7Q3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N21 | C19 | doub | 1.30Å | 1.45Å | |
| O16 | C15 | doub | 1.21Å | 1.18Å | |
| C19 | N18 | sing | 1.38Å | 1.46Å | |
| C19 | N20 | sing | 1.37Å | 1.25Å | |
| N18 | C17 | sing | 1.46Å | 1.46Å | |
| C22 | C17 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C15 | C17 | sing | 1.51Å | 1.53Å | |
| C15 | N14 | sing | 1.36Å | 1.46Å | |
| O12 | C11 | doub | 1.21Å | 1.19Å | |
| C13 | N14 | sing | 1.48Å | 1.46Å | |
| C13 | C11 | sing | 1.51Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.53Å | |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C11 | N10 | sing | 1.37Å | 1.45Å | |
| C25 | N26 | sing | 1.48Å | 1.45Å | |
| N10 | C09 | sing | 1.48Å | 1.45Å | |
| C09 | C07 | sing | 1.51Å | 1.54Å | |
| N06 | C07 | sing | 1.36Å | 1.46Å | |
| N06 | C05 | sing | 1.48Å | 1.45Å | |
| C07 | O08 | doub | 1.21Å | 1.19Å | |
| N26 | C27 | sing | 1.37Å | 1.45Å | |
| C05 | C03 | sing | 1.51Å | 1.52Å | |
| O28 | C27 | doub | 1.21Å | 1.18Å | |
| C27 | C29 | sing | 1.51Å | 1.52Å | |
| C03 | N02 | sing | 1.37Å | 1.46Å | |
| C03 | O04 | doub | 1.21Å | 1.19Å | |
| N02 | C01 | sing | 1.48Å | 1.44Å | |
| O37 | C36 | doub | 1.21Å | 1.19Å | |
| C29 | N35 | sing | 1.48Å | 1.45Å | |
| C29 | C30 | sing | 1.53Å | 1.53Å | |
| C36 | N35 | sing | 1.36Å | 1.45Å | |
| C36 | C01 | sing | 1.51Å | 1.53Å | |
| C01 | C38 | sing | 1.53Å | 1.54Å | |
| C38 | C39 | sing | 1.53Å | 1.53Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C39 | C40 | sing | 1.53Å | 1.53Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C41 | C40 | sing | 1.53Å | 1.53Å | |
| C41 | N42 | sing | 1.47Å | 1.45Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | N34 | sing | 1.47Å | 1.45Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C01 | H011 | sing | 1.09Å | 1.10Å | |
| C05 | H052 | sing | 1.09Å | 1.10Å | |
| C05 | H051 | sing | 1.09Å | 1.10Å | |
| C09 | H091 | sing | 1.09Å | 1.10Å | |
| C09 | H092 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C29 | H1 | 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 | H322 | 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 | |
| C38 | H382 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C41 | H411 | sing | 1.09Å | 1.10Å | |
| C41 | H412 | sing | 1.09Å | 1.10Å | |
| N02 | H021 | sing | 0.97Å | 1.00Å | |
| N06 | H061 | sing | 0.97Å | 1.00Å | |
| N10 | H101 | sing | 0.97Å | 1.00Å | |
| N14 | H141 | sing | 0.97Å | 1.00Å | |
| N18 | H181 | sing | 0.97Å | 1.00Å | |
| N20 | H2 | sing | 0.97Å | 1.00Å | |
| N20 | H201 | sing | 0.97Å | 1.00Å | |
| N21 | H211 | sing | 0.97Å | 1.00Å | |
| N26 | H261 | sing | 0.97Å | 1.00Å | |
| N34 | H341 | sing | 1.01Å | 1.00Å | |
| N34 | H342 | sing | 1.01Å | 1.00Å | |
| N35 | H351 | sing | 0.97Å | 1.00Å | |
| N42 | H421 | sing | 1.01Å | 1.00Å | |
| N42 | H4 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N21 | C19 | N18 | 119.0° | 120.0° |
| N21 | C19 | N20 | 118.2° | 120.0° |
| C19 | N21 | H211 | 112.0° | 120.0° |
| O16 | C15 | C17 | 119.0° | 120.5° |
| O16 | C15 | N14 | 119.3° | 120.5° |
| N18 | C19 | N20 | 122.8° | 120.0° |
| C19 | N18 | C17 | 124.2° | 120.0° |
| C19 | N18 | H181 | 117.9° | 120.0° |
| C19 | N20 | H2 | 120.0° | 120.0° |
| C19 | N20 | H201 | 120.0° | 120.0° |
| N18 | C17 | C22 | 107.2° | 109.5° |
| N18 | C17 | C15 | 110.2° | 109.5° |
| N18 | C17 | H171 | 110.1° | 109.5° |
| C17 | N18 | H181 | 117.9° | 120.0° |
| C17 | C22 | C23 | 111.5° | 109.5° |
| C22 | C17 | C15 | 110.9° | 109.4° |
| C22 | C17 | H171 | 109.3° | 109.5° |
| C17 | C22 | H222 | 109.0° | 109.5° |
| C17 | C22 | H221 | 109.0° | 109.4° |
| C22 | C23 | C24 | 107.7° | 109.4° |
| C23 | C22 | H222 | 108.9° | 109.5° |
| C23 | C22 | H221 | 109.0° | 109.4° |
| C22 | C23 | H231 | 109.9° | 109.5° |
| C22 | C23 | H232 | 109.9° | 109.5° |
| C17 | C15 | N14 | 121.6° | 119.1° |
| C15 | C17 | H171 | 109.2° | 109.4° |
| C15 | N14 | C13 | 118.7° | 116.5° |
| C15 | N14 | H141 | 120.6° | 121.7° |
| O12 | C11 | C13 | 120.8° | 120.7° |
| O12 | C11 | N10 | 120.4° | 120.6° |
| N14 | C13 | C11 | 102.2° | 108.8° |
| N14 | C13 | H131 | 111.2° | 109.5° |
| N14 | C13 | H132 | 111.3° | 109.6° |
| C13 | N14 | H141 | 120.6° | 121.7° |
| C13 | C11 | N10 | 118.7° | 118.7° |
| C11 | C13 | H131 | 111.3° | 109.6° |
| C11 | C13 | H132 | 111.2° | 109.6° |
| C23 | C24 | C25 | 110.2° | 109.5° |
| C23 | C24 | H241 | 109.3° | 109.5° |
| C23 | C24 | H242 | 109.3° | 109.5° |
| C24 | C23 | H231 | 109.9° | 109.5° |
| C24 | C23 | H232 | 109.9° | 109.5° |
| C24 | C25 | N26 | 109.6° | 108.6° |
| C25 | C24 | H241 | 109.3° | 109.5° |
| C25 | C24 | H242 | 109.3° | 109.5° |
| C24 | C25 | H252 | 109.5° | 109.6° |
| C24 | C25 | H251 | 109.5° | 109.6° |
| C11 | N10 | C09 | 121.4° | 115.2° |
| C11 | N10 | H101 | 119.3° | 122.4° |
| C25 | N26 | C27 | 120.3° | 115.2° |
| N26 | C25 | H252 | 109.4° | 109.7° |
| N26 | C25 | H251 | 109.4° | 109.6° |
| C25 | N26 | H261 | 119.8° | 122.3° |
| N10 | C09 | C07 | 104.4° | 108.7° |
| N10 | C09 | H091 | 110.7° | 109.6° |
| N10 | C09 | H092 | 110.7° | 109.6° |
| C09 | N10 | H101 | 119.3° | 122.3° |
| C09 | C07 | N06 | 118.4° | 119.0° |
| C09 | C07 | O08 | 121.0° | 120.5° |
| C07 | C09 | H091 | 110.8° | 109.6° |
| C07 | C09 | H092 | 110.7° | 109.6° |
| C07 | N06 | C05 | 122.7° | 116.5° |
| N06 | C07 | O08 | 120.6° | 120.5° |
| C07 | N06 | H061 | 118.7° | 121.7° |
| N06 | C05 | C03 | 108.4° | 108.9° |
| N06 | C05 | H052 | 109.8° | 109.6° |
| N06 | C05 | H051 | 109.8° | 109.5° |
| C05 | N06 | H061 | 118.7° | 121.7° |
| N26 | C27 | O28 | 120.8° | 120.7° |
| N26 | C27 | C29 | 119.5° | 118.7° |
| C27 | N26 | H261 | 119.9° | 122.4° |
| C05 | C03 | N02 | 121.1° | 118.6° |
| C05 | C03 | O04 | 117.9° | 120.7° |
| C03 | C05 | H052 | 109.7° | 109.5° |
| C03 | C05 | H051 | 109.7° | 109.5° |
| O28 | C27 | C29 | 119.7° | 120.6° |
| C27 | C29 | N35 | 112.1° | 108.9° |
| C27 | C29 | C30 | 112.7° | 109.6° |
| C27 | C29 | H1 | 107.3° | 109.5° |
| N02 | C03 | O04 | 121.0° | 120.7° |
| C03 | N02 | C01 | 117.4° | 115.2° |
| C03 | N02 | H021 | 121.3° | 122.4° |
| N02 | C01 | C36 | 115.2° | 108.6° |
| N02 | C01 | C38 | 111.1° | 109.6° |
| N02 | C01 | H011 | 109.2° | 109.8° |
| C01 | N02 | H021 | 121.3° | 122.4° |
| O37 | C36 | N35 | 120.1° | 120.4° |
| O37 | C36 | C01 | 120.3° | 120.5° |
| N35 | C29 | C30 | 109.0° | 109.6° |
| C29 | N35 | C36 | 119.8° | 116.5° |
| N35 | C29 | H1 | 108.2° | 109.6° |
| C29 | N35 | H351 | 120.1° | 121.7° |
| C29 | C30 | C31 | 110.9° | 109.5° |
| C30 | C29 | H1 | 107.2° | 109.7° |
| C29 | C30 | H302 | 109.1° | 109.5° |
| C29 | C30 | H301 | 109.1° | 109.5° |
| N35 | C36 | C01 | 119.6° | 119.1° |
| C36 | N35 | H351 | 120.2° | 121.8° |
| C36 | C01 | C38 | 105.0° | 109.6° |
| C36 | C01 | H011 | 108.1° | 109.6° |
| C01 | C38 | C39 | 110.9° | 109.5° |
| C38 | C01 | H011 | 108.0° | 109.6° |
| C01 | C38 | H382 | 109.1° | 109.4° |
| C01 | C38 | H381 | 109.1° | 109.5° |
| C38 | C39 | C40 | 110.3° | 109.5° |
| C39 | C38 | H382 | 109.1° | 109.5° |
| C39 | C38 | H381 | 109.1° | 109.5° |
| C38 | C39 | H392 | 109.3° | 109.5° |
| C38 | C39 | H391 | 109.3° | 109.5° |
| C30 | C31 | C32 | 109.5° | 109.5° |
| C31 | C30 | H302 | 109.1° | 109.5° |
| C31 | C30 | H301 | 109.1° | 109.4° |
| C30 | C31 | H311 | 109.5° | 109.5° |
| C30 | C31 | H312 | 109.5° | 109.5° |
| C39 | C40 | C41 | 109.8° | 109.5° |
| C40 | C39 | H392 | 109.3° | 109.5° |
| C40 | C39 | H391 | 109.3° | 109.5° |
| C39 | C40 | H401 | 109.4° | 109.5° |
| C39 | C40 | H402 | 109.4° | 109.5° |
| C31 | C32 | C33 | 110.1° | 109.5° |
| C32 | C31 | H311 | 109.5° | 109.5° |
| C32 | C31 | H312 | 109.5° | 109.5° |
| C31 | C32 | H322 | 109.3° | 109.4° |
| C31 | C32 | H321 | 109.3° | 109.5° |
| C40 | C41 | N42 | 109.1° | 109.5° |
| C41 | C40 | H401 | 109.3° | 109.5° |
| C41 | C40 | H402 | 109.4° | 109.5° |
| C40 | C41 | H411 | 109.6° | 109.5° |
| C40 | C41 | H412 | 109.6° | 109.5° |
| N42 | C41 | H411 | 109.6° | 109.4° |
| N42 | C41 | H412 | 109.6° | 109.5° |
| C41 | N42 | H421 | 109.5° | 111.0° |
| C41 | N42 | H4 | 109.4° | 111.0° |
| C32 | C33 | N34 | 109.7° | 109.5° |
| C33 | C32 | H322 | 109.3° | 109.4° |
| C33 | C32 | H321 | 109.3° | 109.5° |
| C32 | C33 | H331 | 109.4° | 109.4° |
| C32 | C33 | H332 | 109.4° | 109.4° |
| N34 | C33 | H331 | 109.4° | 109.5° |
| N34 | C33 | H332 | 109.4° | 109.5° |
| C33 | N34 | H341 | 109.5° | 111.0° |
| C33 | N34 | H342 | 109.5° | 111.0° |
| H131 | C13 | H132 | 109.5° | 109.7° |
| H222 | C22 | H221 | 109.5° | 109.5° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H052 | C05 | H051 | 109.5° | 109.7° |
| H091 | C09 | H092 | 109.5° | 109.7° |
| H231 | C23 | H232 | 109.4° | 109.5° |
| H252 | C25 | H251 | 109.4° | 109.7° |
| H302 | C30 | H301 | 109.4° | 109.5° |
| H311 | C31 | H312 | 109.4° | 109.4° |
| H322 | C32 | H321 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| H382 | C38 | H381 | 109.5° | 109.5° |
| H392 | C39 | H391 | 109.5° | 109.4° |
| H401 | C40 | H402 | 109.5° | 109.4° |
| H411 | C41 | H412 | 109.5° | 109.5° |
| H2 | N20 | H201 | 120.0° | 120.0° |
| H341 | N34 | H342 | 109.4° | 111.0° |
| H421 | N42 | H4 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N21 | C19 | N18 | N20 | 179.9° | 179.9° |
| N21 | C19 | N18 | C17 | 179.5° | 0.0° |
| N21 | C19 | N18 | H181 | 0.5° | 180.0° |
| N21 | C19 | N20 | H2 | 179.9° | 180.0° |
| N21 | C19 | N20 | H201 | 0.1° | 0.1° |
| O16 | C15 | C17 | N18 | 5.8° | 130.3° |
| O16 | C15 | C17 | C22 | 112.6° | 10.3° |
| O16 | C15 | C17 | N14 | 178.7° | 179.9° |
| O16 | C15 | N14 | C13 | 1.0° | 0.1° |
| O16 | C15 | C17 | H171 | 126.9° | 109.7° |
| O16 | C15 | N14 | H141 | 179.0° | 179.9° |
| C19 | N18 | C17 | H181 | 180.0° | 180.0° |
| C19 | N18 | C17 | C22 | 177.3° | 155.0° |
| C19 | N18 | C17 | C15 | 56.5° | 85.0° |
| C19 | N18 | C17 | H171 | 64.0° | 35.0° |
| N18 | C19 | N20 | H2 | 0.0° | 0.0° |
| N18 | C19 | N20 | H201 | 180.0° | 180.0° |
| N18 | C19 | N21 | H211 | 179.9° | 180.0° |
| N20 | C19 | N18 | C17 | 0.6° | 180.0° |
| N20 | C19 | N18 | H181 | 179.4° | 0.0° |
| C19 | N20 | H2 | H201 | 180.0° | 180.0° |
| N20 | C19 | N21 | H211 | 0.0° | 0.0° |
| N18 | C17 | C22 | C15 | 120.3° | 120.0° |
| N18 | C17 | C22 | H171 | 119.3° | 120.0° |
| N18 | C17 | C22 | C23 | 155.1° | 123.9° |
| N18 | C17 | C15 | H171 | 121.0° | 120.0° |
| N18 | C17 | C15 | N14 | 172.9° | 49.6° |
| N18 | C17 | C22 | H222 | 84.6° | 116.0° |
| N18 | C17 | C22 | H221 | 34.8° | 4.0° |
| C17 | C22 | C23 | H222 | 120.3° | 120.0° |
| C17 | C22 | C23 | H221 | 120.3° | 119.9° |
| C22 | C17 | C15 | H171 | 120.5° | 120.0° |
| C22 | C17 | C15 | N14 | 68.7° | 169.7° |
| C17 | C22 | C23 | C24 | 174.3° | 131.1° |
| C17 | C22 | H222 | H221 | 119.1° | 120.0° |
| C17 | C22 | C23 | H231 | 66.0° | 108.8° |
| C17 | C22 | C23 | H232 | 54.6° | 11.2° |
| C22 | C17 | N18 | H181 | 2.7° | 25.0° |
| C23 | C22 | C17 | C15 | 84.6° | 116.1° |
| C22 | C23 | C24 | H231 | 119.8° | 120.0° |
| C22 | C23 | C24 | H232 | 119.7° | 120.0° |
| C22 | C23 | C24 | C25 | 175.3° | 160.5° |
| C23 | C22 | C17 | H171 | 35.9° | 3.9° |
| C23 | C22 | H222 | H221 | 119.1° | 120.0° |
| C22 | C23 | C24 | H241 | 55.1° | 40.4° |
| C22 | C23 | C24 | H242 | 64.6° | 79.5° |
| C22 | C23 | H231 | H232 | 120.8° | 120.0° |
| C17 | C15 | N14 | C13 | 177.7° | 180.0° |
| C15 | C17 | C22 | H222 | 35.7° | 4.0° |
| C15 | C17 | C22 | H221 | 155.1° | 124.0° |
| C17 | C15 | N14 | H141 | 2.3° | 0.0° |
| C15 | C17 | N18 | H181 | 123.5° | 95.0° |
| C15 | N14 | C13 | H141 | 180.0° | 180.0° |
| C15 | N14 | C13 | C11 | 63.7° | 107.2° |
| C15 | N14 | C13 | H131 | 55.1° | 12.6° |
| C15 | N14 | C13 | H132 | 177.5° | 133.0° |
| N14 | C15 | C17 | H171 | 51.8° | 70.3° |
| O12 | C11 | C13 | N14 | 99.9° | 0.3° |
| O12 | C11 | C13 | N10 | 177.7° | 180.0° |
| O12 | C11 | N10 | C09 | 0.6° | 0.2° |
| O12 | C11 | C13 | H131 | 18.9° | 120.1° |
| O12 | C11 | C13 | H132 | 141.3° | 119.5° |
| O12 | C11 | N10 | H101 | 179.4° | 179.7° |
| N14 | C13 | C11 | H131 | 118.8° | 119.8° |
| N14 | C13 | C11 | H132 | 118.8° | 119.8° |
| N14 | C13 | C11 | N10 | 77.8° | 179.7° |
| N14 | C13 | H131 | H132 | 123.4° | 120.3° |
| C13 | C11 | N10 | C09 | 177.1° | 179.8° |
| C11 | C13 | H131 | H132 | 123.4° | 120.4° |
| C13 | C11 | N10 | H101 | 2.9° | 0.3° |
| C11 | C13 | N14 | H141 | 116.3° | 72.8° |
| C23 | C24 | C25 | H241 | 120.1° | 120.0° |
| C23 | C24 | C25 | H242 | 120.1° | 120.0° |
| C23 | C24 | C25 | N26 | 49.3° | 145.8° |
| C24 | C23 | C22 | H222 | 54.0° | 11.1° |
| C24 | C23 | C22 | H221 | 65.4° | 108.9° |
| C23 | C24 | H241 | H242 | 119.7° | 120.0° |
| C24 | C23 | H231 | H232 | 120.8° | 120.0° |
| C23 | C24 | C25 | H252 | 70.7° | 94.4° |
| C23 | C24 | C25 | H251 | 169.3° | 26.0° |
| C24 | C25 | N26 | H252 | 120.0° | 119.8° |
| C24 | C25 | N26 | H251 | 120.0° | 119.7° |
| C24 | C25 | N26 | C27 | 114.0° | 135.0° |
| C25 | C24 | H241 | H242 | 119.7° | 120.0° |
| C25 | C24 | C23 | H231 | 65.0° | 79.5° |
| C25 | C24 | C23 | H232 | 55.5° | 40.5° |
| C24 | C25 | H252 | H251 | 120.0° | 120.4° |
| C24 | C25 | N26 | H261 | 66.0° | 45.0° |
| C11 | N10 | C09 | H101 | 180.0° | 179.9° |
| C11 | N10 | C09 | C07 | 104.8° | 101.5° |
| N10 | C11 | C13 | H131 | 163.3° | 59.9° |
| N10 | C11 | C13 | H132 | 41.0° | 60.5° |
| C11 | N10 | C09 | H091 | 14.4° | 138.8° |
| C11 | N10 | C09 | H092 | 136.0° | 18.3° |
| C25 | N26 | C27 | H261 | 180.0° | 180.0° |
| C25 | N26 | C27 | O28 | 0.5° | 0.1° |
| C25 | N26 | C27 | C29 | 180.0° | 179.9° |
| N26 | C25 | C24 | H241 | 169.4° | 25.8° |
| N26 | C25 | C24 | H242 | 70.8° | 94.2° |
| N26 | C25 | H252 | H251 | 119.9° | 120.5° |
| N10 | C09 | C07 | H091 | 119.2° | 119.7° |
| N10 | C09 | C07 | H092 | 119.2° | 119.8° |
| N10 | C09 | C07 | N06 | 12.4° | 154.6° |
| N10 | C09 | C07 | O08 | 167.0° | 25.5° |
| N10 | C09 | H091 | H092 | 122.4° | 120.4° |
| C09 | C07 | N06 | O08 | 179.4° | 179.9° |
| C09 | C07 | N06 | C05 | 179.8° | 179.5° |
| C07 | C09 | H091 | H092 | 122.4° | 120.4° |
| C09 | C07 | N06 | H061 | 0.2° | 0.6° |
| C07 | C09 | N10 | H101 | 75.2° | 78.5° |
| C07 | N06 | C05 | H061 | 180.0° | 179.9° |
| C07 | N06 | C05 | C03 | 106.2° | 110.2° |
| C07 | N06 | C05 | H052 | 134.0° | 9.7° |
| C07 | N06 | C05 | H051 | 13.7° | 130.0° |
| N06 | C07 | C09 | H091 | 106.8° | 85.7° |
| N06 | C07 | C09 | H092 | 131.6° | 34.8° |
| C05 | N06 | C07 | O08 | 0.4° | 0.4° |
| N06 | C05 | C03 | H052 | 119.9° | 119.9° |
| N06 | C05 | C03 | H051 | 119.8° | 119.8° |
| N06 | C05 | C03 | N02 | 143.4° | 162.6° |
| N06 | C05 | C03 | O04 | 36.2° | 17.3° |
| N06 | C05 | H052 | H051 | 120.5° | 120.3° |
| O08 | C07 | C09 | H091 | 73.8° | 94.2° |
| O08 | C07 | C09 | H092 | 47.8° | 145.3° |
| O08 | C07 | N06 | H061 | 179.6° | 179.5° |
| N26 | C27 | O28 | C29 | 179.5° | 180.0° |
| N26 | C27 | C29 | N35 | 108.0° | 159.1° |
| N26 | C27 | C29 | C30 | 128.6° | 39.2° |
| C27 | N26 | C25 | H252 | 6.0° | 105.2° |
| C27 | N26 | C25 | H251 | 125.9° | 15.3° |
| N26 | C27 | C29 | H1 | 10.8° | 81.1° |
| C05 | C03 | N02 | O04 | 179.6° | 180.0° |
| C05 | C03 | N02 | C01 | 179.3° | 180.0° |
| C03 | C05 | H052 | H051 | 120.5° | 120.2° |
| C05 | C03 | N02 | H021 | 0.6° | 0.0° |
| C03 | C05 | N06 | H061 | 73.8° | 69.8° |
| O28 | C27 | C29 | N35 | 72.5° | 20.9° |
| O28 | C27 | C29 | C30 | 51.0° | 140.7° |
| O28 | C27 | C29 | H1 | 168.8° | 98.9° |
| O28 | C27 | N26 | H261 | 179.5° | 179.9° |
| C27 | C29 | N35 | C30 | 125.5° | 119.8° |
| C27 | C29 | N35 | H1 | 118.2° | 119.8° |
| C27 | C29 | C30 | H1 | 117.9° | 120.3° |
| C27 | C29 | N35 | C36 | 115.2° | 121.9° |
| C27 | C29 | C30 | C31 | 174.0° | 50.2° |
| C27 | C29 | C30 | H302 | 53.8° | 69.8° |
| C27 | C29 | C30 | H301 | 65.8° | 170.1° |
| C29 | C27 | N26 | H261 | 0.0° | 0.0° |
| C27 | C29 | N35 | H351 | 64.8° | 58.1° |
| C03 | N02 | C01 | H021 | 180.0° | 179.9° |
| C03 | N02 | C01 | C36 | 112.5° | 103.3° |
| C03 | N02 | C01 | C38 | 128.3° | 16.4° |
| C03 | N02 | C01 | H011 | 9.3° | 136.9° |
| N02 | C03 | C05 | H052 | 23.6° | 42.8° |
| N02 | C03 | C05 | H051 | 96.7° | 77.6° |
| O04 | C03 | N02 | C01 | 1.1° | 0.0° |
| O04 | C03 | C05 | H052 | 156.0° | 137.2° |
| O04 | C03 | C05 | H051 | 83.7° | 102.5° |
| O04 | C03 | N02 | H021 | 179.0° | 179.9° |
| N02 | C01 | C36 | O37 | 90.1° | 21.4° |
| N02 | C01 | C36 | N35 | 91.8° | 158.6° |
| N02 | C01 | C36 | C38 | 122.6° | 119.7° |
| N02 | C01 | C36 | H011 | 122.4° | 119.9° |
| N02 | C01 | C38 | H011 | 119.6° | 120.5° |
| N02 | C01 | C38 | C39 | 70.2° | 58.1° |
| N02 | C01 | C38 | H382 | 169.5° | 178.1° |
| N02 | C01 | C38 | H381 | 50.0° | 61.9° |
| O37 | C36 | N35 | C29 | 0.5° | 0.1° |
| O37 | C36 | N35 | C01 | 178.0° | 180.0° |
| O37 | C36 | C01 | C38 | 32.4° | 141.2° |
| O37 | C36 | C01 | H011 | 147.5° | 98.5° |
| O37 | C36 | N35 | H351 | 179.5° | 179.9° |
| N35 | C29 | C30 | H1 | 117.0° | 120.3° |
| C29 | N35 | C36 | H351 | 180.0° | 180.0° |
| C29 | N35 | C36 | C01 | 177.5° | 179.9° |
| N35 | C29 | C30 | C31 | 48.8° | 69.2° |
| N35 | C29 | C30 | H302 | 71.4° | 170.8° |
| N35 | C29 | C30 | H301 | 169.0° | 50.7° |
| C30 | C29 | N35 | C36 | 119.3° | 2.1° |
| C29 | C30 | C31 | H302 | 120.2° | 120.0° |
| C29 | C30 | C31 | H301 | 120.2° | 120.0° |
| C29 | C30 | C31 | C32 | 79.6° | 173.7° |
| C29 | C30 | H302 | H301 | 119.3° | 120.0° |
| C29 | C30 | C31 | H311 | 40.5° | 53.7° |
| C29 | C30 | C31 | H312 | 160.4° | 66.3° |
| C30 | C29 | N35 | H351 | 60.7° | 178.0° |
| N35 | C36 | C01 | C38 | 145.6° | 38.9° |
| N35 | C36 | C01 | H011 | 30.5° | 81.5° |
| C36 | N35 | C29 | H1 | 3.0° | 118.3° |
| C36 | C01 | C38 | H011 | 115.2° | 120.4° |
| C36 | C01 | C38 | C39 | 164.6° | 177.2° |
| C36 | C01 | C38 | H382 | 44.3° | 62.8° |
| C36 | C01 | C38 | H381 | 75.2° | 57.2° |
| C36 | C01 | N02 | H021 | 67.6° | 76.7° |
| C01 | C36 | N35 | H351 | 2.5° | 0.1° |
| C01 | C38 | C39 | H382 | 120.2° | 120.0° |
| C01 | C38 | C39 | H381 | 120.2° | 120.0° |
| C01 | C38 | C39 | C40 | 146.7° | 180.0° |
| C01 | C38 | H382 | H381 | 119.3° | 119.9° |
| C01 | C38 | C39 | H392 | 93.2° | 60.0° |
| C01 | C38 | C39 | H391 | 26.6° | 60.0° |
| C38 | C01 | N02 | H021 | 51.7° | 163.6° |
| C38 | C39 | C40 | H392 | 120.1° | 120.0° |
| C38 | C39 | C40 | H391 | 120.1° | 120.0° |
| C38 | C39 | C40 | C41 | 107.3° | NaN° |
| C39 | C38 | C01 | H011 | 49.4° | 62.4° |
| C39 | C38 | H382 | H381 | 119.4° | 120.1° |
| C38 | C39 | H392 | H391 | 119.6° | 120.0° |
| C38 | C39 | C40 | H401 | 132.6° | 60.0° |
| C38 | C39 | C40 | H402 | 12.7° | 60.0° |
| C30 | C31 | C32 | H311 | 120.0° | 120.0° |
| C30 | C31 | C32 | H312 | 120.0° | 120.0° |
| C30 | C31 | C32 | C33 | 163.6° | 180.0° |
| C31 | C30 | C29 | H1 | 68.1° | 170.4° |
| C31 | C30 | H302 | H301 | 119.4° | 120.0° |
| C30 | C31 | H311 | H312 | 120.0° | 120.0° |
| C30 | C31 | C32 | H322 | 76.3° | 60.0° |
| C30 | C31 | C32 | H321 | 43.5° | 60.0° |
| C39 | C40 | C41 | H401 | 120.1° | 120.0° |
| C39 | C40 | C41 | H402 | 120.1° | 120.0° |
| C39 | C40 | C41 | N42 | 165.2° | 180.0° |
| C40 | C39 | C38 | H382 | 26.5° | 60.0° |
| C40 | C39 | C38 | H381 | 93.1° | 60.0° |
| C40 | C39 | H392 | H391 | 119.6° | 120.0° |
| C39 | C40 | H401 | H402 | 119.9° | 120.0° |
| C39 | C40 | C41 | H411 | 74.9° | 60.0° |
| C39 | C40 | C41 | H412 | 45.2° | 60.0° |
| C31 | C32 | C33 | H322 | 120.1° | 119.9° |
| C31 | C32 | C33 | H321 | 120.1° | 120.0° |
| C31 | C32 | C33 | N34 | 92.7° | 180.0° |
| C32 | C31 | C30 | H302 | 160.2° | 66.3° |
| C32 | C31 | C30 | H301 | 40.6° | 53.7° |
| C32 | C31 | H311 | H312 | 120.0° | 120.0° |
| C31 | C32 | H322 | H321 | 119.7° | 120.0° |
| C31 | C32 | C33 | H331 | 147.3° | 60.0° |
| C31 | C32 | C33 | H332 | 27.4° | 59.9° |
| C40 | C41 | N42 | H411 | 119.9° | 120.0° |
| C40 | C41 | N42 | H412 | 120.0° | 120.0° |
| C41 | C40 | C39 | H392 | 12.8° | 60.0° |
| C41 | C40 | C39 | H391 | 132.6° | 60.0° |
| C41 | C40 | H401 | H402 | 119.8° | 120.0° |
| C40 | C41 | H411 | H412 | 120.2° | 120.1° |
| C40 | C41 | N42 | H421 | 180.0° | 56.0° |
| C40 | C41 | N42 | H4 | 60.0° | 180.0° |
| N42 | C41 | C40 | H401 | 45.1° | 60.0° |
| N42 | C41 | C40 | H402 | 74.7° | 60.0° |
| N42 | C41 | H411 | H412 | 120.2° | 119.9° |
| C41 | N42 | H421 | H4 | 120.0° | 124.0° |
| C32 | C33 | N34 | H331 | 120.0° | 119.9° |
| C32 | C33 | N34 | H332 | 120.0° | 120.0° |
| C33 | C32 | C31 | H311 | 43.6° | 60.0° |
| C33 | C32 | C31 | H312 | 76.4° | 60.0° |
| C33 | C32 | H322 | H321 | 119.7° | 120.0° |
| C32 | C33 | H331 | H332 | 119.9° | 119.9° |
| C32 | C33 | N34 | H341 | 180.0° | 180.0° |
| C32 | C33 | N34 | H342 | 60.0° | 56.1° |
| N34 | C33 | C32 | H322 | 27.4° | 60.1° |
| N34 | C33 | C32 | H321 | 147.2° | 60.0° |
| N34 | C33 | H331 | H332 | 119.9° | 120.1° |
| C33 | N34 | H341 | H342 | 120.0° | 123.9° |
| H131 | C13 | N14 | H141 | 124.9° | 167.4° |
| H132 | C13 | N14 | H141 | 2.5° | 47.0° |
| H171 | C17 | C22 | H222 | 156.1° | 124.0° |
| H171 | C17 | C22 | H221 | 84.5° | 116.0° |
| H171 | C17 | N18 | H181 | 116.0° | 145.0° |
| H222 | C22 | C23 | H231 | 173.8° | 131.1° |
| H222 | C22 | C23 | H232 | 65.7° | 108.9° |
| H221 | C22 | C23 | H231 | 54.4° | 11.1° |
| H221 | C22 | C23 | H232 | 174.9° | 131.1° |
| H241 | C24 | C23 | H231 | 174.9° | 160.5° |
| H241 | C24 | C23 | H232 | 64.6° | 79.5° |
| H241 | C24 | C25 | H252 | 49.4° | 145.6° |
| H241 | C24 | C25 | H251 | 70.6° | 94.0° |
| H242 | C24 | C23 | H231 | 55.1° | 40.5° |
| H242 | C24 | C23 | H232 | 175.6° | 160.5° |
| H242 | C24 | C25 | H252 | 169.1° | 25.6° |
| H242 | C24 | C25 | H251 | 49.2° | 146.0° |
| H011 | C01 | C38 | H382 | 70.8° | 57.6° |
| H011 | C01 | C38 | H381 | 169.6° | 177.6° |
| H011 | C01 | N02 | H021 | 170.6° | 43.2° |
| H052 | C05 | N06 | H061 | 46.0° | 170.4° |
| H051 | C05 | N06 | H061 | 166.3° | 50.0° |
| H091 | C09 | N10 | H101 | 165.6° | 41.3° |
| H092 | C09 | N10 | H101 | 44.0° | 161.8° |
| H252 | C25 | N26 | H261 | 174.0° | 74.7° |
| H251 | C25 | N26 | H261 | 54.0° | 164.8° |
| H1 | C29 | C30 | H302 | 171.6° | 50.4° |
| H1 | C29 | C30 | H301 | 52.1° | 69.6° |
| H1 | C29 | N35 | H351 | 177.0° | 61.7° |
| H302 | C30 | C31 | H311 | 79.8° | 173.7° |
| H302 | C30 | C31 | H312 | 40.2° | 53.8° |
| H301 | C30 | C31 | H311 | 160.7° | 66.3° |
| H301 | C30 | C31 | H312 | 79.4° | 173.8° |
| H311 | C31 | C32 | H322 | 163.6° | 179.9° |
| H311 | C31 | C32 | H321 | 76.6° | 60.0° |
| H312 | C31 | C32 | H322 | 43.7° | 60.0° |
| H312 | C31 | C32 | H321 | 163.5° | 180.0° |
| H322 | C32 | C33 | H331 | 92.6° | 179.9° |
| H322 | C32 | C33 | H332 | 147.5° | 60.0° |
| H321 | C32 | C33 | H331 | 27.2° | 60.0° |
| H321 | C32 | C33 | H332 | 92.7° | 180.0° |
| H331 | C33 | N34 | H341 | 60.0° | 60.1° |
| H331 | C33 | N34 | H342 | 180.0° | 176.0° |
| H332 | C33 | N34 | H341 | 60.0° | 60.0° |
| H332 | C33 | N34 | H342 | 60.0° | 63.9° |
| H382 | C38 | C39 | H392 | 146.7° | 180.0° |
| H382 | C38 | C39 | H391 | 93.6° | 60.0° |
| H381 | C38 | C39 | H392 | 27.1° | 60.0° |
| H381 | C38 | C39 | H391 | 146.8° | 180.0° |
| H392 | C39 | C40 | H401 | 107.2° | 180.0° |
| H392 | C39 | C40 | H402 | 132.9° | 60.0° |
| H391 | C39 | C40 | H401 | 12.5° | 60.0° |
| H391 | C39 | C40 | H402 | 107.4° | 180.0° |
| H401 | C40 | C41 | H411 | 165.0° | 180.0° |
| H401 | C40 | C41 | H412 | 74.8° | 60.0° |
| H402 | C40 | C41 | H411 | 45.2° | 60.0° |
| H402 | C40 | C41 | H412 | 165.3° | 180.0° |
| H411 | C41 | N42 | H421 | 60.1° | 64.0° |
| H411 | C41 | N42 | H4 | 179.9° | 60.0° |
| H412 | C41 | N42 | H421 | 60.1° | 176.1° |
| H412 | C41 | N42 | H4 | 60.0° | 59.9° |
