64 | C63 | 109.0° | 109.5° |
| N67 | C64 | H641 | 107.7° | 109.5° |
| C64 | N67 | H671 | 114.9° | 120.0° |
| C64 | C63 | O62 | 117.1° | 119.9° |
| C63 | C64 | H641 | 106.8° | 109.5° |
| C63 | O62 | H7 | 109.5° | 117.0° |
| O57 | C55 | O54 | 125.3° | 120.0° |
| C55 | O54 | H6 | 109.5° | 117.0° |
| H182 | C18 | H181 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H303 | C30 | H301 | 109.5° | 109.5° |
| H303 | C30 | H302 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H362 | C36 | H361 | 109.5° | 109.5° |
| H382 | C38 | H381 | 109.5° | 109.5° |
| H482 | C48 | H481 | 109.5° | 109.5° |
| H501 | C50 | H502 | 109.4° | 109.4° |
| H582 | C58 | H581 | 109.5° | 109.4° |
| H591 | C59 | H592 | 109.5° | 109.5° |
| H661 | C66 | H662 | 109.5° | 109.5° |
| H682 | C68 | H681 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C06 | H011 | 180.0° | 179.9° |
| C01 | C02 | C03 | H021 | 180.0° | 180.0° |
| C02 | C01 | C06 | O07 | 180.0° | 180.0° |
| C02 | C01 | C06 | C05 | 0.0° | 0.1° |
| C01 | C02 | C03 | C17 | 179.5° | 180.0° |
| C01 | C02 | C03 | C04 | 0.3° | 0.1° |
| C06 | C01 | C02 | C03 | 0.2° | 0.1° |
| C01 | C06 | O07 | C05 | 180.0° | 179.9° |
| C01 | C06 | C05 | C04 | 0.2° | 0.1° |
| C06 | C01 | C02 | H021 | 179.7° | 179.9° |
| C01 | C06 | C05 | H051 | 179.8° | 180.0° |
| C01 | C06 | O07 | H071 | 180.0° | 90.0° |
| C02 | C03 | C17 | C04 | 179.8° | 179.9° |
| C02 | C03 | C17 | C16 | 179.7° | 180.0° |
| C02 | C03 | C04 | C05 | 0.1° | 0.1° |
| C02 | C03 | C04 | N08 | 179.5° | 180.0° |
| C03 | C02 | C01 | H011 | 179.7° | 180.0° |
| C02 | C03 | C17 | H171 | 0.4° | 0.0° |
| O07 | C06 | C05 | C04 | 179.8° | 180.0° |
| O07 | C06 | C01 | H011 | 0.0° | 0.1° |
| O07 | C06 | C05 | H051 | 0.2° | 0.1° |
| C06 | C05 | C04 | C03 | 0.2° | 0.1° |
| C06 | C05 | C04 | H051 | 180.0° | 179.9° |
| C06 | C05 | C04 | N08 | 179.7° | 180.0° |
| C05 | C06 | C01 | H011 | 180.0° | 180.0° |
| C05 | C06 | O07 | H071 | 0.0° | 90.1° |
| C03 | C17 | C16 | H171 | 180.0° | 180.0° |
| C17 | C03 | C04 | C05 | 179.7° | 180.0° |
| C17 | C03 | C04 | N08 | 0.7° | 0.0° |
| C03 | C17 | C16 | C14 | 179.7° | 180.0° |
| C03 | C17 | C16 | C09 | 0.5° | 0.0° |
| C17 | C03 | C02 | H021 | 0.5° | 0.0° |
| C04 | C03 | C17 | C16 | 0.6° | 0.0° |
| C03 | C04 | C05 | N08 | 179.5° | 179.9° |
| C03 | C04 | N08 | C09 | 0.9° | 0.1° |
| C03 | C04 | N08 | C18 | 179.6° | 180.0° |
| C04 | C03 | C02 | H021 | 179.7° | 179.9° |
| C03 | C04 | C05 | H051 | 179.8° | 180.0° |
| C04 | C03 | C17 | H171 | 179.4° | 179.9° |
| C17 | C16 | C14 | O15 | 0.2° | 0.4° |
| C17 | C16 | C14 | C09 | 179.8° | 180.0° |
| C17 | C16 | C14 | N13 | 179.7° | 180.0° |
| C17 | C16 | C09 | N08 | 0.7° | 0.0° |
| C17 | C16 | C09 | N10 | 179.7° | 180.0° |
| O15 | C14 | C16 | N13 | 179.9° | 179.6° |
| O15 | C14 | C16 | C09 | 180.0° | 179.7° |
| O15 | C14 | N13 | C11 | 180.0° | 179.7° |
| O15 | C14 | N13 | H2 | 0.0° | 0.3° |
| C05 | C04 | N08 | C09 | 179.5° | 180.0° |
| C05 | C04 | N08 | C18 | 0.9° | 0.1° |
| C04 | N08 | C09 | C16 | 0.9° | 0.1° |
| C04 | N08 | C09 | C18 | 178.7° | 179.9° |
| C04 | N08 | C09 | N10 | 179.5° | 180.0° |
| C04 | N08 | C18 | C19 | 98.4° | 90.0° |
| N08 | C04 | C05 | H051 | 0.3° | 0.0° |
| C04 | N08 | C18 | H182 | 140.7° | 30.0° |
| C04 | N08 | C18 | H181 | 22.5° | 150.1° |
| C14 | C16 | C09 | N08 | 179.5° | 179.9° |
| C14 | C16 | C09 | N10 | 0.1° | 0.0° |
| C16 | C14 | N13 | C11 | 0.1° | 0.0° |
| C14 | C16 | C17 | H171 | 0.4° | 0.1° |
| C16 | C14 | N13 | H2 | 179.9° | 179.9° |
| C09 | C16 | C14 | N13 | 0.1° | 0.0° |
| C16 | C09 | N08 | N10 | 179.6° | 179.9° |
| C16 | C09 | N08 | C18 | 179.6° | 180.0° |
| C16 | C09 | N10 | C11 | 0.1° | 0.1° |
| C09 | C16 | C17 | H171 | 179.4° | 179.9° |
| C14 | N13 | C11 | H2 | 180.0° | 179.9° |
| C14 | N13 | C11 | N10 | 0.0° | 0.0° |
| C14 | N13 | C11 | O12 | 179.9° | 180.0° |
| C09 | N08 | C18 | C19 | 82.9° | 89.9° |
| N08 | C09 | N10 | C11 | 179.5° | 180.0° |
| C09 | N08 | C18 | H182 | 38.0° | 150.0° |
| C09 | N08 | C18 | H181 | 156.2° | 30.0° |
| C18 | N08 | C09 | N10 | 0.8° | 0.1° |
| N08 | C18 | C19 | H182 | 120.9° | 120.1° |
| N08 | C18 | C19 | H181 | 120.9° | 119.9° |
| N08 | C18 | C19 | O23 | 68.4° | 60.0° |
| N08 | C18 | C19 | C20 | 165.8° | 180.0° |
| N08 | C18 | H182 | H181 | 117.2° | 120.0° |
| N08 | C18 | C19 | H191 | 48.4° | 59.9° |
| C09 | N10 | C11 | N13 | 0.0° | 0.1° |
| C09 | N10 | C11 | O12 | 179.9° | 179.9° |
| N13 | C11 | N10 | O12 | 180.0° | 180.0° |
| C18 | C19 | O23 | C20 | 120.3° | 120.0° |
| C18 | C19 | O23 | H191 | 116.0° | 120.0° |
| C18 | C19 | C20 | H191 | 117.5° | 120.1° |
| C18 | C19 | C20 | O24 | 60.6° | 60.0° |
| C18 | C19 | C20 | C21 | 58.6° | 180.0° |
| C19 | C18 | H182 | H181 | 117.2° | 120.0° |
| C18 | C19 | C20 | H201 | 178.4° | 59.9° |
| C18 | C19 | O23 | H231 | 180.0° | 60.0° |
| N10 | C11 | N13 | H2 | 179.9° | 179.9° |
| O12 | C11 | N13 | H2 | 0.1° | 0.0° |
| O23 | C19 | C20 | H191 | 124.5° | 120.0° |
| O23 | C19 | C20 | O24 | 57.4° | 180.0° |
| O23 | C19 | C20 | C21 | 176.5° | 60.0° |
| O23 | C19 | C18 | H182 | 170.7° | 60.0° |
| O23 | C19 | C18 | H181 | 52.5° | 180.0° |
| O23 | C19 | C20 | H201 | 63.6° | 60.0° |
| C19 | C20 | O24 | C21 | 122.5° | 120.0° |
| C19 | C20 | O24 | H201 | 120.4° | 120.0° |
| C19 | C20 | C21 | H201 | 119.8° | 120.1° |
| C19 | C20 | C21 | O25 | 41.1° | 60.0° |
| C19 | C20 | C21 | C22 | 166.4° | 179.9° |
| C20 | C19 | C18 | H182 | 44.9° | 59.9° |
| C20 | C19 | C18 | H181 | 73.3° | 60.1° |
| C19 | C20 | C21 | H211 | 77.6° | 60.0° |
| C20 | C19 | O23 | H231 | 59.7° | 60.1° |
| C19 | C20 | O24 | H241 | 180.0° | 60.0° |
| O24 | C20 | C21 | H201 | 117.8° | 120.0° |
| O24 | C20 | C21 | O25 | 163.6° | 180.0° |
| O24 | C20 | C21 | C22 | 71.2° | 60.0° |
| O24 | C20 | C19 | H191 | 178.1° | 60.0° |
| O24 | C20 | C21 | H211 | 44.8° | 60.0° |
| C20 | C21 | O25 | C22 | 125.3° | 120.1° |
| C20 | C21 | O25 | H211 | 118.1° | 120.0° |
| C20 | C21 | C22 | H211 | 115.8° | 120.0° |
| C20 | C21 | C22 | O27 | 58.6° | 175.0° |
| C21 | C20 | C19 | H191 | 58.9° | 60.0° |
| C20 | C21 | C22 | H221 | 178.4° | 55.0° |
| C20 | C21 | C22 | H222 | 61.2° | 65.0° |
| C21 | C20 | O24 | H241 | 57.5° | 60.0° |
| C20 | C21 | O25 | H251 | 104.7° | 60.0° |
| O25 | C21 | C22 | H211 | 117.0° | 120.0° |
| O25 | C21 | C22 | O27 | 68.6° | 64.9° |
| O25 | C21 | C20 | H201 | 78.7° | 60.0° |
| O25 | C21 | C22 | H221 | 51.2° | 175.0° |
| O25 | C21 | C22 | H222 | 171.6° | 55.0° |
| C21 | C22 | O27 | H221 | 119.8° | 120.1° |
| C21 | C22 | O27 | H222 | 119.8° | 120.0° |
| C21 | C22 | O27 | P26 | 163.2° | 180.0° |
| C22 | C21 | C20 | H201 | 46.6° | 60.0° |
| C21 | C22 | H221 | H222 | 120.6° | 120.0° |
| C22 | C21 | O25 | H251 | 130.0° | 60.1° |
| C22 | O27 | P26 | O43 | 61.4° | 175.0° |
| C22 | O27 | P26 | O28 | 177.3° | 54.9° |
| C22 | O27 | P26 | O29 | 53.2° | 65.1° |
| O27 | C22 | C21 | H211 | 174.4° | 55.0° |
| O27 | C22 | H221 | H222 | 120.6° | 119.9° |
| O27 | P26 | O43 | O28 | 106.9° | 120.0° |
| O27 | P26 | O43 | O29 | 114.4° | 119.9° |
| O27 | P26 | O43 | C42 | 154.3° | 175.0° |
| O27 | P26 | O28 | O29 | 121.0° | 119.9° |
| P26 | O27 | C22 | H221 | 77.1° | 59.9° |
| P26 | O27 | C22 | H222 | 43.3° | 60.0° |
| O27 | P26 | O29 | H3 | 117.2° | 60.0° |
| P26 | O43 | C42 | C30 | 135.2° | 120.0° |
| O43 | P26 | O28 | O29 | 132.9° | 120.0° |
| P26 | O43 | C42 | C41 | 104.7° | 120.0° |
| P26 | O43 | C42 | H421 | 14.4° | 0.0° |
| O43 | P26 | O29 | H3 | 134.3° | 60.0° |
| O43 | C42 | C30 | C41 | 118.0° | 120.0° |
| O43 | C42 | C30 | H421 | 121.9° | 120.0° |
| C42 | O43 | P26 | O28 | 98.8° | 55.0° |
| C42 | O43 | P26 | O29 | 39.8° | 65.0° |
| O43 | C42 | C41 | O37 | 40.9° | 5.0° |
| O43 | C42 | C41 | H421 | 119.9° | 120.0° |
| O43 | C42 | C41 | N31 | 139.4° | 175.0° |
| O43 | C42 | C30 | H303 | 180.0° | 60.0° |
| O43 | C42 | C30 | H301 | 60.0° | 180.0° |
| O43 | C42 | C30 | H302 | 60.0° | 60.0° |
| C30 | C42 | C41 | O37 | 79.2° | 115.0° |
| C30 | C42 | C41 | H421 | 120.0° | 120.0° |
| C30 | C42 | C41 | N31 | 100.5° | 65.0° |
| C42 | C30 | H303 | H301 | 120.0° | 120.0° |
| C42 | C30 | H303 | H302 | 120.0° | 120.0° |
| C42 | C30 | H301 | H302 | 120.0° | 119.9° |
| O28 | P26 | O29 | H3 | 0.0° | 180.0° |
| O37 | C41 | C42 | N31 | 179.7° | 180.0° |
| O37 | C41 | N31 | C34 | 0.6° | 0.0° |
| O37 | C41 | C42 | H421 | 160.8° | 125.0° |
| O37 | C41 | N31 | H311 | 179.5° | 180.0° |
| C42 | C41 | N31 | C34 | 179.2° | 180.0° |
| C41 | C42 | C30 | H303 | 62.0° | 60.0° |
| C41 | C42 | C30 | H301 | 178.0° | 60.0° |
| C41 | C42 | C30 | H302 | 58.0° | 180.0° |
| C42 | C41 | N31 | H311 | 0.8° | 0.0° |
| C41 | N31 | C34 | H311 | 180.0° | 180.0° |
| C41 | N31 | C34 | C36 | 96.7° | 155.0° |
| C41 | N31 | C34 | C33 | 140.0° | 85.0° |
| C41 | N31 | C34 | H341 | 22.8° | 35.0° |
| N31 | C41 | C42 | H421 | 19.5° | 55.0° |
| N31 | C34 | C36 | C33 | 123.2° | 120.0° |
| N31 | C34 | C36 | H341 | 120.0° | 120.0° |
| N31 | C34 | C33 | H341 | 117.9° | 120.0° |
| N31 | C34 | C36 | C38 | 53.8° | 65.0° |
| N31 | C34 | C33 | O35 | 9.4° | 0.1° |
| N31 | C34 | C33 | O32 | 170.6° | 180.0° |
| N31 | C34 | C36 | H362 | 174.3° | 54.9° |
| N31 | C34 | C36 | H361 | 66.6° | 175.0° |
| C36 | C34 | C33 | H341 | 117.0° | 120.0° |
| C34 | C36 | C38 | H362 | 120.5° | 119.9° |
| C34 | C36 | C38 | H361 | 120.5° | 120.0° |
| C36 | C34 | C33 | O35 | 115.7° | 120.1° |
| C36 | C34 | C33 | O32 | 64.3° | 60.0° |
| C34 | C36 | C38 | C39 | 176.4° | 180.0° |
| C34 | C36 | H362 | H361 | 118.6° | 120.1° |
| C34 | C36 | C38 | H382 | 56.5° | 60.1° |
| C34 | C36 | C38 | H381 | 63.7° | 60.0° |
| C36 | C34 | N31 | H311 | 83.3° | 25.0° |
| C33 | C34 | C36 | C38 | 69.4° | 175.0° |
| C34 | C33 | O35 | O32 | 179.9° | 179.9° |
| C33 | C34 | C36 | H362 | 51.1° | 65.0° |
| C33 | C34 | C36 | H361 | 170.1° | 55.0° |
| C33 | C34 | N31 | H311 | 40.0° | 95.0° |
| C34 | C33 | O32 | H4 | 179.9° | 179.9° |
| C36 | C38 | C39 | O40 | 40.8° | 0.1° |
| C36 | C38 | C39 | H382 | 119.9° | 119.9° |
| C36 | C38 | C39 | H381 | 119.9° | 120.0° |
| C36 | C38 | C39 | N49 | 139.1° | 180.0° |
| C38 | C36 | C34 | H341 | 173.8° | 55.0° |
| C38 | C36 | H362 | H361 | 118.6° | 120.0° |
| C36 | C38 | H382 | H381 | 120.3° | 120.1° |
| O35 | C33 | C34 | H341 | 127.4° | 119.9° |
| O35 | C33 | O32 | H4 | 0.0° | 0.0° |
| O32 | C33 | C34 | H341 | 52.7° | 60.0° |
| O40 | C39 | C38 | N49 | 179.9° | 179.9° |
| O40 | C39 | N49 | C46 | 0.1° | 0.0° |
| O40 | C39 | C38 | H382 | 79.1° | 120.0° |
| O40 | C39 | C38 | H381 | 160.7° | 120.0° |
| O40 | C39 | N49 | H491 | 180.0° | 180.0° |
| C38 | C39 | N49 | C46 | 180.0° | 180.0° |
| C39 | C38 | C36 | H362 | 63.1° | 60.1° |
| C39 | C38 | C36 | H361 | 56.0° | 60.0° |
| C39 | C38 | H382 | H381 | 120.3° | 120.0° |
| C38 | C39 | N49 | H491 | 0.1° | 0.0° |
| C39 | N49 | C46 | H491 | 180.0° | 180.0° |
| C39 | N49 | C46 | C45 | 85.9° | 85.0° |
| C39 | N49 | C46 | C48 | 145.1° | 155.0° |
| N49 | C39 | C38 | H382 | 100.9° | 60.1° |
| N49 | C39 | C38 | H381 | 19.3° | 60.0° |
| C39 | N49 | C46 | H461 | 29.4° | 35.0° |
| N49 | C46 | C45 | O44 | 19.2° | 0.0° |
| N49 | C46 | C45 | C48 | 126.3° | 120.0° |
| N49 | C46 | C45 | H461 | 116.0° | 120.1° |
| N49 | C46 | C48 | H461 | 116.2° | 120.0° |
| N49 | C46 | C45 | O47 | 161.4° | 180.0° |
| N49 | C46 | C48 | C50 | 71.2° | 65.0° |
| N49 | C46 | C48 | H482 | 49.1° | 55.0° |
| N49 | C46 | C48 | H481 | 168.4° | 175.0° |
| O71 | C69 | C68 | O70 | 179.8° | 179.9° |
| O71 | C69 | C68 | C66 | 115.9° | 0.0° |
| O71 | C69 | C68 | H682 | 122.9° | 120.0° |
| O71 | C69 | C68 | H681 | 5.3° | 120.0° |
| O71 | C69 | O70 | H8 | 0.0° | 0.1° |
| O44 | C45 | C46 | O47 | 179.4° | 180.0° |
| O44 | C45 | C46 | C48 | 145.5° | 120.0° |
| O44 | C45 | C46 | H461 | 96.8° | 120.1° |
| O44 | C45 | O47 | H5 | 0.0° | 0.0° |
| C45 | C46 | C48 | H461 | 117.6° | 119.9° |
| C45 | C46 | C48 | C50 | 162.6° | 174.9° |
| C45 | C46 | C48 | H482 | 77.0° | 65.0° |
| C45 | C46 | C48 | H481 | 42.3° | 55.0° |
| C45 | C46 | N49 | H491 | 94.2° | 95.0° |
| C46 | C45 | O47 | H5 | 179.3° | 180.0° |
| C48 | C46 | C45 | O47 | 35.1° | 60.0° |
| C46 | C48 | C50 | H482 | 120.4° | 120.0° |
| C46 | C48 | C50 | H481 | 120.4° | 119.9° |
| C46 | C48 | C50 | C51 | 165.1° | 180.0° |
| C46 | C48 | H482 | H481 | 118.9° | 119.9° |
| C46 | C48 | C50 | H501 | 44.3° | 59.9° |
| C46 | C48 | C50 | H502 | 74.0° | 60.0° |
| C48 | C46 | N49 | H491 | 34.9° | 25.0° |
| O47 | C45 | C46 | H461 | 82.6° | 59.9° |
| C48 | C50 | C51 | H501 | 120.8° | 120.1° |
| C48 | C50 | C51 | H502 | 120.8° | 120.0° |
| C48 | C50 | C51 | N53 | 132.8° | 180.0° |
| C48 | C50 | C51 | O52 | 47.3° | 0.0° |
| C50 | C48 | C46 | H461 | 45.0° | 55.0° |
| C50 | C48 | H482 | H481 | 118.9° | 120.0° |
| C48 | C50 | H501 | H502 | 117.4° | 119.9° |
| C50 | C51 | N53 | O52 | 179.9° | 180.0° |
| C50 | C51 | N53 | C56 | 179.6° | 180.0° |
| C51 | C50 | C48 | H482 | 74.5° | 60.0° |
| C51 | C50 | C48 | H481 | 44.8° | 60.1° |
| C51 | C50 | H501 | H502 | 117.4° | 120.0° |
| C50 | C51 | N53 | H531 | 0.4° | 0.1° |
| C69 | C68 | C66 | H682 | 121.2° | 120.0° |
| C69 | C68 | C66 | H681 | 121.2° | 120.0° |
| C69 | C68 | C66 | C64 | 102.7° | 180.0° |
| C69 | C68 | C66 | H661 | 136.5° | 60.0° |
| C69 | C68 | C66 | H662 | 18.1° | 60.0° |
| C69 | C68 | H682 | H681 | 116.4° | 120.1° |
| C68 | C69 | O70 | H8 | 179.8° | 180.0° |
| O70 | C69 | C68 | C66 | 64.0° | 180.0° |
| O70 | C69 | C68 | H682 | 57.2° | 60.1° |
| O70 | C69 | C68 | H681 | 174.9° | 60.0° |
| C68 | C66 | C64 | H661 | 120.8° | 120.0° |
| C68 | C66 | C64 | H662 | 120.8° | 120.0° |
| C68 | C66 | C64 | N67 | 109.5° | 65.0° |
| C68 | C66 | C64 | C63 | 125.9° | 175.0° |
| C68 | C66 | C64 | H641 | 9.1° | 55.0° |
| C68 | C66 | H661 | H662 | 117.5° | 120.0° |
| C66 | C68 | H682 | H681 | 116.3° | 120.0° |
| C66 | C64 | C63 | O65 | 13.2° | 120.0° |
| C66 | C64 | N67 | C60 | 90.9° | 155.1° |
| C66 | C64 | N67 | C63 | 126.3° | 120.0° |
| C66 | C64 | N67 | H641 | 118.1° | 120.0° |
| C66 | C64 | C63 | H641 | 116.9° | 120.0° |
| C66 | C64 | C63 | O62 | 167.5° | 60.0° |
| C64 | C66 | H661 | H662 | 117.5° | 120.0° |
| C64 | C66 | C68 | H682 | 18.5° | 60.0° |
| C64 | C66 | C68 | H681 | 136.1° | 60.0° |
| C66 | C64 | N67 | H671 | 89.0° | 25.0° |
| C51 | N53 | C56 | H531 | 180.0° | 180.0° |
| C51 | N53 | C56 | C58 | 173.4° | 155.0° |
| C51 | N53 | C56 | C55 | 64.6° | 85.0° |
| N53 | C51 | C50 | H501 | 106.4° | 59.9° |
| N53 | C51 | C50 | H502 | 11.9° | 60.0° |
| C51 | N53 | C56 | H561 | 53.1° | 35.0° |
| O52 | C51 | N53 | C56 | 0.5° | 0.0° |
| O52 | C51 | C50 | H501 | 73.5° | 120.0° |
| O52 | C51 | C50 | H502 | 168.1° | 120.0° |
| O52 | C51 | N53 | H531 | 179.5° | 180.0° |
| N53 | C56 | C58 | C55 | 122.2° | 120.0° |
| N53 | C56 | C58 | H561 | 120.8° | 120.0° |
| N53 | C56 | C58 | C59 | 169.9° | 65.0° |
| N53 | C56 | C55 | H561 | 118.6° | 120.0° |
| N53 | C56 | C55 | O57 | 46.5° | 0.0° |
| N53 | C56 | C55 | O54 | 133.5° | 180.0° |
| N53 | C56 | C58 | H582 | 49.6° | 55.0° |
| N53 | C56 | C58 | H581 | 69.7° | 174.9° |
| C56 | C58 | C59 | H582 | 120.4° | 120.0° |
| C56 | C58 | C59 | H581 | 120.3° | 120.0° |
| C58 | C56 | C55 | H561 | 117.1° | 120.0° |
| C56 | C58 | C59 | C60 | 177.2° | 180.0° |
| C58 | C56 | C55 | O57 | 77.8° | 120.0° |
| C58 | C56 | C55 | O54 | 102.2° | 60.0° |
| C56 | C58 | H582 | H581 | 119.0° | 120.0° |
| C56 | C58 | C59 | H591 | 62.3° | 60.0° |
| C56 | C58 | C59 | H592 | 56.6° | 60.0° |
| C58 | C56 | N53 | H531 | 6.6° | 25.0° |
| C58 | C59 | C60 | O61 | 25.3° | 0.0° |
| C59 | C58 | C56 | C55 | 67.9° | 175.0° |
| C58 | C59 | C60 | N67 | 154.8° | 180.0° |
| C58 | C59 | C60 | H591 | 120.5° | 120.0° |
| C58 | C59 | C60 | H592 | 120.5° | 120.0° |
| C59 | C58 | C56 | H561 | 49.1° | 55.0° |
| C59 | C58 | H582 | H581 | 119.0° | 120.0° |
| C58 | C59 | H591 | H592 | 118.3° | 120.0° |
| O65 | C63 | C64 | N67 | 113.8° | 0.0° |
| O65 | C63 | C64 | O62 | 179.2° | 180.0° |
| O65 | C63 | C64 | H641 | 130.1° | 120.0° |
| O65 | C63 | O62 | H7 | 0.0° | 0.0° |
| O61 | C60 | N67 | C59 | 179.9° | 180.0° |
| O61 | C60 | N67 | C64 | 0.1° | 0.0° |
| O61 | C60 | C59 | H591 | 95.3° | 120.0° |
| O61 | C60 | C59 | H592 | 145.8° | 120.0° |
| O61 | C60 | N67 | H671 | 179.9° | 180.0° |
| C56 | C55 | O57 | O54 | 180.0° | 180.0° |
| C55 | C56 | C58 | H582 | 171.8° | 65.0° |
| C55 | C56 | C58 | H581 | 52.5° | 55.0° |
| C55 | C56 | N53 | H531 | 115.3° | 95.0° |
| C56 | C55 | O54 | H6 | 180.0° | 179.9° |
| C60 | N67 | C64 | H671 | 180.0° | 180.0° |
| C60 | N67 | C64 | C63 | 35.4° | 85.0° |
| N67 | C60 | C59 | H591 | 84.6° | 60.0° |
| N67 | C60 | C59 | H592 | 34.3° | 60.1° |
| C60 | N67 | C64 | H641 | 151.0° | 35.1° |
| C59 | C60 | N67 | C64 | 180.0° | 180.0° |
| C60 | C59 | C58 | H582 | 56.8° | 60.0° |
| C60 | C59 | C58 | H581 | 62.5° | 60.0° |
| C60 | C59 | H591 | H592 | 118.3° | 120.0° |
| C59 | C60 | N67 | H671 | 0.0° | 0.0° |
| N67 | C64 | C63 | H641 | 116.2° | 120.0° |
| N67 | C64 | C63 | O62 | 65.5° | 180.0° |
| N67 | C64 | C66 | H661 | 129.6° | 55.0° |
| N67 | C64 | C66 | H662 | 11.3° | 175.0° |
| C63 | C64 | C66 | H661 | 5.1° | 65.0° |
| C63 | C64 | C66 | H662 | 113.2° | 55.1° |
| C63 | C64 | N67 | H671 | 144.6° | 95.0° |
| C64 | C63 | O62 | H7 | 179.2° | 180.0° |
| O62 | C63 | C64 | H641 | 50.7° | 60.0° |
| O57 | C55 | C56 | H561 | 165.0° | 120.0° |
| O57 | C55 | O54 | H6 | 0.0° | 0.1° |
| O54 | C55 | C56 | H561 | 15.0° | 60.0° |
| H011 | C01 | C02 | H021 | 0.3° | 0.0° |
| H182 | C18 | C19 | H191 | 72.4° | 180.0° |
| H181 | C18 | C19 | H191 | 169.4° | 60.0° |
| H191 | C19 | C20 | H201 | 60.9° | 180.0° |
| H191 | C19 | O23 | H231 | 64.0° | 179.9° |
| H201 | C20 | C21 | H211 | 162.6° | 180.0° |
| H201 | C20 | O24 | H241 | 59.6° | 180.0° |
| H211 | C21 | C22 | H221 | 65.8° | 65.0° |
| H211 | C21 | C22 | H222 | 54.6° | 175.0° |
| H211 | C21 | O25 | H251 | 13.4° | 180.0° |
| H303 | C30 | H301 | H302 | 120.0° | 120.1° |
| H303 | C30 | C42 | H421 | 58.1° | 180.0° |
| H301 | C30 | C42 | H421 | 61.8° | 60.0° |
| H302 | C30 | C42 | H421 | 178.2° | 60.0° |
| H341 | C34 | C36 | H362 | 65.7° | 174.9° |
| H341 | C34 | C36 | H361 | 53.4° | 65.0° |
| H341 | C34 | N31 | H311 | 157.2° | 145.0° |
| H362 | C36 | C38 | H382 | 177.0° | NaN° |
| H362 | C36 | C38 | H381 | 56.8° | 59.9° |
| H361 | C36 | C38 | H382 | 63.9° | 59.9° |
| H361 | C36 | C38 | H381 | 175.8° | 180.0° |
| H461 | C46 | C48 | H482 | 165.4° | 175.1° |
| H461 | C46 | C48 | H481 | 75.4° | 64.9° |
| H461 | C46 | N49 | H491 | 150.5° | 145.0° |
| H482 | C48 | C50 | H501 | 164.7° | 179.9° |
| H482 | C48 | C50 | H502 | 46.4° | 60.0° |
| H481 | C48 | C50 | H501 | 76.0° | 60.0° |
| H481 | C48 | C50 | H502 | 165.6° | 179.9° |
| H561 | C56 | C58 | H582 | 71.2° | 175.0° |
| H561 | C56 | C58 | H581 | 169.5° | 65.0° |
| H561 | C56 | N53 | H531 | 126.9° | 145.0° |
| H582 | C58 | C59 | H591 | 177.4° | 180.0° |
| H582 | C58 | C59 | H592 | 63.7° | 60.0° |
| H581 | C58 | C59 | H591 | 58.1° | 60.0° |
| H581 | C58 | C59 | H592 | 177.0° | 180.0° |
| H641 | C64 | C66 | H661 | 111.7° | 175.0° |
| H641 | C64 | C66 | H662 | 129.9° | 64.9° |
| H641 | C64 | N67 | H671 | 29.0° | 145.0° |
| H661 | C66 | C68 | H682 | 102.4° | 180.0° |
| H661 | C66 | C68 | H681 | 15.3° | 60.0° |
| H662 | C66 | C68 | H682 | 139.3° | 60.0° |
| H662 | C66 | C68 | H681 | 103.1° | 180.0° |
