D9U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C08 | C09 | sing | 1.53Å | 1.53Å | |
| C08 | C06 | sing | 1.51Å | 1.53Å | |
| O07 | C06 | doub | 1.21Å | 1.18Å | |
| C09 | C10 | sing | 1.53Å | 1.54Å | |
| C06 | N05 | sing | 1.37Å | 1.47Å | |
| C10 | N11 | sing | 1.48Å | 1.46Å | |
| N11 | C12 | sing | 1.36Å | 1.46Å | |
| N18 | C16 | doub | 1.30Å | 1.46Å | |
| N05 | C04 | sing | 1.48Å | 1.45Å | |
| C12 | C14 | sing | 1.51Å | 1.54Å | |
| C12 | O13 | doub | 1.21Å | 1.19Å | |
| C14 | C19 | sing | 1.53Å | 1.54Å | |
| C14 | N15 | sing | 1.46Å | 1.44Å | |
| C16 | N15 | sing | 1.38Å | 1.47Å | |
| C16 | N17 | sing | 1.37Å | 1.26Å | |
| C04 | C03 | sing | 1.51Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.54Å | |
| C21 | C20 | sing | 1.53Å | 1.56Å | |
| C21 | C22 | sing | 1.53Å | 1.56Å | |
| C03 | C02 | doub | 1.38Å | 1.39Å | Aromatic |
| C03 | C47 | sing | 1.38Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.38Å | 1.39Å | Aromatic |
| C47 | C46 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | N23 | sing | 1.48Å | 1.48Å | |
| C01 | C45 | doub | 1.38Å | 1.40Å | Aromatic |
| C46 | C45 | sing | 1.38Å | 1.39Å | Aromatic |
| N23 | C24 | sing | 1.37Å | 1.46Å | |
| O43 | C42 | doub | 1.21Å | 1.20Å | |
| C45 | C44 | sing | 1.51Å | 1.53Å | |
| O25 | C24 | doub | 1.21Å | 1.19Å | |
| C24 | C26 | sing | 1.51Å | 1.52Å | |
| C42 | C44 | sing | 1.51Å | 1.55Å | |
| C42 | N41 | sing | 1.37Å | 1.46Å | |
| O34 | C33 | doub | 1.21Å | 1.20Å | |
| C33 | C35 | sing | 1.51Å | 1.55Å | |
| C33 | N32 | sing | 1.36Å | 1.48Å | |
| C35 | N41 | sing | 1.48Å | 1.44Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C26 | N32 | sing | 1.48Å | 1.47Å | |
| C26 | C27 | sing | 1.53Å | 1.51Å | |
| C36 | C37 | sing | 1.53Å | 1.53Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C38 | C39 | sing | 1.53Å | 1.52Å | |
| C39 | N40 | sing | 1.47Å | 1.45Å | |
| C28 | C29 | sing | 1.53Å | 1.53Å | |
| C29 | C30 | sing | 1.53Å | 1.54Å | |
| C30 | N31 | sing | 1.47Å | 1.46Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | 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 | H011 | sing | 1.08Å | 1.08Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C04 | H042 | sing | 1.09Å | 1.10Å | |
| C04 | H041 | 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 | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| 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 | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C44 | H441 | sing | 1.09Å | 1.10Å | |
| C44 | H442 | sing | 1.09Å | 1.10Å | |
| C46 | H461 | sing | 1.08Å | 1.08Å | |
| C47 | H471 | sing | 1.08Å | 1.08Å | |
| N05 | H051 | sing | 0.97Å | 1.00Å | |
| N11 | H111 | sing | 0.97Å | 1.00Å | |
| N15 | H151 | sing | 0.97Å | 1.00Å | |
| N17 | H1 | sing | 0.97Å | 1.00Å | |
| N17 | H171 | sing | 0.97Å | 1.00Å | |
| N18 | H182 | sing | 0.97Å | 1.00Å | |
| N23 | H231 | sing | 0.97Å | 1.00Å | |
| N31 | H2 | sing | 1.01Å | 1.00Å | |
| N31 | H312 | sing | 1.01Å | 1.00Å | |
| N32 | H321 | sing | 0.97Å | 1.00Å | |
| N40 | H401 | sing | 1.01Å | 1.00Å | |
| N40 | H3 | sing | 1.01Å | 1.00Å | |
| N41 | H411 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | C08 | C06 | 111.2° | 109.5° |
| C08 | C09 | C10 | 109.1° | 109.5° |
| C09 | C08 | H082 | 109.0° | 109.4° |
| C09 | C08 | H081 | 109.0° | 109.5° |
| C08 | C09 | H091 | 109.6° | 109.5° |
| C08 | C09 | H092 | 109.6° | 109.4° |
| C08 | C06 | O07 | 118.2° | 120.6° |
| C08 | C06 | N05 | 122.3° | 118.8° |
| C06 | C08 | H082 | 109.0° | 109.5° |
| C06 | C08 | H081 | 109.0° | 109.5° |
| O07 | C06 | N05 | 119.5° | 120.6° |
| C09 | C10 | N11 | 112.3° | 108.9° |
| C09 | C10 | H101 | 108.8° | 109.6° |
| C09 | C10 | H102 | 108.8° | 109.7° |
| C10 | C09 | H091 | 109.5° | 109.5° |
| C10 | C09 | H092 | 109.6° | 109.5° |
| C06 | N05 | C04 | 118.5° | 115.4° |
| C06 | N05 | H051 | 120.8° | 122.3° |
| C10 | N11 | C12 | 120.0° | 116.7° |
| N11 | C10 | H101 | 108.8° | 109.5° |
| N11 | C10 | H102 | 108.8° | 109.6° |
| C10 | N11 | H111 | 120.0° | 121.7° |
| N11 | C12 | C14 | 120.4° | 119.1° |
| N11 | C12 | O13 | 117.9° | 120.4° |
| C12 | N11 | H111 | 120.0° | 121.6° |
| N18 | C16 | N15 | 120.9° | 120.0° |
| N18 | C16 | N17 | 119.0° | 120.0° |
| C16 | N18 | H182 | 112.0° | 119.9° |
| N05 | C04 | C03 | 111.1° | 108.7° |
| N05 | C04 | H042 | 109.1° | 109.6° |
| N05 | C04 | H041 | 109.1° | 109.6° |
| C04 | N05 | H051 | 120.7° | 122.3° |
| C14 | C12 | O13 | 121.7° | 120.4° |
| C12 | C14 | C19 | 108.0° | 109.5° |
| C12 | C14 | N15 | 109.7° | 109.5° |
| C12 | C14 | H141 | 108.2° | 109.5° |
| C19 | C14 | N15 | 112.9° | 109.5° |
| C14 | C19 | C20 | 117.5° | 109.5° |
| C19 | C14 | H141 | 108.3° | 109.5° |
| C14 | C19 | H192 | 107.4° | 109.5° |
| C14 | C19 | H191 | 107.5° | 109.4° |
| C14 | N15 | C16 | 118.4° | 120.0° |
| N15 | C14 | H141 | 109.6° | 109.4° |
| C14 | N15 | H151 | 120.8° | 120.0° |
| N15 | C16 | N17 | 120.0° | 120.0° |
| C16 | N15 | H151 | 120.8° | 120.0° |
| C16 | N17 | H1 | 120.0° | 120.0° |
| C16 | N17 | H171 | 120.0° | 120.0° |
| C04 | C03 | C02 | 121.3° | 120.0° |
| C04 | C03 | C47 | 117.5° | 119.9° |
| C03 | C04 | H042 | 109.1° | 109.7° |
| C03 | C04 | H041 | 109.0° | 109.6° |
| C19 | C20 | C21 | 104.1° | 109.5° |
| C19 | C20 | H202 | 110.8° | 109.5° |
| C19 | C20 | H201 | 110.8° | 109.4° |
| C20 | C19 | H192 | 107.5° | 109.5° |
| C20 | C19 | H191 | 107.4° | 109.5° |
| C20 | C21 | C22 | 110.7° | 109.5° |
| C21 | C20 | H202 | 110.8° | 109.5° |
| C21 | C20 | H201 | 110.8° | 109.5° |
| C20 | C21 | H211 | 109.2° | 109.4° |
| C20 | C21 | H212 | 109.2° | 109.5° |
| C21 | C22 | N23 | 105.4° | 108.6° |
| C22 | C21 | H211 | 109.1° | 109.4° |
| C22 | C21 | H212 | 109.2° | 109.5° |
| C21 | C22 | H221 | 110.5° | 109.6° |
| C21 | C22 | H222 | 110.5° | 109.7° |
| C02 | C03 | C47 | 121.2° | 120.0° |
| C03 | C02 | C01 | 118.7° | 120.0° |
| C03 | C02 | H021 | 120.7° | 120.0° |
| C03 | C47 | C46 | 120.4° | 120.0° |
| C03 | C47 | H471 | 119.8° | 120.0° |
| C02 | C01 | C45 | 120.1° | 119.9° |
| C02 | C01 | H011 | 120.0° | 120.0° |
| C01 | C02 | H021 | 120.7° | 120.0° |
| C47 | C46 | C45 | 118.5° | 120.0° |
| C47 | C46 | H461 | 120.7° | 120.0° |
| C46 | C47 | H471 | 119.8° | 120.0° |
| C22 | N23 | C24 | 120.5° | 115.5° |
| N23 | C22 | H221 | 110.5° | 109.6° |
| N23 | C22 | H222 | 110.5° | 109.6° |
| C22 | N23 | H231 | 119.7° | 122.3° |
| C01 | C45 | C46 | 121.2° | 120.0° |
| C01 | C45 | C44 | 120.5° | 120.2° |
| C45 | C01 | H011 | 119.9° | 120.0° |
| C46 | C45 | C44 | 118.3° | 119.8° |
| C45 | C46 | H461 | 120.8° | 120.0° |
| N23 | C24 | O25 | 121.0° | 120.5° |
| N23 | C24 | C26 | 118.5° | 119.0° |
| C24 | N23 | H231 | 119.7° | 122.2° |
| O43 | C42 | C44 | 121.6° | 120.6° |
| O43 | C42 | N41 | 121.1° | 120.6° |
| C45 | C44 | C42 | 108.4° | 109.9° |
| C45 | C44 | H441 | 109.7° | 109.4° |
| C45 | C44 | H442 | 109.8° | 109.4° |
| O25 | C24 | C26 | 120.5° | 120.5° |
| C24 | C26 | N32 | 107.6° | 108.8° |
| C24 | C26 | C27 | 113.8° | 109.6° |
| C24 | C26 | H261 | 108.9° | 109.6° |
| C44 | C42 | N41 | 117.2° | 118.8° |
| C42 | C44 | H441 | 109.7° | 109.3° |
| C42 | C44 | H442 | 109.8° | 109.4° |
| C42 | N41 | C35 | 121.3° | 115.6° |
| C42 | N41 | H411 | 119.3° | 122.2° |
| O34 | C33 | C35 | 120.0° | 120.5° |
| O34 | C33 | N32 | 122.6° | 120.6° |
| C35 | C33 | N32 | 117.4° | 119.0° |
| C33 | C35 | N41 | 111.8° | 108.8° |
| C33 | C35 | C36 | 107.5° | 109.6° |
| C33 | C35 | H351 | 109.2° | 109.6° |
| C33 | N32 | C26 | 124.4° | 116.6° |
| C33 | N32 | H321 | 117.8° | 121.7° |
| N41 | C35 | C36 | 108.2° | 109.6° |
| N41 | C35 | H351 | 110.7° | 109.6° |
| C35 | N41 | H411 | 119.4° | 122.2° |
| C35 | C36 | C37 | 114.3° | 109.5° |
| C36 | C35 | H351 | 109.4° | 109.7° |
| C35 | C36 | H361 | 108.2° | 109.4° |
| C35 | C36 | H362 | 108.3° | 109.5° |
| N32 | C26 | C27 | 108.0° | 109.6° |
| N32 | C26 | H261 | 109.5° | 109.6° |
| C26 | N32 | H321 | 117.8° | 121.6° |
| C26 | C27 | C28 | 108.5° | 109.4° |
| C27 | C26 | H261 | 109.0° | 109.7° |
| C26 | C27 | H271 | 109.7° | 109.4° |
| C26 | C27 | H272 | 109.7° | 109.5° |
| C36 | C37 | C38 | 105.8° | 109.5° |
| C37 | C36 | H361 | 108.3° | 109.5° |
| C37 | C36 | H362 | 108.3° | 109.5° |
| C36 | C37 | H372 | 110.4° | 109.5° |
| C36 | C37 | H371 | 110.4° | 109.5° |
| C27 | C28 | C29 | 115.1° | 109.5° |
| C27 | C28 | H282 | 108.1° | 109.5° |
| C27 | C28 | H281 | 108.1° | 109.5° |
| C28 | C27 | H271 | 109.7° | 109.5° |
| C28 | C27 | H272 | 109.7° | 109.5° |
| C37 | C38 | C39 | 110.6° | 109.4° |
| C38 | C37 | H372 | 110.4° | 109.5° |
| C38 | C37 | H371 | 110.4° | 109.5° |
| C37 | C38 | H381 | 109.2° | 109.4° |
| C37 | C38 | H382 | 109.2° | 109.5° |
| C38 | C39 | N40 | 107.1° | 109.4° |
| C39 | C38 | H381 | 109.2° | 109.5° |
| C39 | C38 | H382 | 109.2° | 109.5° |
| C38 | C39 | H391 | 110.0° | 109.5° |
| C38 | C39 | H392 | 110.1° | 109.5° |
| N40 | C39 | H391 | 110.1° | 109.5° |
| N40 | C39 | H392 | 110.0° | 109.4° |
| C39 | N40 | H401 | 109.5° | 111.0° |
| C39 | N40 | H3 | 109.5° | 111.0° |
| C28 | C29 | C30 | 106.0° | 109.5° |
| C29 | C28 | H282 | 108.1° | 109.4° |
| C29 | C28 | H281 | 108.0° | 109.5° |
| C28 | C29 | H291 | 110.3° | 109.5° |
| C28 | C29 | H292 | 110.3° | 109.5° |
| C29 | C30 | N31 | 115.9° | 109.5° |
| C30 | C29 | H291 | 110.3° | 109.4° |
| C30 | C29 | H292 | 110.3° | 109.4° |
| C29 | C30 | H302 | 107.8° | 109.5° |
| C29 | C30 | H301 | 107.8° | 109.4° |
| N31 | C30 | H302 | 107.9° | 109.5° |
| N31 | C30 | H301 | 107.9° | 109.5° |
| C30 | N31 | H2 | 109.5° | 111.0° |
| C30 | N31 | H312 | 109.4° | 111.1° |
| H101 | C10 | H102 | 109.5° | 109.6° |
| H202 | C20 | H201 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.8° |
| H282 | C28 | H281 | 109.5° | 109.4° |
| H042 | C04 | H041 | 109.5° | 109.7° |
| H082 | C08 | H081 | 109.5° | 109.5° |
| H091 | C09 | H092 | 109.5° | 109.5° |
| H192 | C19 | H191 | 109.5° | 109.5° |
| H271 | C27 | H272 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H302 | C30 | H301 | 109.4° | 109.5° |
| H361 | C36 | H362 | 109.4° | 109.5° |
| H372 | C37 | H371 | 109.5° | 109.4° |
| H381 | C38 | H382 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.5° | 109.5° |
| H441 | C44 | H442 | 109.5° | 109.4° |
| H1 | N17 | H171 | 120.0° | 120.0° |
| H2 | N31 | H312 | 109.5° | 111.0° |
| H401 | N40 | H3 | 109.4° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | C08 | C06 | H082 | 120.3° | 119.9° |
| C09 | C08 | C06 | H081 | 120.3° | 120.0° |
| C09 | C08 | C06 | O07 | 162.4° | 12.3° |
| C08 | C09 | C10 | H091 | 119.9° | 120.0° |
| C08 | C09 | C10 | H092 | 119.9° | 120.0° |
| C09 | C08 | C06 | N05 | 18.6° | 167.7° |
| C08 | C09 | C10 | N11 | 38.2° | 133.7° |
| C08 | C09 | C10 | H101 | 158.7° | 13.9° |
| C08 | C09 | C10 | H102 | 82.2° | 106.4° |
| C09 | C08 | H082 | H081 | 119.2° | 120.0° |
| C08 | C09 | H091 | H092 | 120.2° | 119.9° |
| C08 | C06 | O07 | N05 | 179.0° | 179.9° |
| C06 | C08 | C09 | C10 | 117.0° | 167.2° |
| C08 | C06 | N05 | C04 | 179.2° | 179.9° |
| C06 | C08 | H082 | H081 | 119.2° | 120.1° |
| C06 | C08 | C09 | H091 | 2.9° | 47.2° |
| C06 | C08 | C09 | H092 | 123.1° | 72.8° |
| C08 | C06 | N05 | H051 | 0.8° | 0.1° |
| O07 | C06 | N05 | C04 | 0.3° | 0.2° |
| O07 | C06 | C08 | H082 | 42.1° | 107.6° |
| O07 | C06 | C08 | H081 | 77.3° | 132.3° |
| O07 | C06 | N05 | H051 | 179.7° | 179.9° |
| C09 | C10 | N11 | H101 | 120.4° | 119.8° |
| C09 | C10 | N11 | H102 | 120.4° | 119.9° |
| C09 | C10 | N11 | C12 | 88.8° | 129.3° |
| C09 | C10 | H101 | H102 | 118.7° | 120.4° |
| C10 | C09 | C08 | H082 | 3.3° | 47.3° |
| C10 | C09 | C08 | H081 | 122.7° | 72.8° |
| C10 | C09 | H091 | H092 | 120.2° | 120.0° |
| C09 | C10 | N11 | H111 | 91.1° | 50.8° |
| C06 | N05 | C04 | H051 | 180.0° | 179.9° |
| C06 | N05 | C04 | C03 | 111.9° | 88.4° |
| C06 | N05 | C04 | H042 | 8.3° | 151.8° |
| C06 | N05 | C04 | H041 | 127.9° | 31.4° |
| N05 | C06 | C08 | H082 | 138.9° | 72.3° |
| N05 | C06 | C08 | H081 | 101.6° | 47.8° |
| C10 | N11 | C12 | H111 | 180.0° | 179.9° |
| C10 | N11 | C12 | C14 | 179.4° | 179.9° |
| C10 | N11 | C12 | O13 | 0.8° | 0.0° |
| N11 | C10 | H101 | H102 | 118.7° | 120.2° |
| N11 | C10 | C09 | H091 | 81.7° | 13.7° |
| N11 | C10 | C09 | H092 | 158.2° | 106.3° |
| N11 | C12 | C14 | O13 | 179.8° | 180.0° |
| N11 | C12 | C14 | C19 | 106.1° | 164.2° |
| N11 | C12 | C14 | N15 | 130.4° | 44.1° |
| C12 | N11 | C10 | H101 | 31.6° | 9.5° |
| C12 | N11 | C10 | H102 | 150.7° | 110.8° |
| N11 | C12 | C14 | H141 | 10.9° | 75.8° |
| N18 | C16 | N15 | C14 | 0.5° | 0.0° |
| N18 | C16 | N15 | N17 | 179.8° | 179.9° |
| N18 | C16 | N15 | H151 | 179.6° | 180.0° |
| N18 | C16 | N17 | H1 | 179.8° | 179.9° |
| N18 | C16 | N17 | H171 | 0.2° | 0.0° |
| N05 | C04 | C03 | H042 | 120.2° | 119.8° |
| N05 | C04 | C03 | H041 | 120.3° | 119.8° |
| N05 | C04 | C03 | C02 | 3.2° | 133.5° |
| N05 | C04 | C03 | C47 | 177.1° | 46.6° |
| N05 | C04 | H042 | H041 | 119.3° | 120.4° |
| C12 | C14 | C19 | N15 | 121.5° | 120.0° |
| C12 | C14 | C19 | H141 | 117.0° | 120.0° |
| C12 | C14 | N15 | H141 | 118.7° | 120.0° |
| C12 | C14 | N15 | C16 | 91.9° | 115.1° |
| C12 | C14 | C19 | C20 | 128.8° | 133.7° |
| C12 | C14 | C19 | H192 | 7.6° | 106.2° |
| C12 | C14 | C19 | H191 | 110.1° | 13.8° |
| C14 | C12 | N11 | H111 | 0.5° | 0.0° |
| C12 | C14 | N15 | H151 | 88.1° | 64.8° |
| O13 | C12 | C14 | C19 | 73.7° | 15.9° |
| O13 | C12 | C14 | N15 | 49.8° | 135.9° |
| O13 | C12 | C14 | H141 | 169.3° | 104.2° |
| O13 | C12 | N11 | H111 | 179.3° | 179.9° |
| C19 | C14 | N15 | H141 | 120.8° | 120.0° |
| C19 | C14 | N15 | C16 | 147.6° | 124.8° |
| C14 | C19 | C20 | H192 | 121.1° | 120.0° |
| C14 | C19 | C20 | H191 | 121.2° | 119.9° |
| C14 | C19 | C20 | C21 | 159.4° | 136.5° |
| C14 | C19 | C20 | H202 | 40.3° | 16.4° |
| C14 | C19 | C20 | H201 | 81.4° | 103.6° |
| C14 | C19 | H192 | H191 | 116.4° | 119.9° |
| C19 | C14 | N15 | H151 | 32.4° | 55.2° |
| C14 | N15 | C16 | H151 | 180.0° | 180.0° |
| C14 | N15 | C16 | N17 | 179.8° | 180.0° |
| N15 | C14 | C19 | C20 | 7.3° | 13.7° |
| N15 | C14 | C19 | H192 | 113.9° | 133.8° |
| N15 | C14 | C19 | H191 | 128.4° | 106.2° |
| C16 | N15 | C14 | H141 | 26.8° | 4.9° |
| N15 | C16 | N17 | H1 | 0.0° | 0.1° |
| N15 | C16 | N17 | H171 | 180.0° | 180.0° |
| N15 | C16 | N18 | H182 | 179.8° | 180.0° |
| N17 | C16 | N15 | H151 | 0.2° | 0.1° |
| C16 | N17 | H1 | H171 | 180.0° | 179.9° |
| N17 | C16 | N18 | H182 | 0.0° | 0.0° |
| C04 | C03 | C02 | C47 | 179.7° | 179.9° |
| C04 | C03 | C02 | C01 | 179.7° | 179.6° |
| C04 | C03 | C47 | C46 | 179.8° | 179.6° |
| C04 | C03 | C02 | H021 | 0.2° | 0.5° |
| C03 | C04 | H042 | H041 | 119.2° | 120.4° |
| C04 | C03 | C47 | H471 | 0.2° | 0.3° |
| C03 | C04 | N05 | H051 | 68.1° | 91.7° |
| C19 | C20 | C21 | H202 | 119.1° | 120.0° |
| C19 | C20 | C21 | H201 | 119.1° | 120.0° |
| C19 | C20 | C21 | C22 | 103.6° | 163.7° |
| C19 | C20 | H202 | H201 | 122.5° | 120.0° |
| C19 | C20 | C21 | H211 | 16.5° | 76.4° |
| C19 | C20 | C21 | H212 | 136.2° | 43.7° |
| C20 | C19 | C14 | H141 | 114.2° | 106.2° |
| C20 | C19 | H192 | H191 | 116.4° | 120.0° |
| C20 | C21 | C22 | H211 | 120.2° | 119.9° |
| C20 | C21 | C22 | H212 | 120.2° | 120.1° |
| C20 | C21 | C22 | N23 | 76.9° | 163.6° |
| C21 | C20 | H202 | H201 | 122.5° | 120.0° |
| C20 | C21 | H211 | H212 | 119.5° | 120.0° |
| C20 | C21 | C22 | H221 | 42.4° | 76.7° |
| C20 | C21 | C22 | H222 | 163.7° | 43.9° |
| C21 | C20 | C19 | H192 | 79.4° | 103.5° |
| C21 | C20 | C19 | H191 | 38.3° | 16.5° |
| C21 | C22 | N23 | H221 | 119.4° | 119.7° |
| C21 | C22 | N23 | H222 | 119.4° | 119.8° |
| C21 | C22 | N23 | C24 | 89.7° | 95.2° |
| C22 | C21 | C20 | H202 | 137.3° | 76.3° |
| C22 | C21 | C20 | H201 | 15.5° | 43.7° |
| C22 | C21 | H211 | H212 | 119.4° | 120.0° |
| C21 | C22 | H221 | H222 | 121.9° | 120.5° |
| C21 | C22 | N23 | H231 | 90.3° | 84.8° |
| C03 | C02 | C01 | H021 | 180.0° | 179.9° |
| C02 | C03 | C47 | C46 | 0.1° | 0.3° |
| C03 | C02 | C01 | C45 | 0.2° | 0.0° |
| C03 | C02 | C01 | H011 | 179.8° | 179.9° |
| C02 | C03 | C04 | H042 | 123.5° | 106.7° |
| C02 | C03 | C04 | H041 | 117.0° | 13.8° |
| C02 | C03 | C47 | H471 | 179.9° | 179.8° |
| C47 | C03 | C02 | C01 | 0.1° | 0.3° |
| C03 | C47 | C46 | H471 | 180.0° | 179.9° |
| C03 | C47 | C46 | C45 | 0.3° | 0.0° |
| C47 | C03 | C02 | H021 | 179.9° | 179.7° |
| C47 | C03 | C04 | H042 | 56.9° | 73.2° |
| C47 | C03 | C04 | H041 | 62.7° | 166.4° |
| C03 | C47 | C46 | H461 | 179.7° | 180.0° |
| C02 | C01 | C45 | H011 | 180.0° | 179.9° |
| C02 | C01 | C45 | C46 | 0.4° | 0.3° |
| C02 | C01 | C45 | C44 | 179.8° | 179.4° |
| C47 | C46 | C45 | C01 | 0.4° | 0.3° |
| C47 | C46 | C45 | H461 | 180.0° | 180.0° |
| C47 | C46 | C45 | C44 | 179.9° | 179.4° |
| C22 | N23 | C24 | H231 | 180.0° | 180.0° |
| C22 | N23 | C24 | O25 | 0.4° | 0.4° |
| C22 | N23 | C24 | C26 | 177.5° | 179.6° |
| N23 | C22 | C21 | H211 | 162.9° | 43.7° |
| N23 | C22 | C21 | H212 | 43.3° | 76.3° |
| N23 | C22 | H221 | H222 | 121.9° | 120.5° |
| C01 | C45 | C46 | C44 | 179.4° | 179.7° |
| C01 | C45 | C44 | C42 | 88.8° | 66.9° |
| C45 | C01 | C02 | H021 | 179.7° | 179.9° |
| C01 | C45 | C44 | H441 | 151.4° | 173.0° |
| C01 | C45 | C44 | H442 | 31.1° | 53.2° |
| C01 | C45 | C46 | H461 | 179.6° | 179.7° |
| C46 | C45 | C44 | C42 | 90.6° | 113.4° |
| C46 | C45 | C01 | H011 | 179.6° | 179.7° |
| C46 | C45 | C44 | H441 | 29.2° | 6.7° |
| C46 | C45 | C44 | H442 | 149.5° | 126.5° |
| C45 | C46 | C47 | H471 | 179.7° | 179.9° |
| N23 | C24 | O25 | C26 | 177.8° | 180.0° |
| N23 | C24 | C26 | N32 | 127.4° | 170.2° |
| N23 | C24 | C26 | C27 | 113.0° | 50.4° |
| C24 | N23 | C22 | H221 | 29.6° | 145.2° |
| C24 | N23 | C22 | H222 | 150.9° | 24.6° |
| N23 | C24 | C26 | H261 | 8.8° | 70.0° |
| O43 | C42 | C44 | C45 | 9.0° | 36.6° |
| O43 | C42 | C44 | N41 | 178.8° | 180.0° |
| O43 | C42 | N41 | C35 | 1.1° | 1.7° |
| O43 | C42 | C44 | H441 | 110.9° | 156.8° |
| O43 | C42 | C44 | H442 | 128.8° | 83.4° |
| O43 | C42 | N41 | H411 | 178.9° | 178.3° |
| C45 | C44 | C42 | H441 | 119.8° | 120.1° |
| C45 | C44 | C42 | H442 | 119.9° | 120.1° |
| C45 | C44 | C42 | N41 | 169.8° | 143.4° |
| C44 | C45 | C01 | H011 | 0.2° | 0.6° |
| C45 | C44 | H441 | H442 | 120.5° | 119.8° |
| C44 | C45 | C46 | H461 | 0.1° | 0.6° |
| O25 | C24 | C26 | N32 | 50.4° | 9.8° |
| O25 | C24 | C26 | C27 | 69.2° | 129.6° |
| O25 | C24 | C26 | H261 | 169.0° | 110.0° |
| O25 | C24 | N23 | H231 | 179.7° | 179.6° |
| C24 | C26 | N32 | C33 | 103.1° | 123.8° |
| C24 | C26 | N32 | C27 | 123.2° | 119.8° |
| C24 | C26 | N32 | H261 | 118.2° | 119.8° |
| C24 | C26 | C27 | H261 | 121.7° | 120.4° |
| C24 | C26 | C27 | C28 | 177.6° | 51.6° |
| C24 | C26 | C27 | H271 | 57.8° | 68.4° |
| C24 | C26 | C27 | H272 | 62.5° | 171.6° |
| C26 | C24 | N23 | H231 | 2.5° | 0.4° |
| C24 | C26 | N32 | H321 | 76.9° | 56.2° |
| C44 | C42 | N41 | C35 | 180.0° | 178.3° |
| C42 | C44 | H441 | H442 | 120.5° | 119.8° |
| C44 | C42 | N41 | H411 | 0.0° | 1.7° |
| C42 | N41 | C35 | C33 | 106.6° | 120.0° |
| C42 | N41 | C35 | H411 | 180.0° | 179.9° |
| C42 | N41 | C35 | C36 | 135.3° | 120.3° |
| C42 | N41 | C35 | H351 | 15.5° | 0.2° |
| N41 | C42 | C44 | H441 | 70.3° | 23.3° |
| N41 | C42 | C44 | H442 | 50.0° | 96.6° |
| O34 | C33 | C35 | N32 | 179.1° | 180.0° |
| O34 | C33 | C35 | N41 | 174.5° | 14.5° |
| O34 | C33 | C35 | C36 | 66.9° | 105.3° |
| O34 | C33 | N32 | C26 | 0.1° | 0.4° |
| O34 | C33 | C35 | H351 | 51.7° | 134.3° |
| O34 | C33 | N32 | H321 | 179.9° | 179.7° |
| C33 | C35 | N41 | C36 | 118.1° | 119.8° |
| C33 | C35 | N41 | H351 | 122.0° | 119.8° |
| C33 | C35 | C36 | H351 | 118.4° | 120.3° |
| C35 | C33 | N32 | C26 | 179.1° | 179.6° |
| C33 | C35 | C36 | C37 | 171.4° | 175.0° |
| C33 | C35 | C36 | H361 | 50.6° | 65.0° |
| C33 | C35 | C36 | H362 | 67.9° | 55.0° |
| C35 | C33 | N32 | H321 | 0.9° | 0.4° |
| C33 | C35 | N41 | H411 | 73.4° | 60.0° |
| N32 | C33 | C35 | N41 | 6.4° | 165.5° |
| N32 | C33 | C35 | C36 | 112.2° | 74.8° |
| C33 | N32 | C26 | H321 | 180.0° | 180.0° |
| C33 | N32 | C26 | C27 | 133.7° | 4.0° |
| C33 | N32 | C26 | H261 | 15.2° | 116.4° |
| N32 | C33 | C35 | H351 | 129.3° | 45.6° |
| N41 | C35 | C36 | H351 | 120.7° | 120.4° |
| N41 | C35 | C36 | C37 | 50.5° | 65.7° |
| N41 | C35 | C36 | H361 | 70.3° | 54.4° |
| N41 | C35 | C36 | H362 | 171.2° | 174.3° |
| C35 | C36 | C37 | H361 | 120.7° | 120.0° |
| C35 | C36 | C37 | H362 | 120.7° | 120.0° |
| C35 | C36 | C37 | C38 | 147.1° | 180.0° |
| C35 | C36 | H361 | H362 | 117.8° | 120.0° |
| C35 | C36 | C37 | H372 | 27.6° | 60.0° |
| C35 | C36 | C37 | H371 | 93.5° | 60.0° |
| C36 | C35 | N41 | H411 | 44.7° | 59.8° |
| N32 | C26 | C27 | H261 | 118.9° | 120.3° |
| N32 | C26 | C27 | C28 | 58.3° | 67.7° |
| N32 | C26 | C27 | H271 | 61.6° | 172.3° |
| N32 | C26 | C27 | H272 | 178.1° | 52.3° |
| C26 | C27 | C28 | H271 | 119.8° | 119.9° |
| C26 | C27 | C28 | H272 | 119.9° | 120.0° |
| C26 | C27 | C28 | C29 | 72.0° | 173.9° |
| C26 | C27 | C28 | H282 | 48.8° | 53.9° |
| C26 | C27 | C28 | H281 | 167.2° | 66.1° |
| C26 | C27 | H271 | H272 | 120.5° | 120.0° |
| C27 | C26 | N32 | H321 | 46.3° | 176.0° |
| C36 | C37 | C38 | H372 | 119.4° | 120.0° |
| C36 | C37 | C38 | H371 | 119.4° | 120.0° |
| C36 | C37 | C38 | C39 | 162.5° | 180.0° |
| C37 | C36 | C35 | H351 | 70.2° | 54.7° |
| C37 | C36 | H361 | H362 | 117.8° | 120.1° |
| C36 | C37 | H372 | H371 | 121.7° | 120.0° |
| C36 | C37 | C38 | H381 | 77.4° | 60.0° |
| C36 | C37 | C38 | H382 | 42.3° | 60.0° |
| C27 | C28 | C29 | H282 | 120.8° | 120.0° |
| C27 | C28 | C29 | H281 | 120.8° | 120.1° |
| C27 | C28 | C29 | C30 | 151.2° | 180.0° |
| C28 | C27 | C26 | H261 | 60.6° | 172.0° |
| C27 | C28 | H282 | H281 | 117.5° | 120.1° |
| C28 | C27 | H271 | H272 | 120.4° | 120.0° |
| C27 | C28 | C29 | H291 | 31.7° | 60.0° |
| C27 | C28 | C29 | H292 | 89.4° | 60.0° |
| C37 | C38 | C39 | H381 | 120.2° | 120.0° |
| C37 | C38 | C39 | H382 | 120.2° | 120.0° |
| C37 | C38 | C39 | N40 | 99.8° | 180.0° |
| C38 | C37 | C36 | H361 | 92.2° | 60.0° |
| C38 | C37 | C36 | H362 | 26.3° | 60.0° |
| C38 | C37 | H372 | H371 | 121.7° | 120.0° |
| C37 | C38 | H381 | H382 | 119.5° | 120.0° |
| C37 | C38 | C39 | H391 | 140.5° | 60.0° |
| C37 | C38 | C39 | H392 | 19.8° | 60.0° |
| C38 | C39 | N40 | H391 | 119.6° | 120.1° |
| C38 | C39 | N40 | H392 | 119.6° | 119.9° |
| C39 | C38 | C37 | H372 | 43.1° | 60.0° |
| C39 | C38 | C37 | H371 | 78.1° | 60.0° |
| C39 | C38 | H381 | H382 | 119.5° | 120.1° |
| C38 | C39 | H391 | H392 | 121.1° | 120.0° |
| C38 | C39 | N40 | H401 | 180.0° | 180.0° |
| C38 | C39 | N40 | H3 | 60.0° | 56.0° |
| N40 | C39 | C38 | H381 | 20.3° | 60.0° |
| N40 | C39 | C38 | H382 | 140.0° | 60.1° |
| N40 | C39 | H391 | H392 | 121.1° | 120.0° |
| C39 | N40 | H401 | H3 | 120.0° | 124.0° |
| C28 | C29 | C30 | H291 | 119.5° | 120.0° |
| C28 | C29 | C30 | H292 | 119.5° | 120.0° |
| C28 | C29 | C30 | N31 | 125.8° | 180.0° |
| C29 | C28 | H282 | H281 | 117.4° | 119.9° |
| C29 | C28 | C27 | H271 | 168.1° | 66.2° |
| C29 | C28 | C27 | H272 | 47.8° | 53.9° |
| C28 | C29 | H291 | H292 | 121.6° | 120.0° |
| C28 | C29 | C30 | H302 | 4.8° | 60.0° |
| C28 | C29 | C30 | H301 | 113.3° | 60.0° |
| C29 | C30 | N31 | H302 | 120.9° | 120.0° |
| C29 | C30 | N31 | H301 | 121.0° | 120.0° |
| C30 | C29 | C28 | H282 | 88.0° | 60.0° |
| C30 | C29 | C28 | H281 | 30.3° | 60.0° |
| C30 | C29 | H291 | H292 | 121.6° | 120.0° |
| C29 | C30 | H302 | H301 | 117.1° | 120.0° |
| C29 | C30 | N31 | H2 | 180.0° | 56.0° |
| C29 | C30 | N31 | H312 | 60.0° | 180.0° |
| N31 | C30 | C29 | H291 | 114.8° | 60.0° |
| N31 | C30 | C29 | H292 | 6.3° | 60.0° |
| N31 | C30 | H302 | H301 | 117.1° | 120.0° |
| C30 | N31 | H2 | H312 | 120.0° | 124.0° |
| H101 | C10 | C09 | H091 | 38.7° | 106.1° |
| H101 | C10 | C09 | H092 | 81.4° | 133.9° |
| H101 | C10 | N11 | H111 | 148.5° | 170.6° |
| H102 | C10 | C09 | H091 | 157.9° | 133.6° |
| H102 | C10 | C09 | H092 | 37.7° | 13.6° |
| H102 | C10 | N11 | H111 | 29.3° | 69.1° |
| H202 | C20 | C21 | H211 | 102.6° | 43.6° |
| H202 | C20 | C21 | H212 | 17.1° | 163.7° |
| H202 | C20 | C19 | H192 | 161.4° | 136.5° |
| H202 | C20 | C19 | H191 | 80.9° | 103.5° |
| H201 | C20 | C21 | H211 | 135.7° | 163.7° |
| H201 | C20 | C21 | H212 | 104.7° | 76.3° |
| H201 | C20 | C19 | H192 | 39.7° | 16.5° |
| H201 | C20 | C19 | H191 | 157.4° | 136.5° |
| H211 | C21 | C22 | H221 | 77.8° | 163.4° |
| H211 | C21 | C22 | H222 | 43.5° | 76.1° |
| H212 | C21 | C22 | H221 | 162.6° | 43.4° |
| H212 | C21 | C22 | H222 | 76.1° | 163.9° |
| H221 | C22 | N23 | H231 | 150.4° | 34.8° |
| H222 | C22 | N23 | H231 | 29.1° | 155.4° |
| H261 | C26 | C27 | H271 | 179.5° | 52.0° |
| H261 | C26 | C27 | H272 | 59.2° | 68.0° |
| H261 | C26 | N32 | H321 | 164.8° | 63.7° |
| H282 | C28 | C27 | H271 | 71.0° | 173.8° |
| H282 | C28 | C27 | H272 | 168.7° | 66.1° |
| H282 | C28 | C29 | H291 | 152.5° | 179.9° |
| H282 | C28 | C29 | H292 | 31.4° | 60.0° |
| H281 | C28 | C27 | H271 | 47.3° | 53.8° |
| H281 | C28 | C27 | H272 | 73.0° | 173.9° |
| H281 | C28 | C29 | H291 | 89.1° | 60.0° |
| H281 | C28 | C29 | H292 | 149.8° | 180.0° |
| H011 | C01 | C02 | H021 | 0.2° | 0.0° |
| H042 | C04 | N05 | H051 | 171.7° | 28.2° |
| H041 | C04 | N05 | H051 | 52.1° | 148.6° |
| H082 | C08 | C09 | H091 | 123.2° | 72.8° |
| H082 | C08 | C09 | H092 | 116.6° | 167.3° |
| H081 | C08 | C09 | H091 | 117.4° | 167.2° |
| H081 | C08 | C09 | H092 | 2.8° | 47.2° |
| H141 | C14 | C19 | H192 | 124.6° | 13.8° |
| H141 | C14 | C19 | H191 | 6.9° | 133.8° |
| H141 | C14 | N15 | H151 | 153.2° | 175.2° |
| H291 | C29 | C30 | H302 | 124.3° | 180.0° |
| H291 | C29 | C30 | H301 | 6.2° | 60.0° |
| H292 | C29 | C30 | H302 | 114.6° | 60.0° |
| H292 | C29 | C30 | H301 | 127.3° | 180.0° |
| H302 | C30 | N31 | H2 | 59.1° | 64.0° |
| H302 | C30 | N31 | H312 | 179.1° | 60.0° |
| H301 | C30 | N31 | H2 | 59.0° | 176.0° |
| H301 | C30 | N31 | H312 | 61.0° | 60.0° |
| H351 | C35 | C36 | H361 | 169.1° | 174.7° |
| H351 | C35 | C36 | H362 | 50.5° | 65.3° |
| H351 | C35 | N41 | H411 | 164.5° | 179.8° |
| H361 | C36 | C37 | H372 | 148.4° | 180.0° |
| H361 | C36 | C37 | H371 | 27.2° | 60.0° |
| H362 | C36 | C37 | H372 | 93.1° | 60.0° |
| H362 | C36 | C37 | H371 | 145.8° | 180.0° |
| H372 | C37 | C38 | H381 | 163.2° | 180.0° |
| H372 | C37 | C38 | H382 | 77.1° | 60.0° |
| H371 | C37 | C38 | H381 | 42.1° | 60.0° |
| H371 | C37 | C38 | H382 | 161.7° | 180.0° |
| H381 | C38 | C39 | H391 | 99.3° | 180.0° |
| H381 | C38 | C39 | H392 | 139.9° | 59.9° |
| H382 | C38 | C39 | H391 | 20.3° | 60.0° |
| H382 | C38 | C39 | H392 | 100.4° | 180.0° |
| H391 | C39 | N40 | H401 | 60.4° | 59.9° |
| H391 | C39 | N40 | H3 | 179.6° | 176.0° |
| H392 | C39 | N40 | H401 | 60.4° | 60.1° |
| H392 | C39 | N40 | H3 | 59.6° | 64.0° |
| H461 | C46 | C47 | H471 | 0.3° | 0.1° |
