GCR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C10 | sing | 1.53Å | 1.53Å | |
| C1 | N7 | sing | 1.31Å | 1.31Å | |
| C1 | O1 | doub | 1.22Å | 1.22Å | |
| C2 | C11 | sing | 1.52Å | 1.52Å | |
| C2 | N9 | sing | 1.35Å | 1.35Å | |
| C2 | O2 | doub | 1.23Å | 1.23Å | |
| C3 | C36 | sing | 2.05Å | 2.05Å | |
| C3 | N5 | sing | 1.39Å | 1.39Å | |
| C3 | O3 | doub | 2.57Å | 2.57Å | |
| C4 | C13 | sing | 1.53Å | 1.53Å | |
| C4 | N1 | sing | 1.34Å | 1.34Å | |
| C4 | O4 | doub | 1.23Å | 1.23Å | |
| C5 | C14 | sing | 1.50Å | 1.50Å | |
| C5 | N2 | sing | 1.34Å | 1.34Å | |
| C5 | O5 | doub | 1.24Å | 1.24Å | |
| C6 | C35 | sing | 1.54Å | 1.54Å | |
| C6 | N6 | sing | 1.35Å | 1.35Å | |
| C6 | O6 | doub | 1.29Å | 1.29Å | |
| C7 | C16 | sing | 1.54Å | 1.54Å | |
| C7 | N3 | sing | 1.35Å | 1.35Å | |
| C7 | O7 | doub | 1.24Å | 1.24Å | |
| C8 | C17 | sing | 1.53Å | 1.53Å | |
| C8 | N4 | sing | 1.34Å | 1.34Å | |
| C8 | O17 | doub | 1.23Å | 1.23Å | |
| C9 | C37 | sing | 1.54Å | 1.54Å | |
| C9 | N8 | sing | 1.36Å | 1.36Å | |
| C9 | O8 | doub | 1.29Å | 1.29Å | |
| C10 | C18 | sing | 1.53Å | 1.53Å | |
| C10 | N1 | sing | 1.48Å | 1.48Å | |
| C10 | H10 | sing | 1.10Å | 1.10Å | |
| C11 | C38 | sing | 41.94Å | 41.94Å | |
| C11 | N2 | sing | 1.46Å | 1.46Å | |
| C11 | H11 | sing | 1.10Å | 1.10Å | |
| C13 | C21 | sing | 1.54Å | 1.54Å | |
| C13 | N3 | sing | 1.48Å | 1.48Å | |
| C13 | H13 | sing | 1.10Å | 1.10Å | |
| C14 | N7 | sing | 1.45Å | 1.45Å | |
| C14 | H141 | sing | 1.10Å | 1.10Å | |
| C14 | H142 | sing | 1.10Å | 1.10Å | |
| C16 | C24 | sing | 1.53Å | 1.53Å | |
| C16 | N4 | sing | 1.47Å | 1.47Å | |
| C16 | H16 | sing | 1.10Å | 1.10Å | |
| C17 | N9 | sing | 1.46Å | 1.46Å | |
| C17 | H171 | sing | 1.10Å | 1.10Å | |
| C17 | H172 | sing | 1.10Å | 1.10Å | |
| C18 | C25 | sing | 1.51Å | 1.51Å | |
| C18 | H181 | sing | 1.10Å | 1.10Å | |
| C18 | H182 | sing | 1.10Å | 1.10Å | |
| C21 | C27 | sing | 1.55Å | 1.55Å | |
| C21 | H211 | sing | 1.10Å | 1.10Å | |
| C21 | H212 | sing | 1.10Å | 1.10Å | |
| C24 | C29 | sing | 1.53Å | 1.53Å | |
| C24 | H241 | sing | 1.10Å | 1.10Å | |
| C24 | H242 | sing | 1.10Å | 1.10Å | |
| C25 | C30 | sing | 1.53Å | 1.53Å | |
| C25 | H251 | sing | 1.10Å | 1.10Å | |
| C25 | H252 | sing | 1.10Å | 1.10Å | |
| C27 | C32 | sing | 1.56Å | 1.56Å | |
| C27 | H271 | sing | 1.10Å | 1.10Å | |
| C27 | H272 | sing | 1.10Å | 1.10Å | |
| C29 | C34 | sing | 1.53Å | 1.53Å | |
| C29 | H291 | sing | 1.10Å | 1.10Å | |
| C29 | H292 | sing | 1.10Å | 1.10Å | |
| C30 | N5 | sing | 1.48Å | 1.48Å | |
| C30 | H301 | sing | 1.10Å | 1.10Å | |
| C30 | H302 | sing | 1.10Å | 1.10Å | |
| C32 | N6 | sing | 1.48Å | 1.48Å | |
| C32 | H321 | sing | 1.10Å | 1.10Å | |
| C32 | H322 | sing | 1.10Å | 1.10Å | |
| C34 | N8 | sing | 1.47Å | 1.47Å | |
| C34 | H341 | sing | 1.10Å | 1.10Å | |
| C34 | H342 | sing | 1.10Å | 1.10Å | |
| C35 | H351 | sing | 1.10Å | 1.10Å | |
| C35 | H352 | sing | 1.10Å | 1.10Å | |
| C35 | H353 | sing | 1.10Å | 1.10Å | |
| C36 | H361 | sing | 1.10Å | 1.10Å | |
| C36 | H362 | sing | 1.10Å | 1.10Å | |
| C36 | H363 | sing | 1.10Å | 1.10Å | |
| C37 | H371 | sing | 1.10Å | 1.10Å | |
| C37 | H372 | sing | 1.10Å | 1.10Å | |
| C37 | H373 | sing | 1.10Å | 1.10Å | |
| C38 | O18 | sing | 0.00Å | 0.00Å | |
| C38 | H381 | sing | 0.00Å | 0.00Å | |
| C38 | H382 | sing | 0.00Å | 0.00Å | |
| GA | O3 | sing | 2.40Å | 2.40Å | |
| GA | O6 | sing | 5.28Å | 5.28Å | |
| GA | O8 | sing | 5.04Å | 5.04Å | |
| GA | O10 | sing | 1.53Å | 1.53Å | |
| GA | O11 | sing | 6.39Å | 6.39Å | |
| GA | O14 | sing | 4.73Å | 4.73Å | |
| N1 | HN1 | sing | 1.00Å | 1.00Å | |
| N2 | HN2 | sing | 1.00Å | 1.00Å | |
| N3 | HN3 | sing | 1.00Å | 1.00Å | |
| N4 | HN4 | sing | 1.00Å | 1.00Å | |
| N5 | O10 | sing | 1.36Å | 1.36Å | |
| N6 | O11 | sing | 1.39Å | 1.39Å | |
| N7 | HN7 | sing | 1.00Å | 1.00Å | |
| N8 | O14 | sing | 1.37Å | 1.37Å | |
| N9 | HN9 | sing | 1.00Å | 1.00Å | |
| O18 | H18 | sing | 0.00Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C1 | N7 | 116.7° | 116.7° |
| C10 | C1 | O1 | 121.0° | 121.0° |
| C1 | C10 | C18 | 111.4° | 111.4° |
| C1 | C10 | N1 | 111.0° | 111.0° |
| C1 | C10 | H10 | 106.9° | 106.9° |
| N7 | C1 | O1 | 122.3° | 122.3° |
| C1 | N7 | C14 | 122.0° | 122.0° |
| C1 | N7 | HN7 | 119.0° | 119.0° |
| C11 | C2 | N9 | 116.9° | 116.9° |
| C11 | C2 | O2 | 119.3° | 119.3° |
| C2 | C11 | C38 | 63.4° | 63.4° |
| C2 | C11 | N2 | 111.3° | 111.3° |
| C2 | C11 | H11 | 123.9° | 123.9° |
| N9 | C2 | O2 | 123.8° | 123.8° |
| C2 | N9 | C17 | 121.7° | 121.7° |
| C2 | N9 | HN9 | 119.1° | 119.1° |
| C36 | C3 | N5 | 111.5° | 111.5° |
| C36 | C3 | O3 | 53.3° | 53.3° |
| C3 | C36 | H361 | 109.5° | 109.5° |
| C3 | C36 | H362 | 109.5° | 109.5° |
| C3 | C36 | H363 | 109.5° | 109.5° |
| N5 | C3 | O3 | 60.8° | 60.8° |
| C3 | N5 | C30 | 112.8° | 112.8° |
| C3 | N5 | O10 | 116.8° | 116.8° |
| C3 | O3 | GA | 98.4° | 98.4° |
| C13 | C4 | N1 | 118.6° | 118.6° |
| C13 | C4 | O4 | 119.1° | 119.1° |
| C4 | C13 | C21 | 109.3° | 109.3° |
| C4 | C13 | N3 | 110.8° | 110.8° |
| C4 | C13 | H13 | 108.7° | 108.7° |
| N1 | C4 | O4 | 122.2° | 122.2° |
| C4 | N1 | C10 | 120.8° | 120.8° |
| C4 | N1 | HN1 | 119.6° | 119.6° |
| C14 | C5 | N2 | 116.9° | 116.9° |
| C14 | C5 | O5 | 119.7° | 119.7° |
| C5 | C14 | N7 | 109.7° | 109.7° |
| C5 | C14 | H141 | 109.4° | 109.4° |
| C5 | C14 | H142 | 109.4° | 109.4° |
| N2 | C5 | O5 | 123.3° | 123.3° |
| C5 | N2 | C11 | 120.7° | 120.7° |
| C5 | N2 | HN2 | 119.7° | 119.7° |
| C35 | C6 | N6 | 123.0° | 123.0° |
| C35 | C6 | O6 | 117.9° | 117.9° |
| C6 | C35 | H351 | 109.5° | 109.5° |
| C6 | C35 | H352 | 109.5° | 109.5° |
| C6 | C35 | H353 | 109.5° | 109.4° |
| N6 | C6 | O6 | 116.6° | 116.6° |
| C6 | N6 | C32 | 131.2° | 131.2° |
| C6 | N6 | O11 | 116.8° | 116.8° |
| C6 | O6 | GA | 136.2° | 136.2° |
| C16 | C7 | N3 | 117.7° | 117.7° |
| C16 | C7 | O7 | 119.6° | 119.6° |
| C7 | C16 | C24 | 111.3° | 111.3° |
| C7 | C16 | N4 | 108.9° | 108.9° |
| C7 | C16 | H16 | 108.6° | 108.6° |
| N3 | C7 | O7 | 122.7° | 122.7° |
| C7 | N3 | C13 | 122.6° | 122.6° |
| C7 | N3 | HN3 | 118.7° | 118.7° |
| C17 | C8 | N4 | 117.1° | 117.1° |
| C17 | C8 | O17 | 120.3° | 120.3° |
| C8 | C17 | N9 | 114.8° | 114.8° |
| C8 | C17 | H171 | 107.7° | 107.7° |
| C8 | C17 | H172 | 107.7° | 107.7° |
| N4 | C8 | O17 | 122.7° | 122.7° |
| C8 | N4 | C16 | 123.0° | 123.0° |
| C8 | N4 | HN4 | 118.5° | 118.5° |
| C37 | C9 | N8 | 122.5° | 122.5° |
| C37 | C9 | O8 | 119.6° | 119.6° |
| C9 | C37 | H371 | 109.5° | 109.5° |
| C9 | C37 | H372 | 109.5° | 109.5° |
| C9 | C37 | H373 | 109.5° | 109.5° |
| N8 | C9 | O8 | 117.8° | 117.8° |
| C9 | N8 | C34 | 130.8° | 130.8° |
| C9 | N8 | O14 | 117.2° | 117.2° |
| C9 | O8 | GA | 118.8° | 118.8° |
| C18 | C10 | N1 | 109.1° | 109.1° |
| C18 | C10 | H10 | 109.0° | 109.0° |
| C10 | C18 | C25 | 113.9° | 113.9° |
| C10 | C18 | H181 | 108.0° | 108.0° |
| C10 | C18 | H182 | 108.0° | 108.0° |
| N1 | C10 | H10 | 109.4° | 109.4° |
| C10 | N1 | HN1 | 119.6° | 119.6° |
| C38 | C11 | N2 | 72.2° | 72.2° |
| C38 | C11 | H11 | 154.5° | 154.5° |
| C11 | C38 | O18 | 90.0° | 90.0° |
| C11 | C38 | H381 | 90.0° | 90.0° |
| C11 | C38 | H382 | 90.0° | 90.0° |
| N2 | C11 | H11 | 119.0° | 119.0° |
| C11 | N2 | HN2 | 119.7° | 119.6° |
| C21 | C13 | N3 | 109.4° | 109.4° |
| C21 | C13 | H13 | 110.1° | 110.1° |
| C13 | C21 | C27 | 116.1° | 116.1° |
| C13 | C21 | H211 | 107.3° | 107.3° |
| C13 | C21 | H212 | 107.3° | 107.3° |
| N3 | C13 | H13 | 108.6° | 108.6° |
| C13 | N3 | HN3 | 118.7° | 118.7° |
| N7 | C14 | H141 | 109.4° | 109.4° |
| N7 | C14 | H142 | 109.4° | 109.4° |
| C14 | N7 | HN7 | 119.0° | 119.0° |
| H141 | C14 | H142 | 109.6° | 109.6° |
| C24 | C16 | N4 | 109.4° | 109.4° |
| C24 | C16 | H16 | 108.1° | 108.1° |
| C16 | C24 | C29 | 116.3° | 116.3° |
| C16 | C24 | H241 | 107.3° | 107.3° |
| C16 | C24 | H242 | 107.2° | 107.2° |
| N4 | C16 | H16 | 110.6° | 110.6° |
| C16 | N4 | HN4 | 118.5° | 118.5° |
| N9 | C17 | H171 | 107.7° | 107.7° |
| N9 | C17 | H172 | 107.7° | 107.7° |
| C17 | N9 | HN9 | 119.2° | 119.2° |
| H171 | C17 | H172 | 111.2° | 111.2° |
| C25 | C18 | H181 | 108.0° | 108.0° |
| C25 | C18 | H182 | 108.0° | 108.0° |
| C18 | C25 | C30 | 113.5° | 113.5° |
| C18 | C25 | H251 | 108.1° | 108.1° |
| C18 | C25 | H252 | 108.1° | 108.1° |
| H181 | C18 | H182 | 110.9° | 110.9° |
| C27 | C21 | H211 | 107.3° | 107.3° |
| C27 | C21 | H212 | 107.3° | 107.3° |
| C21 | C27 | C32 | 117.9° | 117.9° |
| C21 | C27 | H271 | 106.7° | 106.7° |
| C21 | C27 | H272 | 106.8° | 106.8° |
| H211 | C21 | H212 | 111.5° | 111.5° |
| C29 | C24 | H241 | 107.3° | 107.3° |
| C29 | C24 | H242 | 107.3° | 107.3° |
| C24 | C29 | C34 | 112.5° | 112.5° |
| C24 | C29 | H291 | 108.5° | 108.5° |
| C24 | C29 | H292 | 108.5° | 108.5° |
| H241 | C24 | H242 | 111.6° | 111.6° |
| C30 | C25 | H251 | 108.2° | 108.2° |
| C30 | C25 | H252 | 108.2° | 108.2° |
| C25 | C30 | N5 | 113.1° | 113.1° |
| C25 | C30 | H301 | 108.3° | 108.3° |
| C25 | C30 | H302 | 108.3° | 108.3° |
| H251 | C25 | H252 | 110.7° | 110.7° |
| C32 | C27 | H271 | 106.7° | 106.7° |
| C32 | C27 | H272 | 106.7° | 106.7° |
| C27 | C32 | N6 | 115.1° | 115.1° |
| C27 | C32 | H321 | 107.6° | 107.6° |
| C27 | C32 | H322 | 107.7° | 107.6° |
| H271 | C27 | H272 | 112.1° | 112.1° |
| C34 | C29 | H291 | 108.5° | 108.5° |
| C34 | C29 | H292 | 108.5° | 108.5° |
| C29 | C34 | N8 | 111.5° | 111.5° |
| C29 | C34 | H341 | 108.8° | 108.8° |
| C29 | C34 | H342 | 108.8° | 108.8° |
| H291 | C29 | H292 | 110.4° | 110.4° |
| N5 | C30 | H301 | 108.3° | 108.3° |
| N5 | C30 | H302 | 108.3° | 108.3° |
| C30 | N5 | O10 | 130.4° | 130.4° |
| H301 | C30 | H302 | 110.6° | 110.6° |
| N6 | C32 | H321 | 107.7° | 107.7° |
| N6 | C32 | H322 | 107.6° | 107.7° |
| C32 | N6 | O11 | 112.0° | 112.0° |
| H321 | C32 | H322 | 111.2° | 111.2° |
| N8 | C34 | H341 | 108.8° | 108.8° |
| N8 | C34 | H342 | 108.8° | 108.8° |
| C34 | N8 | O14 | 111.9° | 111.9° |
| H341 | C34 | H342 | 110.2° | 110.1° |
| H351 | C35 | H352 | 109.5° | 109.5° |
| H351 | C35 | H353 | 109.5° | 109.4° |
| H352 | C35 | H353 | 109.4° | 109.5° |
| H361 | C36 | H362 | 109.5° | 109.5° |
| H361 | C36 | H363 | 109.4° | 109.5° |
| H362 | C36 | H363 | 109.5° | 109.4° |
| H371 | C37 | H372 | 109.5° | 109.5° |
| H371 | C37 | H373 | 109.4° | 109.4° |
| H372 | C37 | H373 | 109.5° | 109.5° |
| O18 | C38 | H381 | 90.0° | 90.0° |
| O18 | C38 | H382 | 90.0° | 90.0° |
| C38 | O18 | H18 | 90.0° | 90.0° |
| H381 | C38 | H382 | 90.0° | 90.0° |
| O3 | GA | O6 | 24.5° | 24.5° |
| O3 | GA | O8 | 12.9° | 12.9° |
| O3 | GA | O10 | 28.1° | 28.1° |
| O3 | GA | O11 | 18.5° | 18.5° |
| O3 | GA | O14 | 33.5° | 33.5° |
| O6 | GA | O8 | 36.9° | 36.9° |
| O6 | GA | O10 | 31.4° | 31.4° |
| O6 | GA | O11 | 22.8° | 22.8° |
| O6 | GA | O14 | 52.9° | 52.9° |
| O8 | GA | O10 | 36.8° | 36.8° |
| O8 | GA | O11 | 29.1° | 29.1° |
| O8 | GA | O14 | 30.5° | 30.5° |
| O10 | GA | O11 | 10.6° | 10.6° |
| O10 | GA | O14 | 29.1° | 29.1° |
| GA | O10 | N5 | 123.3° | 123.3° |
| O11 | GA | O14 | 31.6° | 31.6° |
| GA | O11 | N6 | 101.6° | 101.6° |
| GA | O14 | N8 | 127.2° | 127.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C1 | N7 | O1 | 179.6° | 179.6° |
| C1 | C10 | N1 | C4 | 108.7° | 108.7° |
| C1 | C10 | C18 | N1 | 122.9° | 122.9° |
| C1 | C10 | C18 | H10 | 117.7° | 117.7° |
| C1 | C10 | N1 | H10 | 117.8° | 117.8° |
| C10 | C1 | N7 | C14 | 177.5° | 177.5° |
| C1 | C10 | C18 | C25 | 172.7° | 172.7° |
| C1 | C10 | C18 | H181 | 67.4° | 67.3° |
| C1 | C10 | C18 | H182 | 52.7° | 52.7° |
| C1 | C10 | N1 | HN1 | 71.3° | 71.3° |
| C10 | C1 | N7 | HN7 | 2.5° | 2.5° |
| C1 | N7 | C14 | C5 | 169.4° | 169.4° |
| N7 | C1 | C10 | C18 | 165.9° | 165.9° |
| N7 | C1 | C10 | N1 | 44.1° | 44.1° |
| N7 | C1 | C10 | H10 | 75.1° | 75.1° |
| C1 | N7 | C14 | HN7 | 180.0° | 180.0° |
| C1 | N7 | C14 | H141 | 49.4° | 49.4° |
| C1 | N7 | C14 | H142 | 70.6° | 70.6° |
| O1 | C1 | C10 | C18 | 13.7° | 13.7° |
| O1 | C1 | C10 | N1 | 135.4° | 135.4° |
| O1 | C1 | C10 | H10 | 105.3° | 105.3° |
| O1 | C1 | N7 | C14 | 2.9° | 2.9° |
| O1 | C1 | N7 | HN7 | 177.1° | 177.1° |
| C11 | C2 | N9 | O2 | 178.2° | 178.2° |
| C2 | C11 | N2 | C5 | 65.1° | 65.1° |
| C2 | C11 | C38 | N2 | 126.1° | 126.1° |
| C2 | C11 | C38 | H11 | 113.4° | 113.4° |
| C2 | C11 | N2 | H11 | 154.3° | 154.3° |
| C11 | C2 | N9 | C17 | 179.7° | 179.7° |
| C2 | C11 | C38 | O18 | 90.0° | 90.0° |
| C2 | C11 | C38 | H381 | 90.0° | 90.0° |
| C2 | C11 | C38 | H382 | 90.0° | 90.0° |
| C2 | C11 | N2 | HN2 | 114.9° | 114.9° |
| C11 | C2 | N9 | HN9 | 0.3° | 0.3° |
| C2 | N9 | C17 | C8 | 82.5° | 82.5° |
| N9 | C2 | C11 | C38 | 174.8° | 174.8° |
| N9 | C2 | C11 | N2 | 129.5° | 129.5° |
| N9 | C2 | C11 | H11 | 23.3° | 23.3° |
| C2 | N9 | C17 | HN9 | 180.0° | 180.0° |
| C2 | N9 | C17 | H171 | 37.5° | 37.5° |
| C2 | N9 | C17 | H172 | 157.5° | 157.5° |
| O2 | C2 | C11 | C38 | 6.9° | 6.9° |
| O2 | C2 | C11 | N2 | 48.8° | 48.8° |
| O2 | C2 | C11 | H11 | 158.5° | 158.5° |
| O2 | C2 | N9 | C17 | 2.1° | 2.1° |
| O2 | C2 | N9 | HN9 | 177.9° | 177.9° |
| C36 | C3 | N5 | O3 | 17.2° | 17.2° |
| C36 | C3 | N5 | C30 | 162.3° | 162.3° |
| C3 | C36 | H361 | H362 | 120.0° | 120.0° |
| C3 | C36 | H361 | H363 | 120.0° | 120.0° |
| C3 | C36 | H362 | H363 | 120.0° | 120.0° |
| C36 | C3 | O3 | GA | 169.5° | 169.5° |
| C36 | C3 | N5 | O10 | 17.6° | 17.6° |
| C3 | N5 | C30 | C25 | 56.3° | 56.3° |
| C3 | N5 | C30 | O10 | 179.9° | 179.9° |
| C3 | N5 | C30 | H301 | 176.4° | 176.4° |
| C3 | N5 | C30 | H302 | 63.7° | 63.7° |
| N5 | C3 | C36 | H361 | 18.8° | 18.8° |
| N5 | C3 | C36 | H362 | 138.8° | 138.8° |
| N5 | C3 | C36 | H363 | 101.2° | 101.2° |
| N5 | C3 | O3 | GA | 9.6° | 9.6° |
| C3 | N5 | O10 | GA | 162.4° | 162.4° |
| O3 | C3 | N5 | C30 | 179.6° | 179.6° |
| O3 | C3 | C36 | H361 | 0.0° | 0.0° |
| O3 | C3 | C36 | H362 | 120.0° | 120.0° |
| O3 | C3 | C36 | H363 | 120.0° | 120.0° |
| C3 | O3 | GA | O6 | 60.0° | 60.0° |
| C3 | O3 | GA | O8 | 139.5° | 139.5° |
| C3 | O3 | GA | O10 | 14.9° | 14.9° |
| C3 | O3 | GA | O11 | 3.3° | 3.3° |
| C3 | O3 | GA | O14 | 72.8° | 72.8° |
| O3 | C3 | N5 | O10 | 0.4° | 0.4° |
| C13 | C4 | N1 | O4 | 178.9° | 178.9° |
| C4 | C13 | N3 | C7 | 76.6° | 76.6° |
| C13 | C4 | N1 | C10 | 177.2° | 177.2° |
| C4 | C13 | C21 | N3 | 121.5° | 121.5° |
| C4 | C13 | C21 | H13 | 119.3° | 119.3° |
| C4 | C13 | N3 | H13 | 119.3° | 119.3° |
| C4 | C13 | C21 | C27 | 172.3° | 172.3° |
| C4 | C13 | C21 | H211 | 67.7° | 67.7° |
| C4 | C13 | C21 | H212 | 52.3° | 52.3° |
| C13 | C4 | N1 | HN1 | 2.7° | 2.7° |
| C4 | C13 | N3 | HN3 | 103.4° | 103.4° |
| C4 | N1 | C10 | C18 | 128.2° | 128.2° |
| C4 | N1 | C10 | HN1 | 180.0° | 180.0° |
| C4 | N1 | C10 | H10 | 9.1° | 9.1° |
| N1 | C4 | C13 | C21 | 74.7° | 74.7° |
| N1 | C4 | C13 | N3 | 45.9° | 45.9° |
| N1 | C4 | C13 | H13 | 165.1° | 165.1° |
| O4 | C4 | N1 | C10 | 1.6° | 1.6° |
| O4 | C4 | C13 | C21 | 104.2° | 104.2° |
| O4 | C4 | C13 | N3 | 135.2° | 135.2° |
| O4 | C4 | C13 | H13 | 16.0° | 16.0° |
| O4 | C4 | N1 | HN1 | 178.4° | 178.4° |
| C14 | C5 | N2 | O5 | 177.0° | 177.0° |
| C14 | C5 | N2 | C11 | 175.6° | 175.6° |
| C5 | C14 | N7 | H141 | 120.0° | 120.0° |
| C5 | C14 | N7 | H142 | 120.0° | 120.0° |
| C5 | C14 | H141 | H142 | 119.9° | 119.9° |
| C14 | C5 | N2 | HN2 | 4.4° | 4.4° |
| C5 | C14 | N7 | HN7 | 10.6° | 10.6° |
| C5 | N2 | C11 | C38 | 115.9° | 115.9° |
| C5 | N2 | C11 | HN2 | 180.0° | 180.0° |
| C5 | N2 | C11 | H11 | 89.2° | 89.2° |
| N2 | C5 | C14 | N7 | 179.8° | 179.8° |
| N2 | C5 | C14 | H141 | 60.2° | 60.2° |
| N2 | C5 | C14 | H142 | 59.8° | 59.8° |
| O5 | C5 | N2 | C11 | 1.4° | 1.4° |
| O5 | C5 | C14 | N7 | 3.1° | 3.1° |
| O5 | C5 | C14 | H141 | 116.9° | 116.9° |
| O5 | C5 | C14 | H142 | 123.1° | 123.1° |
| O5 | C5 | N2 | HN2 | 178.6° | 178.6° |
| C35 | C6 | N6 | O6 | 161.5° | 161.5° |
| C35 | C6 | N6 | C32 | 19.0° | 19.0° |
| C6 | C35 | H351 | H352 | 120.0° | 120.0° |
| C6 | C35 | H351 | H353 | 120.0° | 120.0° |
| C6 | C35 | H352 | H353 | 120.0° | 120.0° |
| C35 | C6 | O6 | GA | 113.4° | 113.4° |
| C35 | C6 | N6 | O11 | 160.5° | 160.5° |
| C6 | N6 | C32 | C27 | 94.2° | 94.2° |
| C6 | N6 | C32 | O11 | 179.5° | 179.5° |
| C6 | N6 | C32 | H321 | 25.8° | 25.8° |
| C6 | N6 | C32 | H322 | 145.8° | 145.8° |
| N6 | C6 | C35 | H351 | 161.3° | 161.3° |
| N6 | C6 | C35 | H352 | 78.7° | 78.7° |
| N6 | C6 | C35 | H353 | 41.2° | 41.3° |
| N6 | C6 | O6 | GA | 84.1° | 84.1° |
| C6 | N6 | O11 | GA | 36.5° | 36.5° |
| O6 | C6 | N6 | C32 | 179.5° | 179.5° |
| O6 | C6 | C35 | H351 | 0.0° | 0.0° |
| O6 | C6 | C35 | H352 | 120.0° | 120.0° |
| O6 | C6 | C35 | H353 | 120.0° | 120.0° |
| C6 | O6 | GA | O3 | 115.9° | 115.9° |
| C6 | O6 | GA | O8 | 123.0° | 123.0° |
| C6 | O6 | GA | O10 | 55.0° | 55.0° |
| C6 | O6 | GA | O11 | 68.9° | 68.9° |
| C6 | O6 | GA | O14 | 85.4° | 85.4° |
| O6 | C6 | N6 | O11 | 1.0° | 1.0° |
| C16 | C7 | N3 | O7 | 179.5° | 179.5° |
| C7 | C16 | N4 | C8 | 147.4° | 147.4° |
| C16 | C7 | N3 | C13 | 179.4° | 179.4° |
| C7 | C16 | C24 | N4 | 120.3° | 120.3° |
| C7 | C16 | C24 | H16 | 119.2° | 119.2° |
| C7 | C16 | N4 | H16 | 119.3° | 119.3° |
| C7 | C16 | C24 | C29 | 69.6° | 69.6° |
| C7 | C16 | C24 | H241 | 50.4° | 50.4° |
| C7 | C16 | C24 | H242 | 170.3° | 170.3° |
| C16 | C7 | N3 | HN3 | 0.6° | 0.6° |
| C7 | C16 | N4 | HN4 | 32.6° | 32.6° |
| C7 | N3 | C13 | C21 | 162.9° | 162.9° |
| C7 | N3 | C13 | HN3 | 180.0° | 180.0° |
| C7 | N3 | C13 | H13 | 42.7° | 42.7° |
| N3 | C7 | C16 | C24 | 46.5° | 46.5° |
| N3 | C7 | C16 | N4 | 167.1° | 167.1° |
| N3 | C7 | C16 | H16 | 72.4° | 72.4° |
| O7 | C7 | N3 | C13 | 0.1° | 0.1° |
| O7 | C7 | C16 | C24 | 133.1° | 133.1° |
| O7 | C7 | C16 | N4 | 12.5° | 12.5° |
| O7 | C7 | C16 | H16 | 108.0° | 108.0° |
| O7 | C7 | N3 | HN3 | 179.9° | 179.9° |
| C17 | C8 | N4 | O17 | 179.7° | 179.7° |
| C17 | C8 | N4 | C16 | 179.4° | 179.4° |
| C8 | C17 | N9 | H171 | 120.0° | 120.0° |
| C8 | C17 | N9 | H172 | 120.0° | 120.0° |
| C8 | C17 | H171 | H172 | 117.8° | 117.8° |
| C17 | C8 | N4 | HN4 | 0.6° | 0.6° |
| C8 | C17 | N9 | HN9 | 97.5° | 97.5° |
| C8 | N4 | C16 | C24 | 90.8° | 90.8° |
| C8 | N4 | C16 | HN4 | 180.0° | 180.0° |
| C8 | N4 | C16 | H16 | 28.2° | 28.2° |
| N4 | C8 | C17 | N9 | 1.1° | 1.1° |
| N4 | C8 | C17 | H171 | 121.1° | 121.1° |
| N4 | C8 | C17 | H172 | 118.9° | 118.9° |
| O17 | C8 | N4 | C16 | 0.3° | 0.3° |
| O17 | C8 | C17 | N9 | 178.6° | 178.6° |
| O17 | C8 | C17 | H171 | 58.6° | 58.6° |
| O17 | C8 | C17 | H172 | 61.4° | 61.4° |
| O17 | C8 | N4 | HN4 | 179.7° | 179.7° |
| C37 | C9 | N8 | O8 | 176.1° | 176.1° |
| C37 | C9 | N8 | C34 | 5.9° | 5.9° |
| C9 | C37 | H371 | H372 | 120.0° | 120.0° |
| C9 | C37 | H371 | H373 | 120.0° | 120.0° |
| C9 | C37 | H372 | H373 | 120.0° | 120.0° |
| C37 | C9 | O8 | GA | 133.5° | 133.5° |
| C37 | C9 | N8 | O14 | 174.6° | 174.6° |
| C9 | N8 | C34 | C29 | 109.5° | 109.5° |
| C9 | N8 | C34 | O14 | 179.5° | 179.5° |
| C9 | N8 | C34 | H341 | 10.5° | 10.5° |
| C9 | N8 | C34 | H342 | 130.5° | 130.5° |
| N8 | C9 | C37 | H371 | 176.1° | 176.1° |
| N8 | C9 | C37 | H372 | 63.9° | 63.9° |
| N8 | C9 | C37 | H373 | 56.1° | 56.1° |
| N8 | C9 | O8 | GA | 42.8° | 42.8° |
| C9 | N8 | O14 | GA | 49.7° | 49.7° |
| O8 | C9 | N8 | C34 | 178.0° | 178.0° |
| O8 | C9 | C37 | H371 | 0.0° | 0.0° |
| O8 | C9 | C37 | H372 | 120.0° | 120.0° |
| O8 | C9 | C37 | H373 | 120.0° | 120.0° |
| C9 | O8 | GA | O3 | 133.6° | 133.6° |
| C9 | O8 | GA | O6 | 146.9° | 146.9° |
| C9 | O8 | GA | O10 | 93.3° | 93.3° |
| C9 | O8 | GA | O11 | 106.8° | 106.8° |
| C9 | O8 | GA | O14 | 40.4° | 40.4° |
| O8 | C9 | N8 | O14 | 1.5° | 1.5° |
| C18 | C10 | N1 | H10 | 119.1° | 119.1° |
| C10 | C18 | C25 | H181 | 120.0° | 120.0° |
| C10 | C18 | C25 | H182 | 120.0° | 120.0° |
| C10 | C18 | H181 | H182 | 118.2° | 118.2° |
| C10 | C18 | C25 | C30 | 146.4° | 146.4° |
| C10 | C18 | C25 | H251 | 93.6° | 93.6° |
| C10 | C18 | C25 | H252 | 26.4° | 26.4° |
| C18 | C10 | N1 | HN1 | 51.8° | 51.8° |
| N1 | C10 | C18 | C25 | 64.4° | 64.4° |
| N1 | C10 | C18 | H181 | 55.5° | 55.6° |
| N1 | C10 | C18 | H182 | 175.6° | 175.6° |
| H10 | C10 | C18 | C25 | 54.9° | 54.9° |
| H10 | C10 | C18 | H181 | 174.9° | 174.9° |
| H10 | C10 | C18 | H182 | 65.0° | 65.0° |
| H10 | C10 | N1 | HN1 | 170.9° | 170.9° |
| C38 | C11 | N2 | H11 | 154.9° | 154.9° |
| C11 | C38 | O18 | H381 | 90.0° | 90.0° |
| C11 | C38 | O18 | H382 | 90.0° | 90.0° |
| C11 | C38 | H381 | H382 | 90.0° | 90.0° |
| C38 | C11 | N2 | HN2 | 64.1° | 64.1° |
| C11 | C38 | O18 | H18 | 90.0° | 90.0° |
| N2 | C11 | C38 | O18 | 90.0° | 90.0° |
| N2 | C11 | C38 | H381 | 90.0° | 90.0° |
| N2 | C11 | C38 | H382 | 90.0° | 90.0° |
| H11 | C11 | C38 | O18 | 90.0° | 90.0° |
| H11 | C11 | C38 | H381 | 90.0° | 90.0° |
| H11 | C11 | C38 | H382 | 90.0° | 90.0° |
| H11 | C11 | N2 | HN2 | 90.8° | 90.8° |
| C21 | C13 | N3 | H13 | 120.1° | 120.1° |
| C13 | C21 | C27 | H211 | 120.0° | 120.0° |
| C13 | C21 | C27 | H212 | 120.0° | 120.0° |
| C13 | C21 | H211 | H212 | 117.3° | 117.3° |
| C13 | C21 | C27 | C32 | 93.1° | 93.1° |
| C13 | C21 | C27 | H271 | 146.9° | 146.9° |
| C13 | C21 | C27 | H272 | 26.9° | 26.9° |
| C21 | C13 | N3 | HN3 | 17.2° | 17.2° |
| N3 | C13 | C21 | C27 | 66.2° | 66.2° |
| N3 | C13 | C21 | H211 | 53.8° | 53.8° |
| N3 | C13 | C21 | H212 | 173.8° | 173.8° |
| H13 | C13 | C21 | C27 | 53.0° | 53.0° |
| H13 | C13 | C21 | H211 | 173.0° | 173.0° |
| H13 | C13 | C21 | H212 | 67.0° | 67.0° |
| H13 | C13 | N3 | HN3 | 137.3° | 137.3° |
| N7 | C14 | H141 | H142 | 119.9° | 119.9° |
| H141 | C14 | N7 | HN7 | 130.6° | 130.6° |
| H142 | C14 | N7 | HN7 | 109.4° | 109.4° |
| C24 | C16 | N4 | H16 | 118.9° | 118.9° |
| C16 | C24 | C29 | H241 | 120.0° | 120.0° |
| C16 | C24 | C29 | H242 | 120.0° | 120.0° |
| C16 | C24 | H241 | H242 | 117.2° | 117.2° |
| C16 | C24 | C29 | C34 | 178.1° | 178.1° |
| C16 | C24 | C29 | H291 | 61.9° | 61.9° |
| C16 | C24 | C29 | H292 | 58.1° | 58.1° |
| C24 | C16 | N4 | HN4 | 89.2° | 89.2° |
| N4 | C16 | C24 | C29 | 50.7° | 50.7° |
| N4 | C16 | C24 | H241 | 170.7° | 170.7° |
| N4 | C16 | C24 | H242 | 69.3° | 69.3° |
| H16 | C16 | C24 | C29 | 171.1° | 171.1° |
| H16 | C16 | C24 | H241 | 68.8° | 68.8° |
| H16 | C16 | C24 | H242 | 51.1° | 51.1° |
| H16 | C16 | N4 | HN4 | 151.8° | 151.8° |
| N9 | C17 | H171 | H172 | 117.8° | 117.8° |
| H171 | C17 | N9 | HN9 | 142.5° | 142.5° |
| H172 | C17 | N9 | HN9 | 22.5° | 22.5° |
| C25 | C18 | H181 | H182 | 118.2° | 118.2° |
| C18 | C25 | C30 | H251 | 120.0° | 120.0° |
| C18 | C25 | C30 | H252 | 120.0° | 120.0° |
| C18 | C25 | H251 | H252 | 118.3° | 118.3° |
| C18 | C25 | C30 | N5 | 50.5° | 50.5° |
| C18 | C25 | C30 | H301 | 69.5° | 69.5° |
| C18 | C25 | C30 | H302 | 170.6° | 170.6° |
| H181 | C18 | C25 | C30 | 26.4° | 26.4° |
| H181 | C18 | C25 | H251 | 146.4° | 146.4° |
| H181 | C18 | C25 | H252 | 93.6° | 93.6° |
| H182 | C18 | C25 | C30 | 93.6° | 93.6° |
| H182 | C18 | C25 | H251 | 26.4° | 26.4° |
| H182 | C18 | C25 | H252 | 146.4° | 146.4° |
| C27 | C21 | H211 | H212 | 117.3° | 117.3° |
| C21 | C27 | C32 | H271 | 120.0° | 120.0° |
| C21 | C27 | C32 | H272 | 120.0° | 120.0° |
| C21 | C27 | H271 | H272 | 116.5° | 116.5° |
| C21 | C27 | C32 | N6 | 32.3° | 32.3° |
| C21 | C27 | C32 | H321 | 152.3° | 152.3° |
| C21 | C27 | C32 | H322 | 87.7° | 87.8° |
| H211 | C21 | C27 | C32 | 26.9° | 26.9° |
| H211 | C21 | C27 | H271 | 93.1° | 93.1° |
| H211 | C21 | C27 | H272 | 146.9° | 146.9° |
| H212 | C21 | C27 | C32 | 146.9° | 146.9° |
| H212 | C21 | C27 | H271 | 26.9° | 26.9° |
| H212 | C21 | C27 | H272 | 93.1° | 93.1° |
| C29 | C24 | H241 | H242 | 117.2° | 117.2° |
| C24 | C29 | C34 | H291 | 120.0° | 120.0° |
| C24 | C29 | C34 | H292 | 120.0° | 120.0° |
| C24 | C29 | H291 | H292 | 118.7° | 118.7° |
| C24 | C29 | C34 | N8 | 44.1° | 44.1° |
| C24 | C29 | C34 | H341 | 75.9° | 75.9° |
| C24 | C29 | C34 | H342 | 164.1° | 164.1° |
| H241 | C24 | C29 | C34 | 58.1° | 58.1° |
| H241 | C24 | C29 | H291 | 178.1° | 178.1° |
| H241 | C24 | C29 | H292 | 61.9° | 61.9° |
| H242 | C24 | C29 | C34 | 61.9° | 61.9° |
| H242 | C24 | C29 | H291 | 58.1° | 58.1° |
| H242 | C24 | C29 | H292 | 178.1° | 178.1° |
| C30 | C25 | H251 | H252 | 118.4° | 118.4° |
| C25 | C30 | N5 | H301 | 120.0° | 120.0° |
| C25 | C30 | N5 | H302 | 120.0° | 120.0° |
| C25 | C30 | H301 | H302 | 118.5° | 118.5° |
| C25 | C30 | N5 | O10 | 123.6° | 123.6° |
| H251 | C25 | C30 | N5 | 170.5° | 170.5° |
| H251 | C25 | C30 | H301 | 50.5° | 50.5° |
| H251 | C25 | C30 | H302 | 69.4° | 69.4° |
| H252 | C25 | C30 | N5 | 69.5° | 69.5° |
| H252 | C25 | C30 | H301 | 170.5° | 170.5° |
| H252 | C25 | C30 | H302 | 50.5° | 50.5° |
| C32 | C27 | H271 | H272 | 116.5° | 116.5° |
| C27 | C32 | N6 | H321 | 120.0° | 120.0° |
| C27 | C32 | N6 | H322 | 120.0° | 120.0° |
| C27 | C32 | H321 | H322 | 117.7° | 117.7° |
| C27 | C32 | N6 | O11 | 86.4° | 86.4° |
| H271 | C27 | C32 | N6 | 87.7° | 87.7° |
| H271 | C27 | C32 | H321 | 32.3° | 32.3° |
| H271 | C27 | C32 | H322 | 152.3° | 152.2° |
| H272 | C27 | C32 | N6 | 152.3° | 152.3° |
| H272 | C27 | C32 | H321 | 87.7° | 87.7° |
| H272 | C27 | C32 | H322 | 32.3° | 32.3° |
| C34 | C29 | H291 | H292 | 118.8° | 118.8° |
| C29 | C34 | N8 | H341 | 120.0° | 120.0° |
| C29 | C34 | N8 | H342 | 120.0° | 120.0° |
| C29 | C34 | H341 | H342 | 119.2° | 119.2° |
| C29 | C34 | N8 | O14 | 70.0° | 70.0° |
| H291 | C29 | C34 | N8 | 164.1° | 164.1° |
| H291 | C29 | C34 | H341 | 44.1° | 44.1° |
| H291 | C29 | C34 | H342 | 75.9° | 75.9° |
| H292 | C29 | C34 | N8 | 75.9° | 75.9° |
| H292 | C29 | C34 | H341 | 164.1° | 164.1° |
| H292 | C29 | C34 | H342 | 44.1° | 44.1° |
| N5 | C30 | H301 | H302 | 118.5° | 118.5° |
| C30 | N5 | O10 | GA | 17.7° | 17.7° |
| H301 | C30 | N5 | O10 | 3.6° | 3.6° |
| H302 | C30 | N5 | O10 | 116.4° | 116.4° |
| N6 | C32 | H321 | H322 | 117.7° | 117.7° |
| C32 | N6 | O11 | GA | 144.0° | 144.0° |
| H321 | C32 | N6 | O11 | 153.6° | 153.6° |
| H322 | C32 | N6 | O11 | 33.7° | 33.6° |
| N8 | C34 | H341 | H342 | 119.2° | 119.2° |
| C34 | N8 | O14 | GA | 130.7° | 130.7° |
| H341 | C34 | N8 | O14 | 170.0° | 170.0° |
| H342 | C34 | N8 | O14 | 50.0° | 50.0° |
| H351 | C35 | H352 | H353 | 120.0° | 120.0° |
| H361 | C36 | H362 | H363 | 120.0° | 120.0° |
| H371 | C37 | H372 | H373 | 119.9° | 119.9° |
| O18 | C38 | H381 | H382 | 90.0° | 90.0° |
| H381 | C38 | O18 | H18 | 90.0° | 90.0° |
| H382 | C38 | O18 | H18 | 90.0° | 90.0° |
| O3 | GA | O6 | O8 | 7.1° | 7.1° |
| O3 | GA | O6 | O10 | 60.8° | 60.8° |
| O3 | GA | O6 | O11 | 47.0° | 47.0° |
| O3 | GA | O6 | O14 | 30.5° | 30.5° |
| O3 | GA | O8 | O10 | 40.3° | 40.3° |
| O3 | GA | O8 | O11 | 26.8° | 26.8° |
| O3 | GA | O8 | O14 | 93.1° | 93.1° |
| O3 | GA | O10 | O11 | 20.2° | 20.2° |
| O3 | GA | O10 | O14 | 74.0° | 74.0° |
| O3 | GA | O11 | O14 | 81.1° | 81.1° |
| O3 | GA | O10 | N5 | 163.1° | 163.1° |
| O3 | GA | O11 | N6 | 113.3° | 113.3° |
| O3 | GA | O14 | N8 | 66.7° | 66.7° |
| O6 | GA | O8 | O10 | 53.7° | 53.7° |
| O6 | GA | O8 | O11 | 40.2° | 40.2° |
| O6 | GA | O8 | O14 | 106.5° | 106.5° |
| O6 | GA | O10 | O11 | 30.1° | 30.1° |
| O6 | GA | O10 | O14 | 124.2° | 124.2° |
| O6 | GA | O11 | O14 | 154.4° | 154.4° |
| O6 | GA | O10 | N5 | 112.8° | 112.8° |
| O6 | GA | O11 | N6 | 40.0° | 40.0° |
| O6 | GA | O14 | N8 | 89.2° | 89.2° |
| O8 | GA | O10 | O11 | 37.9° | 37.9° |
| O8 | GA | O10 | O14 | 56.2° | 56.2° |
| O8 | GA | O11 | O14 | 62.6° | 62.6° |
| O8 | GA | O10 | N5 | 179.1° | 179.1° |
| O8 | GA | O11 | N6 | 131.7° | 131.7° |
| O8 | GA | O14 | N8 | 43.0° | 43.0° |
| O10 | GA | O11 | O14 | 68.1° | 68.1° |
| O10 | GA | O11 | N6 | 97.6° | 97.6° |
| O10 | GA | O14 | N8 | 121.9° | 121.9° |
| O11 | GA | O10 | N5 | 142.9° | 142.9° |
| O11 | GA | O14 | N8 | 101.3° | 101.3° |
| O14 | GA | O10 | N5 | 123.0° | 123.0° |
| O14 | GA | O11 | N6 | 165.7° | 165.7° |
