A1EO5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | N02 | doub | 1.32Å | 1.44Å | Aromatic |
| C01 | C43 | sing | 1.40Å | 1.49Å | Aromatic |
| C42 | C43 | sing | 1.46Å | 1.52Å | |
| C42 | C41 | doub | 1.36Å | 1.47Å | |
| N02 | C03 | sing | 1.33Å | 1.48Å | Aromatic |
| C43 | C16 | doub | 1.41Å | 1.47Å | Aromatic |
| C41 | C39 | sing | 1.41Å | 1.51Å | |
| C03 | N04 | sing | 1.38Å | 1.42Å | |
| C03 | N15 | doub | 1.32Å | 1.46Å | Aromatic |
| C16 | N15 | sing | 1.33Å | 1.45Å | Aromatic |
| C16 | N17 | sing | 1.37Å | 1.50Å | |
| C39 | N17 | sing | 1.35Å | 1.49Å | |
| C39 | O40 | doub | 1.22Å | 1.17Å | |
| N04 | C05 | sing | 1.47Å | 1.52Å | |
| N17 | C18 | sing | 1.46Å | 1.58Å | |
| C05 | C14 | sing | 1.53Å | 1.45Å | |
| C05 | C06 | sing | 1.53Å | 1.45Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C38 | C18 | sing | 1.53Å | 1.50Å | |
| C38 | C37 | sing | 1.53Å | 1.46Å | |
| C18 | C19 | sing | 1.53Å | 1.41Å | |
| C06 | C07 | sing | 1.53Å | 1.52Å | |
| C13 | N08 | sing | 1.47Å | 1.54Å | |
| C19 | C20 | sing | 1.53Å | 1.57Å | |
| C37 | N21 | sing | 1.47Å | 1.44Å | |
| N08 | C07 | sing | 1.47Å | 1.54Å | |
| N08 | S09 | sing | 1.66Å | 1.68Å | |
| O11 | S09 | doub | 1.42Å | 1.47Å | |
| S09 | O12 | doub | 1.42Å | 1.46Å | |
| S09 | C10 | sing | 1.81Å | 1.81Å | |
| C20 | N21 | sing | 1.47Å | 1.51Å | |
| N21 | C22 | sing | 1.47Å | 1.20Å | |
| C22 | C23 | sing | 1.51Å | 1.53Å | |
| C23 | N24 | sing | 1.34Å | 1.32Å | Aromatic |
| C23 | C36 | doub | 1.35Å | 1.39Å | Aromatic |
| N24 | N25 | doub | 1.29Å | 1.36Å | Aromatic |
| C36 | N26 | sing | 1.35Å | 1.32Å | Aromatic |
| N25 | N26 | sing | 1.29Å | 1.36Å | Aromatic |
| N26 | C27 | sing | 1.46Å | 1.45Å | |
| C34 | C35 | doub | 1.38Å | 1.52Å | Aromatic |
| C34 | C33 | sing | 1.38Å | 1.52Å | Aromatic |
| C35 | C30 | sing | 1.38Å | 1.52Å | Aromatic |
| C33 | C32 | doub | 1.38Å | 1.53Å | Aromatic |
| C30 | C27 | sing | 1.51Å | 1.53Å | |
| C30 | C31 | doub | 1.38Å | 1.52Å | Aromatic |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| C28 | O29 | sing | 1.43Å | 1.40Å | |
| C32 | C31 | sing | 1.38Å | 1.52Å | Aromatic |
| C10 | H103 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C06 | H061 | sing | 1.09Å | 1.10Å | |
| C06 | H062 | sing | 1.09Å | 1.10Å | |
| C07 | H072 | sing | 1.09Å | 1.10Å | |
| C07 | H071 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.08Å | 1.08Å | |
| C32 | H321 | sing | 1.08Å | 1.08Å | |
| C33 | H331 | sing | 1.08Å | 1.08Å | |
| C34 | H341 | sing | 1.08Å | 1.08Å | |
| C35 | H351 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.08Å | 1.08Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.08Å | 1.08Å | |
| C42 | H421 | sing | 1.08Å | 1.08Å | |
| N04 | H041 | sing | 0.97Å | 1.00Å | |
| O29 | H291 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N02 | C01 | C43 | 118.1° | 118.5° |
| C01 | N02 | C03 | 121.0° | 121.2° |
| N02 | C01 | H011 | 121.0° | 120.8° |
| C01 | C43 | C42 | 119.9° | 122.1° |
| C01 | C43 | C16 | 119.5° | 118.8° |
| C43 | C01 | H011 | 120.9° | 120.7° |
| C43 | C42 | C41 | 118.7° | 118.3° |
| C42 | C43 | C16 | 120.6° | 119.2° |
| C43 | C42 | H421 | 120.7° | 120.8° |
| C42 | C41 | C39 | 120.4° | 120.2° |
| C42 | C41 | H411 | 119.8° | 119.9° |
| C41 | C42 | H421 | 120.6° | 120.8° |
| N02 | C03 | N04 | 115.3° | 118.7° |
| N02 | C03 | N15 | 121.5° | 122.5° |
| C43 | C16 | N15 | 122.7° | 118.7° |
| C43 | C16 | N17 | 121.2° | 119.6° |
| C41 | C39 | N17 | 120.9° | 121.8° |
| C41 | C39 | O40 | 118.6° | 119.1° |
| C39 | C41 | H411 | 119.8° | 119.9° |
| N04 | C03 | N15 | 123.2° | 118.8° |
| C03 | N04 | C05 | 130.3° | 120.0° |
| C03 | N04 | H041 | 104.0° | 120.0° |
| C03 | N15 | C16 | 117.2° | 120.4° |
| N15 | C16 | N17 | 116.1° | 121.7° |
| C16 | N17 | C39 | 118.2° | 121.0° |
| C16 | N17 | C18 | 116.5° | 119.5° |
| N17 | C39 | O40 | 120.4° | 119.1° |
| C39 | N17 | C18 | 125.3° | 119.5° |
| N04 | C05 | C14 | 114.8° | 109.5° |
| N04 | C05 | C06 | 105.2° | 109.4° |
| N04 | C05 | H051 | 105.9° | 109.4° |
| C05 | N04 | H041 | 104.0° | 120.0° |
| N17 | C18 | C38 | 100.3° | 109.6° |
| N17 | C18 | C19 | 121.5° | 109.5° |
| N17 | C18 | H181 | 106.2° | 109.5° |
| C14 | C05 | C06 | 116.6° | 109.5° |
| C05 | C14 | C13 | 105.7° | 109.3° |
| C14 | C05 | H051 | 106.8° | 109.5° |
| C05 | C14 | H141 | 110.4° | 109.5° |
| C05 | C14 | H142 | 110.4° | 109.5° |
| C05 | C06 | C07 | 111.7° | 109.3° |
| C06 | C05 | H051 | 106.8° | 109.5° |
| C05 | C06 | H061 | 108.9° | 109.5° |
| C05 | C06 | H062 | 108.9° | 109.5° |
| C14 | C13 | N08 | 117.0° | 108.7° |
| C14 | C13 | H132 | 107.5° | 109.6° |
| C14 | C13 | H131 | 107.5° | 109.7° |
| C13 | C14 | H141 | 110.4° | 109.5° |
| C13 | C14 | H142 | 110.4° | 109.5° |
| C18 | C38 | C37 | 116.2° | 109.3° |
| C38 | C18 | C19 | 112.3° | 109.1° |
| C38 | C18 | H181 | 107.2° | 109.5° |
| C18 | C38 | H381 | 107.8° | 109.5° |
| C18 | C38 | H382 | 107.8° | 109.6° |
| C38 | C37 | N21 | 113.6° | 109.5° |
| C38 | C37 | H372 | 108.4° | 109.5° |
| C38 | C37 | H371 | 108.4° | 109.5° |
| C37 | C38 | H381 | 107.8° | 109.5° |
| C37 | C38 | H382 | 107.8° | 109.5° |
| C18 | C19 | C20 | 104.9° | 109.3° |
| C19 | C18 | H181 | 108.3° | 109.5° |
| C18 | C19 | H191 | 110.6° | 109.5° |
| C18 | C19 | H192 | 110.6° | 109.5° |
| C06 | C07 | N08 | 110.6° | 108.8° |
| C07 | C06 | H061 | 108.9° | 109.5° |
| C07 | C06 | H062 | 108.9° | 109.5° |
| C06 | C07 | H072 | 109.2° | 109.5° |
| C06 | C07 | H071 | 109.2° | 109.6° |
| C13 | N08 | C07 | 112.3° | 118.8° |
| C13 | N08 | S09 | 118.3° | 120.6° |
| N08 | C13 | H132 | 107.6° | 109.6° |
| N08 | C13 | H131 | 107.6° | 109.6° |
| C19 | C20 | N21 | 115.5° | 109.5° |
| C19 | C20 | H201 | 108.0° | 109.4° |
| C19 | C20 | H202 | 107.9° | 109.4° |
| C20 | C19 | H191 | 110.6° | 109.5° |
| C20 | C19 | H192 | 110.6° | 109.5° |
| C37 | N21 | C20 | 110.6° | 111.2° |
| C37 | N21 | C22 | 110.6° | 111.0° |
| N21 | C37 | H372 | 108.4° | 109.4° |
| N21 | C37 | H371 | 108.4° | 109.4° |
| C07 | N08 | S09 | 116.1° | 120.6° |
| N08 | C07 | H072 | 109.2° | 109.6° |
| N08 | C07 | H071 | 109.2° | 109.8° |
| N08 | S09 | O11 | 108.4° | 104.3° |
| N08 | S09 | O12 | 107.8° | 104.3° |
| N08 | S09 | C10 | 110.9° | 104.4° |
| O11 | S09 | O12 | 107.3° | 121.1° |
| O11 | S09 | C10 | 110.3° | 110.5° |
| O12 | S09 | C10 | 112.0° | 110.5° |
| S09 | C10 | H103 | 109.5° | 109.5° |
| S09 | C10 | H102 | 109.5° | 109.4° |
| S09 | C10 | H101 | 109.4° | 109.5° |
| C20 | N21 | C22 | 111.4° | 111.0° |
| N21 | C20 | H201 | 107.9° | 109.5° |
| N21 | C20 | H202 | 108.0° | 109.5° |
| N21 | C22 | C23 | 109.6° | 109.5° |
| N21 | C22 | H222 | 109.4° | 109.5° |
| N21 | C22 | H221 | 109.5° | 109.4° |
| C22 | C23 | N24 | 124.3° | 126.7° |
| C22 | C23 | C36 | 127.7° | 126.8° |
| C23 | C22 | H222 | 109.4° | 109.5° |
| C23 | C22 | H221 | 109.4° | 109.4° |
| N24 | C23 | C36 | 107.9° | 106.5° |
| C23 | N24 | N25 | 108.2° | 108.9° |
| C23 | C36 | N26 | 107.8° | 106.2° |
| C23 | C36 | H361 | 126.1° | 126.9° |
| N24 | N25 | N26 | 107.9° | 110.2° |
| C36 | N26 | N25 | 108.1° | 108.2° |
| C36 | N26 | C27 | 126.4° | 125.9° |
| N26 | C36 | H361 | 126.1° | 126.9° |
| N25 | N26 | C27 | 125.5° | 125.9° |
| N26 | C27 | C30 | 108.7° | 109.5° |
| N26 | C27 | C28 | 110.1° | 109.4° |
| N26 | C27 | H271 | 110.1° | 109.5° |
| C35 | C34 | C33 | 119.6° | 120.0° |
| C34 | C35 | C30 | 120.5° | 120.0° |
| C35 | C34 | H341 | 120.2° | 120.0° |
| C34 | C35 | H351 | 119.7° | 120.0° |
| C34 | C33 | C32 | 120.1° | 120.0° |
| C34 | C33 | H331 | 119.9° | 120.0° |
| C33 | C34 | H341 | 120.2° | 120.1° |
| C35 | C30 | C27 | 120.1° | 120.0° |
| C35 | C30 | C31 | 120.1° | 120.0° |
| C30 | C35 | H351 | 119.8° | 120.0° |
| C33 | C32 | C31 | 120.3° | 120.0° |
| C33 | C32 | H321 | 119.9° | 120.0° |
| C32 | C33 | H331 | 120.0° | 120.0° |
| C27 | C30 | C31 | 119.8° | 120.0° |
| C30 | C27 | C28 | 110.0° | 109.5° |
| C30 | C27 | H271 | 109.0° | 109.5° |
| C30 | C31 | C32 | 119.5° | 120.0° |
| C30 | C31 | H311 | 120.3° | 120.1° |
| C27 | C28 | O29 | 109.9° | 109.5° |
| C27 | C28 | H281 | 109.4° | 109.5° |
| C27 | C28 | H282 | 109.4° | 109.5° |
| C28 | C27 | H271 | 109.0° | 109.5° |
| O29 | C28 | H281 | 109.4° | 109.5° |
| O29 | C28 | H282 | 109.4° | 109.5° |
| C28 | O29 | H291 | 109.5° | 114.0° |
| C32 | C31 | H311 | 120.3° | 120.0° |
| C31 | C32 | H321 | 119.9° | 120.0° |
| H103 | C10 | H102 | 109.4° | 109.5° |
| H103 | C10 | H101 | 109.5° | 109.5° |
| H102 | C10 | H101 | 109.5° | 109.5° |
| H132 | C13 | H131 | 109.5° | 109.6° |
| H201 | C20 | H202 | 109.4° | 109.5° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.4° | 109.5° |
| H061 | C06 | H062 | 109.5° | 109.6° |
| H072 | C07 | H071 | 109.5° | 109.6° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H372 | C37 | H371 | 109.5° | 109.5° |
| H381 | C38 | H382 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N02 | C01 | C43 | H011 | 180.0° | 179.8° |
| N02 | C01 | C43 | C42 | 179.9° | 180.0° |
| N02 | C01 | C43 | C16 | 0.3° | 0.0° |
| C01 | N02 | C03 | N04 | 177.2° | 180.0° |
| C01 | N02 | C03 | N15 | 0.6° | 0.0° |
| C01 | C43 | C42 | C16 | 179.6° | 180.0° |
| C01 | C43 | C42 | C41 | 179.3° | 179.9° |
| C43 | C01 | N02 | C03 | 0.9° | 0.0° |
| C01 | C43 | C16 | N15 | 2.0° | 0.0° |
| C01 | C43 | C16 | N17 | 180.0° | 180.0° |
| C01 | C43 | C42 | H421 | 0.7° | 0.0° |
| C43 | C42 | C41 | H421 | 180.0° | 179.9° |
| C43 | C42 | C41 | C39 | 0.7° | 0.1° |
| C42 | C43 | C16 | N15 | 178.5° | 180.0° |
| C42 | C43 | C16 | N17 | 0.4° | 0.0° |
| C42 | C43 | C01 | H011 | 0.1° | 0.2° |
| C43 | C42 | C41 | H411 | 179.3° | 180.0° |
| C41 | C42 | C43 | C16 | 0.3° | 0.1° |
| C42 | C41 | C39 | H411 | 180.0° | 179.8° |
| C42 | C41 | C39 | N17 | 0.3° | 0.1° |
| C42 | C41 | C39 | O40 | 179.9° | 179.9° |
| N02 | C03 | N04 | N15 | 177.8° | 180.0° |
| N02 | C03 | N15 | C16 | 1.0° | 0.1° |
| N02 | C03 | N04 | C05 | 162.2° | 0.0° |
| C03 | N02 | C01 | H011 | 179.1° | 179.8° |
| N02 | C03 | N04 | H041 | 75.1° | 180.0° |
| C43 | C16 | N15 | C03 | 2.2° | 0.1° |
| C43 | C16 | N15 | N17 | 178.2° | 180.0° |
| C43 | C16 | N17 | C39 | 0.7° | 0.0° |
| C43 | C16 | N17 | C18 | 178.9° | 180.0° |
| C16 | C43 | C01 | H011 | 179.7° | 179.8° |
| C16 | C43 | C42 | H421 | 179.7° | 180.0° |
| C41 | C39 | N17 | C16 | 0.4° | 0.1° |
| C41 | C39 | N17 | O40 | 179.7° | 180.0° |
| C41 | C39 | N17 | C18 | 178.4° | 179.9° |
| C39 | C41 | C42 | H421 | 179.4° | 179.9° |
| N04 | C03 | N15 | C16 | 178.6° | 180.0° |
| C03 | N04 | C05 | H041 | 122.7° | 180.0° |
| C03 | N04 | C05 | C14 | 16.2° | 155.0° |
| C03 | N04 | C05 | C06 | 113.4° | 85.0° |
| C03 | N04 | C05 | H051 | 133.7° | 35.0° |
| C03 | N15 | C16 | N17 | 179.6° | 180.0° |
| N15 | C03 | N04 | C05 | 20.0° | 180.0° |
| N15 | C03 | N04 | H041 | 102.6° | 0.0° |
| N15 | C16 | N17 | C39 | 178.9° | 180.0° |
| N15 | C16 | N17 | C18 | 2.9° | 0.0° |
| C16 | N17 | C39 | C18 | 178.0° | 179.9° |
| C16 | N17 | C39 | O40 | 179.4° | 180.0° |
| C16 | N17 | C18 | C38 | 128.8° | 120.3° |
| C16 | N17 | C18 | C19 | 106.9° | 120.0° |
| C16 | N17 | C18 | H181 | 17.4° | 0.1° |
| C39 | N17 | C18 | C38 | 49.2° | 59.6° |
| C39 | N17 | C18 | C19 | 75.1° | 60.0° |
| C39 | N17 | C18 | H181 | 160.6° | 179.8° |
| N17 | C39 | C41 | H411 | 179.7° | 180.0° |
| O40 | C39 | N17 | C18 | 1.4° | 0.1° |
| O40 | C39 | C41 | H411 | 0.1° | 0.1° |
| N04 | C05 | C14 | C06 | 123.7° | 120.0° |
| N04 | C05 | C14 | H051 | 117.1° | 120.0° |
| N04 | C05 | C06 | H051 | 112.3° | 119.9° |
| N04 | C05 | C14 | C13 | 176.5° | 178.6° |
| N04 | C05 | C06 | C07 | 169.8° | 178.6° |
| N04 | C05 | C06 | H061 | 69.9° | 61.4° |
| N04 | C05 | C06 | H062 | 49.4° | 58.7° |
| N04 | C05 | C14 | H141 | 57.1° | 61.4° |
| N04 | C05 | C14 | H142 | 64.1° | 58.7° |
| N17 | C18 | C38 | C19 | 130.5° | 119.9° |
| N17 | C18 | C38 | H181 | 110.7° | 120.2° |
| N17 | C18 | C38 | C37 | 173.2° | 177.6° |
| N17 | C18 | C19 | H181 | 123.3° | 120.2° |
| N17 | C18 | C19 | C20 | 175.6° | 177.6° |
| N17 | C18 | C19 | H191 | 56.3° | 62.4° |
| N17 | C18 | C19 | H192 | 65.1° | 57.6° |
| N17 | C18 | C38 | H381 | 52.2° | 62.5° |
| N17 | C18 | C38 | H382 | 65.9° | 57.6° |
| C14 | C05 | C06 | H051 | 119.2° | 120.0° |
| C05 | C14 | C13 | H141 | 119.4° | 120.0° |
| C05 | C14 | C13 | H142 | 119.4° | 119.9° |
| C14 | C05 | C06 | C07 | 61.7° | 61.4° |
| C05 | C14 | C13 | N08 | 4.5° | 54.6° |
| C05 | C14 | C13 | H132 | 116.6° | 65.1° |
| C05 | C14 | C13 | H131 | 125.5° | 174.5° |
| C14 | C05 | C06 | H061 | 58.6° | 58.6° |
| C14 | C05 | C06 | H062 | 178.0° | 178.7° |
| C05 | C14 | H141 | H142 | 121.8° | 120.1° |
| C14 | C05 | N04 | H041 | 138.8° | 25.0° |
| C06 | C05 | C14 | C13 | 59.8° | 61.4° |
| C05 | C06 | C07 | H061 | 120.3° | 119.9° |
| C05 | C06 | C07 | H062 | 120.4° | 119.9° |
| C05 | C06 | C07 | N08 | 4.3° | 54.6° |
| C05 | C06 | H061 | H062 | 119.0° | 120.1° |
| C05 | C06 | C07 | H072 | 124.5° | 174.5° |
| C05 | C06 | C07 | H071 | 115.9° | 65.3° |
| C06 | C05 | C14 | H141 | 179.2° | 58.6° |
| C06 | C05 | C14 | H142 | 59.6° | 178.7° |
| C06 | C05 | N04 | H041 | 9.3° | 95.0° |
| C14 | C13 | N08 | H132 | 121.1° | 119.8° |
| C14 | C13 | N08 | H131 | 121.1° | 119.9° |
| C14 | C13 | N08 | C07 | 45.1° | 53.6° |
| C14 | C13 | N08 | S09 | 175.5° | 126.4° |
| C14 | C13 | H132 | H131 | 116.5° | 120.4° |
| C13 | C14 | C05 | H051 | 59.4° | 58.6° |
| C13 | C14 | H141 | H142 | 121.7° | 120.1° |
| C18 | C38 | C37 | H381 | 121.0° | 119.9° |
| C18 | C38 | C37 | H382 | 121.0° | 120.0° |
| C38 | C18 | C19 | H181 | 118.2° | 119.9° |
| C38 | C18 | C19 | C20 | 57.1° | 57.7° |
| C18 | C38 | C37 | N21 | 46.7° | 59.2° |
| C38 | C18 | C19 | H191 | 62.2° | 177.6° |
| C38 | C18 | C19 | H192 | 176.3° | 62.3° |
| C18 | C38 | C37 | H372 | 73.9° | 60.8° |
| C18 | C38 | C37 | H371 | 167.3° | 179.2° |
| C18 | C38 | H381 | H382 | 116.9° | 120.2° |
| C37 | C38 | C18 | C19 | 56.4° | 57.7° |
| C38 | C37 | N21 | H372 | 120.6° | 120.0° |
| C38 | C37 | N21 | H371 | 120.6° | 120.0° |
| C38 | C37 | N21 | C20 | 43.3° | 61.7° |
| C38 | C37 | N21 | C22 | 167.2° | 174.2° |
| C37 | C38 | C18 | H181 | 62.5° | 62.2° |
| C38 | C37 | H372 | H371 | 118.1° | 120.0° |
| C37 | C38 | H381 | H382 | 117.0° | 120.0° |
| C18 | C19 | C20 | H191 | 119.3° | 120.0° |
| C18 | C19 | C20 | H192 | 119.3° | 119.9° |
| C18 | C19 | C20 | N21 | 58.1° | 59.2° |
| C18 | C19 | C20 | H201 | 179.0° | 179.2° |
| C18 | C19 | C20 | H202 | 62.8° | 60.8° |
| C18 | C19 | H191 | H192 | 122.1° | 120.0° |
| C19 | C18 | C38 | H381 | 177.4° | 177.6° |
| C19 | C18 | C38 | H382 | 64.6° | 62.3° |
| C06 | C07 | N08 | C13 | 43.5° | 53.6° |
| C06 | C07 | N08 | H072 | 120.2° | 119.8° |
| C06 | C07 | N08 | H071 | 120.2° | 119.8° |
| C06 | C07 | N08 | S09 | 176.1° | 126.4° |
| C07 | C06 | C05 | H051 | 57.5° | 58.7° |
| C07 | C06 | H061 | H062 | 119.0° | 120.1° |
| C06 | C07 | H072 | H071 | 119.5° | 120.2° |
| C13 | N08 | C07 | S09 | 140.4° | 179.9° |
| C13 | N08 | S09 | O11 | 61.9° | 26.0° |
| C13 | N08 | S09 | O12 | 177.7° | 153.9° |
| C13 | N08 | S09 | C10 | 59.4° | 90.0° |
| N08 | C13 | H132 | H131 | 116.6° | 120.3° |
| C13 | N08 | C07 | H072 | 76.7° | 173.4° |
| C13 | N08 | C07 | H071 | 163.7° | 66.2° |
| N08 | C13 | C14 | H141 | 123.9° | 65.3° |
| N08 | C13 | C14 | H142 | 115.0° | 174.6° |
| C19 | C20 | N21 | C37 | 51.2° | 61.7° |
| C19 | C20 | N21 | H201 | 120.9° | 120.0° |
| C19 | C20 | N21 | H202 | 120.9° | 120.0° |
| C19 | C20 | N21 | C22 | 174.7° | 174.2° |
| C19 | C20 | H201 | H202 | 117.3° | 120.0° |
| C20 | C19 | C18 | H181 | 61.1° | 62.2° |
| C20 | C19 | H191 | H192 | 122.1° | 120.1° |
| C37 | N21 | C20 | C22 | 123.5° | 124.1° |
| C37 | N21 | C22 | C23 | 170.9° | 65.8° |
| C37 | N21 | C20 | H201 | 172.0° | 178.3° |
| C37 | N21 | C20 | H202 | 69.8° | 58.3° |
| C37 | N21 | C22 | H222 | 69.1° | 54.2° |
| C37 | N21 | C22 | H221 | 50.9° | 174.3° |
| N21 | C37 | H372 | H371 | 118.1° | 119.9° |
| N21 | C37 | C38 | H381 | 167.6° | 179.1° |
| N21 | C37 | C38 | H382 | 74.3° | 60.8° |
| C07 | N08 | S09 | O11 | 160.2° | 153.9° |
| C07 | N08 | S09 | O12 | 44.4° | 26.0° |
| C07 | N08 | S09 | C10 | 78.6° | 90.0° |
| C07 | N08 | C13 | H132 | 166.2° | 66.2° |
| C07 | N08 | C13 | H131 | 76.0° | 173.6° |
| N08 | C07 | C06 | H061 | 116.0° | 65.3° |
| N08 | C07 | C06 | H062 | 124.7° | 174.5° |
| N08 | C07 | H072 | H071 | 119.4° | 120.5° |
| N08 | S09 | O11 | O12 | 116.1° | 116.8° |
| N08 | S09 | O11 | C10 | 121.6° | 111.7° |
| N08 | S09 | O12 | C10 | 122.3° | 111.7° |
| N08 | S09 | C10 | H103 | 180.0° | 60.0° |
| N08 | S09 | C10 | H102 | 60.0° | 180.0° |
| N08 | S09 | C10 | H101 | 60.0° | 60.0° |
| S09 | N08 | C13 | H132 | 54.4° | 113.7° |
| S09 | N08 | C13 | H131 | 63.5° | 6.5° |
| S09 | N08 | C07 | H072 | 63.7° | 6.7° |
| S09 | N08 | C07 | H071 | 55.9° | 113.7° |
| O11 | S09 | O12 | C10 | 121.2° | 131.5° |
| O11 | S09 | C10 | H103 | 59.9° | 171.6° |
| O11 | S09 | C10 | H102 | 60.1° | 68.4° |
| O11 | S09 | C10 | H101 | 179.9° | 51.6° |
| O12 | S09 | C10 | H103 | 59.5° | 51.6° |
| O12 | S09 | C10 | H102 | 179.5° | 68.4° |
| O12 | S09 | C10 | H101 | 60.5° | 171.6° |
| S09 | C10 | H103 | H102 | 120.0° | 120.0° |
| S09 | C10 | H103 | H101 | 120.0° | 120.0° |
| S09 | C10 | H102 | H101 | 120.0° | 120.0° |
| C20 | N21 | C22 | C23 | 65.6° | 170.0° |
| N21 | C20 | H201 | H202 | 117.2° | 120.0° |
| C20 | N21 | C22 | H222 | 54.4° | 70.0° |
| C20 | N21 | C22 | H221 | 174.4° | 50.1° |
| N21 | C20 | C19 | H191 | 61.2° | 179.2° |
| N21 | C20 | C19 | H192 | 177.4° | 60.7° |
| C20 | N21 | C37 | H372 | 77.3° | 58.3° |
| C20 | N21 | C37 | H371 | 163.9° | 178.3° |
| N21 | C22 | C23 | H222 | 120.0° | 120.1° |
| N21 | C22 | C23 | H221 | 120.0° | 119.9° |
| N21 | C22 | C23 | N24 | 39.6° | 85.0° |
| N21 | C22 | C23 | C36 | 136.4° | 95.2° |
| C22 | N21 | C20 | H201 | 64.4° | 54.2° |
| C22 | N21 | C20 | H202 | 53.8° | 65.8° |
| N21 | C22 | H222 | H221 | 120.0° | 120.0° |
| C22 | N21 | C37 | H372 | 46.6° | 65.8° |
| C22 | N21 | C37 | H371 | 72.2° | 54.2° |
| C22 | C23 | N24 | C36 | 176.7° | 179.8° |
| C22 | C23 | N24 | N25 | 178.4° | 180.0° |
| C22 | C23 | C36 | N26 | 178.6° | 180.0° |
| C23 | C22 | H222 | H221 | 119.9° | 119.9° |
| C22 | C23 | C36 | H361 | 1.5° | 0.0° |
| N24 | C23 | C36 | N26 | 2.0° | 0.2° |
| C23 | N24 | N25 | N26 | 0.8° | 0.1° |
| N24 | C23 | C22 | H222 | 159.6° | 35.1° |
| N24 | C23 | C22 | H221 | 80.4° | 155.1° |
| N24 | C23 | C36 | H361 | 178.0° | 179.8° |
| C36 | C23 | N24 | N25 | 1.7° | 0.2° |
| C23 | C36 | N26 | H361 | 180.0° | 180.0° |
| C23 | C36 | N26 | N25 | 1.5° | 0.1° |
| C23 | C36 | N26 | C27 | 179.4° | 180.0° |
| C36 | C23 | C22 | H222 | 16.4° | 144.7° |
| C36 | C23 | C22 | H221 | 103.5° | 24.7° |
| N24 | N25 | N26 | C36 | 0.4° | 0.0° |
| N24 | N25 | N26 | C27 | 179.6° | 179.9° |
| C36 | N26 | N25 | C27 | 179.2° | 179.9° |
| C36 | N26 | C27 | C30 | 95.0° | 85.0° |
| C36 | N26 | C27 | C28 | 25.6° | 35.0° |
| C36 | N26 | C27 | H271 | 145.7° | 155.0° |
| N25 | N26 | C27 | C30 | 84.1° | 95.2° |
| N25 | N26 | C27 | C28 | 155.4° | 144.8° |
| N25 | N26 | C27 | H271 | 35.3° | 24.9° |
| N25 | N26 | C36 | H361 | 178.6° | 179.9° |
| N26 | C27 | C30 | C35 | 69.0° | 59.7° |
| N26 | C27 | C30 | C28 | 120.6° | 120.0° |
| N26 | C27 | C30 | H271 | 120.0° | 120.0° |
| N26 | C27 | C30 | C31 | 110.2° | 120.0° |
| N26 | C27 | C28 | H271 | 120.8° | 120.0° |
| N26 | C27 | C28 | O29 | 160.0° | 65.0° |
| N26 | C27 | C28 | H281 | 80.0° | 175.0° |
| N26 | C27 | C28 | H282 | 39.9° | 55.0° |
| C27 | N26 | C36 | H361 | 0.6° | 0.0° |
| C35 | C34 | C33 | H341 | 180.0° | 179.5° |
| C34 | C35 | C30 | H351 | 180.0° | 179.4° |
| C35 | C34 | C33 | C32 | 0.2° | 0.3° |
| C34 | C35 | C30 | C27 | 179.8° | 179.7° |
| C34 | C35 | C30 | C31 | 0.5° | 0.6° |
| C35 | C34 | C33 | H331 | 179.8° | 179.7° |
| C33 | C34 | C35 | C30 | 0.2° | 0.6° |
| C34 | C33 | C32 | H331 | 180.0° | 180.0° |
| C34 | C33 | C32 | C31 | 0.3° | 0.1° |
| C34 | C33 | C32 | H321 | 179.7° | 180.0° |
| C33 | C34 | C35 | H351 | 179.8° | 180.0° |
| C35 | C30 | C27 | C31 | 179.3° | 179.7° |
| C35 | C30 | C27 | C28 | 51.6° | 60.3° |
| C35 | C30 | C31 | C32 | 0.5° | 0.3° |
| C35 | C30 | C27 | H271 | 171.0° | 179.7° |
| C35 | C30 | C31 | H311 | 179.5° | 179.7° |
| C30 | C35 | C34 | H341 | 179.8° | 179.9° |
| C33 | C32 | C31 | C30 | 0.1° | 0.0° |
| C33 | C32 | C31 | H321 | 180.0° | 179.9° |
| C33 | C32 | C31 | H311 | 179.9° | 180.0° |
| C32 | C33 | C34 | H341 | 179.8° | 179.7° |
| C30 | C27 | C28 | H271 | 119.4° | 120.0° |
| C30 | C27 | C28 | O29 | 80.3° | 175.0° |
| C27 | C30 | C31 | C32 | 179.7° | 180.0° |
| C30 | C27 | C28 | H281 | 39.8° | 55.0° |
| C30 | C27 | C28 | H282 | 159.6° | 65.0° |
| C27 | C30 | C31 | H311 | 0.3° | 0.0° |
| C27 | C30 | C35 | H351 | 0.2° | 0.4° |
| C31 | C30 | C27 | C28 | 129.2° | 120.0° |
| C30 | C31 | C32 | H311 | 180.0° | 180.0° |
| C31 | C30 | C27 | H271 | 9.8° | 0.0° |
| C30 | C31 | C32 | H321 | 180.0° | 179.9° |
| C31 | C30 | C35 | H351 | 179.5° | 180.0° |
| C27 | C28 | O29 | H281 | 120.1° | 120.0° |
| C27 | C28 | O29 | H282 | 120.1° | 120.0° |
| C27 | C28 | H281 | H282 | 119.8° | 120.0° |
| C27 | C28 | O29 | H291 | 180.0° | 179.9° |
| O29 | C28 | H281 | H282 | 119.8° | 120.0° |
| O29 | C28 | C27 | H271 | 39.1° | 55.0° |
| C31 | C32 | C33 | H331 | 179.7° | 179.9° |
| H103 | C10 | H102 | H101 | 120.0° | 120.0° |
| H132 | C13 | C14 | H141 | 2.8° | 174.9° |
| H132 | C13 | C14 | H142 | 123.9° | 54.8° |
| H131 | C13 | C14 | H141 | 115.1° | 54.5° |
| H131 | C13 | C14 | H142 | 6.1° | 65.5° |
| H201 | C20 | C19 | H191 | 59.7° | 60.8° |
| H201 | C20 | C19 | H192 | 61.8° | 59.3° |
| H202 | C20 | C19 | H191 | 177.9° | 59.1° |
| H202 | C20 | C19 | H192 | 56.5° | 179.2° |
| H281 | C28 | C27 | H271 | 159.2° | 65.0° |
| H281 | C28 | O29 | H291 | 59.9° | 59.9° |
| H282 | C28 | C27 | H271 | 81.0° | 175.0° |
| H282 | C28 | O29 | H291 | 59.9° | 60.1° |
| H051 | C05 | C06 | H061 | 177.8° | 178.6° |
| H051 | C05 | C06 | H062 | 62.8° | 61.2° |
| H051 | C05 | C14 | H141 | 60.0° | 178.6° |
| H051 | C05 | C14 | H142 | 178.8° | 61.3° |
| H051 | C05 | N04 | H041 | 103.6° | 145.0° |
| H061 | C06 | C07 | H072 | 4.2° | 54.5° |
| H061 | C06 | C07 | H071 | 123.8° | 174.7° |
| H062 | C06 | C07 | H072 | 115.1° | 65.6° |
| H062 | C06 | C07 | H071 | 4.5° | 54.6° |
| H181 | C18 | C19 | H191 | 179.6° | 57.8° |
| H181 | C18 | C19 | H192 | 58.2° | 177.8° |
| H181 | C18 | C38 | H381 | 58.5° | 57.7° |
| H181 | C18 | C38 | H382 | 176.6° | 177.8° |
| H311 | C31 | C32 | H321 | 0.1° | 0.1° |
| H321 | C32 | C33 | H331 | 0.3° | 0.0° |
| H331 | C33 | C34 | H341 | 0.2° | 0.3° |
| H341 | C34 | C35 | H351 | 0.2° | 0.6° |
| H372 | C37 | C38 | H381 | 47.0° | 59.1° |
| H372 | C37 | C38 | H382 | 165.1° | 179.2° |
| H371 | C37 | C38 | H381 | 71.8° | 60.9° |
| H371 | C37 | C38 | H382 | 46.3° | 59.1° |
| H411 | C41 | C42 | H421 | 0.7° | 0.1° |
