GWX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.46Å | 1.47Å | |
| C1 | C3 | sing | 1.51Å | 1.55Å | |
| C1 | C9 | sing | 1.53Å | 1.56Å | |
| N2 | C4 | sing | 1.35Å | 1.39Å | |
| C3 | O7 | doub | 1.21Å | 1.23Å | |
| C3 | N8 | sing | 1.35Å | 1.40Å | |
| C4 | N5 | sing | 1.35Å | 1.41Å | |
| C4 | O6 | doub | 1.22Å | 1.25Å | |
| N5 | C16 | sing | 1.46Å | 1.46Å | |
| N8 | C25 | sing | 1.46Å | 1.48Å | |
| C9 | C10 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | C15 | sing | 1.53Å | 1.53Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C12 | C13 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C16 | C17 | sing | 1.51Å | 1.54Å | |
| C16 | C20 | sing | 1.53Å | 1.55Å | |
| C17 | O18 | doub | 1.21Å | 1.21Å | |
| C17 | O19 | sing | 1.34Å | 1.34Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.53Å | 1.51Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C23 | N24 | sing | 1.47Å | 1.46Å | |
| C25 | C26 | sing | 1.55Å | 1.59Å | |
| C25 | C27 | sing | 1.56Å | 1.59Å | |
| C26 | C28 | sing | 1.56Å | 1.54Å | |
| C27 | C29 | sing | 1.57Å | 1.56Å | |
| C27 | C31 | sing | 1.56Å | 1.55Å | |
| C27 | C34 | sing | 1.53Å | 1.54Å | |
| C28 | C29 | sing | 1.57Å | 1.55Å | |
| C28 | C30 | sing | 1.56Å | 1.54Å | |
| C29 | C32 | sing | 1.53Å | 1.55Å | |
| C29 | C33 | sing | 1.53Å | 1.55Å | |
| C30 | C31 | sing | 1.55Å | 1.54Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| N8 | H8 | sing | 0.97Å | 1.00Å | |
| N5 | H5 | sing | 0.97Å | 1.00Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| O19 | H19 | sing | 0.97Å | 0.95Å | |
| 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 | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| N24 | H241 | sing | 1.01Å | 1.00Å | |
| N24 | H242 | sing | 1.01Å | 1.00Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C34 | H343 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C3 | 113.9° | 109.5° |
| N2 | C1 | C9 | 111.2° | 109.5° |
| C1 | N2 | C4 | 123.9° | 120.0° |
| N2 | C1 | H1 | 107.0° | 109.5° |
| C1 | N2 | H2 | 118.1° | 120.0° |
| C3 | C1 | C9 | 112.2° | 109.5° |
| C1 | C3 | O7 | 120.6° | 120.0° |
| C1 | C3 | N8 | 116.9° | 120.0° |
| C3 | C1 | H1 | 106.0° | 109.5° |
| C1 | C9 | C10 | 119.9° | 109.5° |
| C9 | C1 | H1 | 106.0° | 109.4° |
| C1 | C9 | H91C | 106.8° | 109.5° |
| C1 | C9 | H92C | 106.8° | 109.4° |
| N2 | C4 | N5 | 112.6° | 120.0° |
| N2 | C4 | O6 | 123.9° | 120.0° |
| C4 | N2 | H2 | 118.1° | 120.0° |
| O7 | C3 | N8 | 122.5° | 120.0° |
| C3 | N8 | C25 | 123.2° | 120.0° |
| C3 | N8 | H8 | 118.4° | 120.0° |
| N5 | C4 | O6 | 123.4° | 120.0° |
| C4 | N5 | C16 | 123.2° | 120.0° |
| C4 | N5 | H5 | 118.4° | 120.0° |
| N5 | C16 | C17 | 107.8° | 109.5° |
| N5 | C16 | C20 | 106.9° | 109.5° |
| C16 | N5 | H5 | 118.4° | 120.0° |
| N5 | C16 | H16 | 112.0° | 109.5° |
| N8 | C25 | C26 | 113.9° | 110.4° |
| N8 | C25 | C27 | 115.8° | 110.4° |
| C25 | N8 | H8 | 118.4° | 120.0° |
| N8 | C25 | H25 | 109.2° | 110.4° |
| C9 | C10 | C11 | 111.3° | 109.5° |
| C9 | C10 | C15 | 112.3° | 109.5° |
| C10 | C9 | H91C | 106.8° | 109.5° |
| C10 | C9 | H92C | 106.8° | 109.4° |
| C9 | C10 | H10 | 108.0° | 109.5° |
| C11 | C10 | C15 | 109.2° | 109.5° |
| C10 | C11 | C12 | 113.2° | 109.5° |
| C11 | C10 | H10 | 108.0° | 109.5° |
| C10 | C11 | H111 | 108.5° | 109.5° |
| C10 | C11 | H112 | 108.5° | 109.5° |
| C10 | C15 | C14 | 112.8° | 109.5° |
| C15 | C10 | H10 | 107.9° | 109.4° |
| C10 | C15 | H151 | 108.6° | 109.5° |
| C10 | C15 | H152 | 108.6° | 109.5° |
| C11 | C12 | C13 | 111.5° | 109.5° |
| C12 | C11 | H111 | 108.5° | 109.5° |
| C12 | C11 | H112 | 108.5° | 109.4° |
| C11 | C12 | H121 | 109.0° | 109.5° |
| C11 | C12 | H122 | 108.9° | 109.5° |
| C12 | C13 | C14 | 110.9° | 109.5° |
| C13 | C12 | H121 | 109.0° | 109.5° |
| C13 | C12 | H122 | 109.0° | 109.5° |
| C12 | C13 | H131 | 109.1° | 109.5° |
| C12 | C13 | H132 | 109.1° | 109.5° |
| C13 | C14 | C15 | 111.5° | 109.5° |
| C14 | C13 | H131 | 109.1° | 109.4° |
| C14 | C13 | H132 | 109.1° | 109.5° |
| C13 | C14 | H141 | 109.0° | 109.4° |
| C13 | C14 | H142 | 109.0° | 109.4° |
| C14 | C15 | H151 | 108.6° | 109.4° |
| C14 | C15 | H152 | 108.6° | 109.5° |
| C15 | C14 | H141 | 108.9° | 109.5° |
| C15 | C14 | H142 | 109.0° | 109.5° |
| C17 | C16 | C20 | 108.5° | 109.5° |
| C16 | C17 | O18 | 126.9° | 119.9° |
| C16 | C17 | O19 | 113.1° | 120.0° |
| C17 | C16 | H16 | 110.8° | 109.5° |
| C16 | C20 | C21 | 112.1° | 109.5° |
| C20 | C16 | H16 | 110.7° | 109.5° |
| C16 | C20 | H201 | 108.8° | 109.5° |
| C16 | C20 | H202 | 108.8° | 109.4° |
| O18 | C17 | O19 | 119.9° | 120.0° |
| C17 | O19 | H19 | 109.5° | 117.0° |
| C20 | C21 | C22 | 114.1° | 109.5° |
| C21 | C20 | H201 | 108.8° | 109.5° |
| C21 | C20 | H202 | 108.8° | 109.4° |
| C20 | C21 | H211 | 108.3° | 109.5° |
| C20 | C21 | H212 | 108.3° | 109.5° |
| C21 | C22 | C23 | 113.0° | 109.5° |
| C22 | C21 | H211 | 108.3° | 109.5° |
| C22 | C21 | H212 | 108.3° | 109.4° |
| C21 | C22 | H221 | 108.6° | 109.5° |
| C21 | C22 | H222 | 108.6° | 109.5° |
| C22 | C23 | N24 | 114.9° | 109.5° |
| C23 | C22 | H221 | 108.6° | 109.5° |
| C23 | C22 | H222 | 108.6° | 109.4° |
| C22 | C23 | H231 | 108.1° | 109.5° |
| C22 | C23 | H232 | 108.1° | 109.5° |
| N24 | C23 | H231 | 108.1° | 109.5° |
| N24 | C23 | H232 | 108.1° | 109.4° |
| C23 | N24 | H241 | 109.5° | 111.0° |
| C23 | N24 | H242 | 109.5° | 111.0° |
| C26 | C25 | C27 | 101.8° | 104.6° |
| C25 | C26 | C28 | 103.0° | 104.7° |
| C26 | C25 | H25 | 107.9° | 110.4° |
| C25 | C26 | H261 | 111.1° | 110.4° |
| C25 | C26 | H262 | 111.1° | 110.4° |
| C25 | C27 | C29 | 100.6° | 100.7° |
| C25 | C27 | C31 | 109.0° | 104.5° |
| C25 | C27 | C34 | 114.4° | 115.9° |
| C27 | C25 | H25 | 107.8° | 110.4° |
| C26 | C28 | C29 | 103.1° | 100.7° |
| C26 | C28 | C30 | 107.6° | 104.5° |
| C28 | C26 | H261 | 111.1° | 110.4° |
| C28 | C26 | H262 | 111.1° | 110.4° |
| C26 | C28 | H28 | 113.9° | 115.9° |
| C29 | C27 | C31 | 101.7° | 100.7° |
| C29 | C27 | C34 | 118.1° | 116.2° |
| C27 | C29 | C28 | 92.9° | 96.1° |
| C27 | C29 | C32 | 115.1° | 112.0° |
| C27 | C29 | C33 | 115.1° | 112.0° |
| C31 | C27 | C34 | 111.8° | 116.5° |
| C27 | C31 | C30 | 104.0° | 104.7° |
| C27 | C31 | H311 | 110.8° | 110.4° |
| C27 | C31 | H312 | 110.8° | 110.4° |
| C27 | C34 | H341 | 109.5° | 109.5° |
| C27 | C34 | H342 | 109.4° | 109.5° |
| C27 | C34 | H343 | 109.5° | 109.5° |
| C29 | C28 | C30 | 103.3° | 100.6° |
| C28 | C29 | C32 | 114.3° | 112.0° |
| C28 | C29 | C33 | 114.2° | 112.0° |
| C29 | C28 | H28 | 113.8° | 116.2° |
| C28 | C30 | C31 | 102.7° | 104.6° |
| C30 | C28 | H28 | 114.0° | 116.5° |
| C28 | C30 | H301 | 111.1° | 110.4° |
| C28 | C30 | H302 | 111.1° | 110.4° |
| C32 | C29 | C33 | 105.4° | 111.8° |
| C29 | C32 | H321 | 109.5° | 109.4° |
| C29 | C32 | H322 | 109.5° | 109.5° |
| C29 | C32 | H323 | 109.5° | 109.5° |
| C29 | C33 | H331 | 109.5° | 109.5° |
| C29 | C33 | H332 | 109.5° | 109.5° |
| C29 | C33 | H333 | 109.5° | 109.5° |
| C30 | C31 | H311 | 110.8° | 110.4° |
| C30 | C31 | H312 | 110.8° | 110.4° |
| C31 | C30 | H301 | 111.1° | 110.4° |
| C31 | C30 | H302 | 111.1° | 110.4° |
| H91C | C9 | H92C | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H151 | C15 | H152 | 109.5° | 109.4° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H141 | C14 | H142 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.4° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H241 | N24 | H242 | 109.5° | 111.0° |
| H261 | C26 | H262 | 109.4° | 110.5° |
| H311 | C31 | H312 | 109.5° | 110.4° |
| H341 | C34 | H342 | 109.5° | 109.4° |
| H341 | C34 | H343 | 109.5° | 109.4° |
| H342 | C34 | H343 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 110.5° |
| H321 | C32 | H322 | 109.4° | 109.5° |
| H321 | C32 | H323 | 109.5° | 109.4° |
| H322 | C32 | H323 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.4° | 109.4° |
| H331 | C33 | H333 | 109.5° | 109.5° |
| H332 | C33 | H333 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C3 | C9 | 127.4° | 120.0° |
| N2 | C1 | C3 | H1 | 117.4° | 120.0° |
| N2 | C1 | C9 | H1 | 115.9° | 120.0° |
| C1 | N2 | C4 | H2 | 180.0° | 179.9° |
| N2 | C1 | C3 | O7 | 154.4° | 0.0° |
| N2 | C1 | C3 | N8 | 26.7° | 180.0° |
| C1 | N2 | C4 | N5 | 178.1° | 180.0° |
| C1 | N2 | C4 | O6 | 2.9° | 0.1° |
| N2 | C1 | C9 | C10 | 80.2° | 65.0° |
| N2 | C1 | C9 | H91C | 41.2° | 175.0° |
| N2 | C1 | C9 | H92C | 158.3° | 55.0° |
| C3 | C1 | C9 | H1 | 115.3° | 120.0° |
| C3 | C1 | N2 | C4 | 61.9° | 154.9° |
| C1 | C3 | O7 | N8 | 178.9° | 180.0° |
| C1 | C3 | N8 | C25 | 179.0° | 180.0° |
| C3 | C1 | C9 | C10 | 48.6° | 175.0° |
| C3 | C1 | N2 | H2 | 118.1° | 24.9° |
| C3 | C1 | C9 | H91C | 170.1° | 55.0° |
| C3 | C1 | C9 | H92C | 72.8° | 65.0° |
| C1 | C3 | N8 | H8 | 1.0° | 0.0° |
| C9 | C1 | N2 | C4 | 170.2° | 85.0° |
| C9 | C1 | C3 | O7 | 78.2° | 120.0° |
| C9 | C1 | C3 | N8 | 100.7° | 60.0° |
| C1 | C9 | C10 | H91C | 121.5° | 120.0° |
| C1 | C9 | C10 | H92C | 121.5° | 120.0° |
| C1 | C9 | C10 | C11 | 164.2° | 175.0° |
| C1 | C9 | C10 | C15 | 73.1° | 65.0° |
| C9 | C1 | N2 | H2 | 9.8° | 95.1° |
| C1 | C9 | H91C | H92C | 115.3° | 120.0° |
| C1 | C9 | C10 | H10 | 45.8° | 54.9° |
| N2 | C4 | N5 | O6 | 179.0° | 180.0° |
| N2 | C4 | N5 | C16 | 178.1° | 180.0° |
| C4 | N2 | C1 | H1 | 54.9° | 34.9° |
| N2 | C4 | N5 | H5 | 1.9° | 0.0° |
| O7 | C3 | N8 | C25 | 0.1° | 0.0° |
| O7 | C3 | C1 | H1 | 37.0° | 120.0° |
| O7 | C3 | N8 | H8 | 180.0° | 179.9° |
| C3 | N8 | C25 | H8 | 180.0° | 179.9° |
| C3 | N8 | C25 | C26 | 149.8° | 152.7° |
| C3 | N8 | C25 | C27 | 92.7° | 92.1° |
| N8 | C3 | C1 | H1 | 144.0° | 60.0° |
| C3 | N8 | C25 | H25 | 29.2° | 30.3° |
| C4 | N5 | C16 | H5 | 180.0° | 180.0° |
| C4 | N5 | C16 | C17 | 60.9° | 85.0° |
| C4 | N5 | C16 | C20 | 177.4° | 155.0° |
| N5 | C4 | N2 | H2 | 1.9° | 0.1° |
| C4 | N5 | C16 | H16 | 61.3° | 35.0° |
| O6 | C4 | N5 | C16 | 2.9° | 0.0° |
| O6 | C4 | N2 | H2 | 177.1° | 179.9° |
| O6 | C4 | N5 | H5 | 177.0° | 180.0° |
| N5 | C16 | C17 | C20 | 115.4° | 120.0° |
| N5 | C16 | C17 | H16 | 122.8° | 120.0° |
| N5 | C16 | C20 | H16 | 122.2° | 120.0° |
| N5 | C16 | C17 | O18 | 36.9° | 0.0° |
| N5 | C16 | C17 | O19 | 140.8° | 180.0° |
| N5 | C16 | C20 | C21 | 175.9° | 65.0° |
| N5 | C16 | C20 | H201 | 55.4° | 55.0° |
| N5 | C16 | C20 | H202 | 63.7° | 175.0° |
| N8 | C25 | C26 | C27 | 125.4° | 118.8° |
| N8 | C25 | C26 | H25 | 121.4° | 122.4° |
| N8 | C25 | C27 | H25 | 122.6° | 122.4° |
| N8 | C25 | C26 | C28 | 128.2° | 118.8° |
| N8 | C25 | C27 | C29 | 162.6° | 152.6° |
| N8 | C25 | C27 | C31 | 56.2° | 48.5° |
| N8 | C25 | C27 | C34 | 69.8° | 81.2° |
| N8 | C25 | C26 | H261 | 112.8° | 122.4° |
| N8 | C25 | C26 | H262 | 9.2° | 0.0° |
| C9 | C10 | C11 | C15 | 124.5° | 120.0° |
| C9 | C10 | C11 | H10 | 118.4° | 120.0° |
| C9 | C10 | C15 | H10 | 118.9° | 120.0° |
| C9 | C10 | C11 | C12 | 178.6° | 180.0° |
| C9 | C10 | C15 | C14 | 178.0° | 180.0° |
| C10 | C9 | C1 | H1 | 163.9° | 55.0° |
| C10 | C9 | H91C | H92C | 115.3° | 120.0° |
| C9 | C10 | C11 | H111 | 58.0° | 60.0° |
| C9 | C10 | C11 | H112 | 60.9° | 60.0° |
| C9 | C10 | C15 | H151 | 61.5° | 60.0° |
| C9 | C10 | C15 | H152 | 57.5° | 60.0° |
| C11 | C10 | C15 | H10 | 117.2° | 120.0° |
| C10 | C11 | C12 | H111 | 120.5° | 120.0° |
| C10 | C11 | C12 | H112 | 120.5° | 120.0° |
| C10 | C11 | C12 | C13 | 55.3° | 60.0° |
| C11 | C10 | C15 | C14 | 54.1° | 60.0° |
| C11 | C10 | C9 | H91C | 74.3° | 65.0° |
| C11 | C10 | C9 | H92C | 42.7° | 55.0° |
| C10 | C11 | H111 | H112 | 118.3° | 120.1° |
| C11 | C10 | C15 | H151 | 174.6° | 180.0° |
| C11 | C10 | C15 | H152 | 66.4° | 60.0° |
| C10 | C11 | C12 | H121 | 175.6° | 180.0° |
| C10 | C11 | C12 | H122 | 65.0° | 60.0° |
| C15 | C10 | C11 | C12 | 54.1° | 60.0° |
| C10 | C15 | C14 | C13 | 55.5° | 60.0° |
| C10 | C15 | C14 | H151 | 120.5° | 120.1° |
| C10 | C15 | C14 | H152 | 120.5° | 120.0° |
| C15 | C10 | C9 | H91C | 48.4° | 55.0° |
| C15 | C10 | C9 | H92C | 165.5° | 175.0° |
| C15 | C10 | C11 | H111 | 66.5° | 60.0° |
| C15 | C10 | C11 | H112 | 174.6° | 180.0° |
| C10 | C15 | H151 | H152 | 118.5° | 120.0° |
| C10 | C15 | C14 | H141 | 175.9° | 180.0° |
| C10 | C15 | C14 | H142 | 64.8° | 60.0° |
| C11 | C12 | C13 | H121 | 120.3° | 120.0° |
| C11 | C12 | C13 | H122 | 120.3° | 120.0° |
| C11 | C12 | C13 | C14 | 54.2° | 60.0° |
| C12 | C11 | C10 | H10 | 63.1° | 60.0° |
| C12 | C11 | H111 | H112 | 118.3° | 119.9° |
| C11 | C12 | H121 | H122 | 119.0° | 120.0° |
| C11 | C12 | C13 | H131 | 66.1° | 60.0° |
| C11 | C12 | C13 | H132 | 174.4° | 180.0° |
| C12 | C13 | C14 | H131 | 120.2° | 120.0° |
| C12 | C13 | C14 | H132 | 120.2° | 120.0° |
| C12 | C13 | C14 | C15 | 54.4° | 60.0° |
| C13 | C12 | C11 | H111 | 65.3° | 60.0° |
| C13 | C12 | C11 | H112 | 175.8° | 180.0° |
| C13 | C12 | H121 | H122 | 119.1° | 120.0° |
| C12 | C13 | H131 | H132 | 119.3° | 120.0° |
| C12 | C13 | C14 | H141 | 174.7° | 180.0° |
| C12 | C13 | C14 | H142 | 65.9° | 60.1° |
| C13 | C14 | C15 | H141 | 120.3° | 120.0° |
| C13 | C14 | C15 | H142 | 120.3° | 119.9° |
| C13 | C14 | C15 | H151 | 176.0° | 180.0° |
| C13 | C14 | C15 | H152 | 65.0° | 60.0° |
| C14 | C13 | C12 | H121 | 174.5° | 180.0° |
| C14 | C13 | C12 | H122 | 66.1° | 60.0° |
| C14 | C13 | H131 | H132 | 119.4° | 120.0° |
| C13 | C14 | H141 | H142 | 119.1° | 119.9° |
| C14 | C15 | C10 | H10 | 63.1° | 60.0° |
| C14 | C15 | H151 | H152 | 118.5° | 120.0° |
| C15 | C14 | C13 | H131 | 65.8° | 60.0° |
| C15 | C14 | C13 | H132 | 174.6° | 180.0° |
| C15 | C14 | H141 | H142 | 119.0° | 120.1° |
| C17 | C16 | C20 | H16 | 121.8° | 120.0° |
| C16 | C17 | O18 | O19 | 177.6° | 180.0° |
| C17 | C16 | C20 | C21 | 68.1° | 175.0° |
| C17 | C16 | N5 | H5 | 119.1° | 95.0° |
| C17 | C16 | C20 | H201 | 171.5° | 65.0° |
| C17 | C16 | C20 | H202 | 52.3° | 55.0° |
| C16 | C17 | O19 | H19 | 177.9° | 180.0° |
| C20 | C16 | C17 | O18 | 78.5° | 120.0° |
| C20 | C16 | C17 | O19 | 103.8° | 60.0° |
| C16 | C20 | C21 | H201 | 120.4° | 120.0° |
| C16 | C20 | C21 | H202 | 120.4° | 119.9° |
| C16 | C20 | C21 | C22 | 179.0° | 180.0° |
| C20 | C16 | N5 | H5 | 2.6° | 25.0° |
| C16 | C20 | H201 | H202 | 118.8° | 120.0° |
| C16 | C20 | C21 | H211 | 60.3° | 60.0° |
| C16 | C20 | C21 | H212 | 58.3° | 60.0° |
| O18 | C17 | C16 | H16 | 159.7° | 120.0° |
| O18 | C17 | O19 | H19 | 0.0° | 0.1° |
| O19 | C17 | C16 | H16 | 18.0° | 60.0° |
| C20 | C21 | C22 | H211 | 120.7° | 120.0° |
| C20 | C21 | C22 | H212 | 120.7° | 120.0° |
| C20 | C21 | C22 | C23 | 157.0° | 180.0° |
| C21 | C20 | C16 | H16 | 53.7° | 55.0° |
| C21 | C20 | H201 | H202 | 118.8° | 120.0° |
| C20 | C21 | H211 | H212 | 117.9° | 120.0° |
| C20 | C21 | C22 | H221 | 82.5° | 60.0° |
| C20 | C21 | C22 | H222 | 36.5° | 60.0° |
| C21 | C22 | C23 | H221 | 120.5° | 120.0° |
| C21 | C22 | C23 | H222 | 120.5° | 120.0° |
| C21 | C22 | C23 | N24 | 38.0° | 180.0° |
| C22 | C21 | C20 | H201 | 58.6° | 60.0° |
| C22 | C21 | C20 | H202 | 60.6° | 60.1° |
| C22 | C21 | H211 | H212 | 117.9° | 119.9° |
| C21 | C22 | H221 | H222 | 118.4° | 120.0° |
| C21 | C22 | C23 | H231 | 158.8° | 60.0° |
| C21 | C22 | C23 | H232 | 82.8° | 60.0° |
| C22 | C23 | N24 | H231 | 120.8° | 120.0° |
| C22 | C23 | N24 | H232 | 120.8° | 120.0° |
| C23 | C22 | C21 | H211 | 36.3° | 60.0° |
| C23 | C22 | C21 | H212 | 82.3° | 60.0° |
| C23 | C22 | H221 | H222 | 118.4° | 119.9° |
| C22 | C23 | H231 | H232 | 117.5° | 120.0° |
| C22 | C23 | N24 | H241 | 180.0° | 56.1° |
| C22 | C23 | N24 | H242 | 60.0° | 180.0° |
| N24 | C23 | C22 | H221 | 82.5° | 60.0° |
| N24 | C23 | C22 | H222 | 158.5° | 60.0° |
| N24 | C23 | H231 | H232 | 117.5° | 120.0° |
| C23 | N24 | H241 | H242 | 120.0° | 123.9° |
| C26 | C25 | C27 | H25 | 113.3° | 118.8° |
| C25 | C26 | C28 | H261 | 119.0° | 118.8° |
| C25 | C26 | C28 | H262 | 119.0° | 118.8° |
| C26 | C25 | C27 | C29 | 38.5° | 33.8° |
| C26 | C25 | C27 | C31 | 67.9° | 70.3° |
| C26 | C25 | C27 | C34 | 166.2° | 160.0° |
| C25 | C26 | C28 | C29 | 34.3° | 33.8° |
| C25 | C26 | C28 | C30 | 74.5° | 70.2° |
| C26 | C25 | N8 | H8 | 30.2° | 27.2° |
| C25 | C26 | H261 | H262 | 123.0° | 122.4° |
| C25 | C26 | C28 | H28 | 158.0° | 160.1° |
| C27 | C25 | C26 | C28 | 2.8° | 0.0° |
| C25 | C27 | C29 | C31 | 112.2° | 107.1° |
| C25 | C27 | C29 | C34 | 125.2° | 126.0° |
| C25 | C27 | C31 | C34 | 127.5° | 129.3° |
| C25 | C27 | C29 | C28 | 57.7° | 53.6° |
| C25 | C27 | C29 | C32 | 176.3° | 170.3° |
| C25 | C27 | C29 | C33 | 60.8° | 63.2° |
| C25 | C27 | C31 | C30 | 69.9° | 70.3° |
| C27 | C25 | N8 | H8 | 87.3° | 88.0° |
| C27 | C25 | C26 | H261 | 121.8° | 118.8° |
| C27 | C25 | C26 | H262 | 116.1° | 118.8° |
| C25 | C27 | C31 | H311 | 49.2° | 48.5° |
| C25 | C27 | C31 | H312 | 170.9° | 170.9° |
| C25 | C27 | C34 | H341 | 180.0° | 59.0° |
| C25 | C27 | C34 | H342 | 60.0° | 179.0° |
| C25 | C27 | C34 | H343 | 60.0° | 61.0° |
| C26 | C28 | C29 | C27 | 57.0° | 53.6° |
| C26 | C28 | C29 | C30 | 112.0° | 107.1° |
| C26 | C28 | C29 | H28 | 123.9° | 126.1° |
| C26 | C28 | C30 | H28 | 127.4° | 129.3° |
| C26 | C28 | C29 | C32 | 176.3° | 170.3° |
| C26 | C28 | C29 | C33 | 62.2° | 63.2° |
| C26 | C28 | C30 | C31 | 73.7° | 70.3° |
| C28 | C26 | C25 | H25 | 110.4° | 118.8° |
| C28 | C26 | H261 | H262 | 123.0° | 122.4° |
| C26 | C28 | C30 | H301 | 167.4° | 170.9° |
| C26 | C28 | C30 | H302 | 45.2° | 48.5° |
| C29 | C27 | C31 | C34 | 126.9° | 126.6° |
| C27 | C29 | C28 | C32 | 119.3° | 116.7° |
| C27 | C29 | C28 | C33 | 119.2° | 116.7° |
| C27 | C29 | C28 | C30 | 55.0° | 53.6° |
| C27 | C29 | C32 | C33 | 127.9° | 126.7° |
| C29 | C27 | C31 | C30 | 35.7° | 33.8° |
| C29 | C27 | C25 | H25 | 74.8° | 85.0° |
| C27 | C29 | C28 | H28 | 179.1° | 179.6° |
| C29 | C27 | C31 | H311 | 154.8° | 152.6° |
| C29 | C27 | C31 | H312 | 83.4° | 85.0° |
| C29 | C27 | C34 | H341 | 61.9° | 58.9° |
| C29 | C27 | C34 | H342 | 178.1° | 61.0° |
| C29 | C27 | C34 | H343 | 58.1° | 178.9° |
| C27 | C29 | C32 | H321 | 180.0° | 60.0° |
| C27 | C29 | C32 | H322 | 60.0° | 180.0° |
| C27 | C29 | C32 | H323 | 60.0° | 59.9° |
| C27 | C29 | C33 | H331 | 180.0° | 60.0° |
| C27 | C29 | C33 | H332 | 60.0° | 180.0° |
| C27 | C29 | C33 | H333 | 60.0° | 60.0° |
| C31 | C27 | C29 | C28 | 54.5° | 53.6° |
| C27 | C31 | C30 | C28 | 0.7° | 0.0° |
| C31 | C27 | C29 | C32 | 64.1° | 63.1° |
| C31 | C27 | C29 | C33 | 173.0° | 170.3° |
| C27 | C31 | C30 | H311 | 119.1° | 118.8° |
| C27 | C31 | C30 | H312 | 119.1° | 118.8° |
| C31 | C27 | C25 | H25 | 178.8° | 170.9° |
| C27 | C31 | H311 | H312 | 122.5° | 122.4° |
| C31 | C27 | C34 | H341 | 55.5° | 177.4° |
| C31 | C27 | C34 | H342 | 64.5° | 57.4° |
| C31 | C27 | C34 | H343 | 175.5° | 62.6° |
| C27 | C31 | C30 | H301 | 119.6° | 118.8° |
| C27 | C31 | C30 | H302 | 118.2° | 118.8° |
| C34 | C27 | C29 | C28 | 177.1° | 179.6° |
| C34 | C27 | C29 | C32 | 58.5° | 63.7° |
| C34 | C27 | C29 | C33 | 64.4° | 62.9° |
| C34 | C27 | C31 | C30 | 162.6° | 160.4° |
| C34 | C27 | C25 | H25 | 52.9° | 41.2° |
| C34 | C27 | C31 | H311 | 78.3° | 80.8° |
| C34 | C27 | C31 | H312 | 43.5° | 41.6° |
| C27 | C34 | H341 | H342 | 120.0° | 120.0° |
| C27 | C34 | H341 | H343 | 120.0° | 120.0° |
| C27 | C34 | H342 | H343 | 120.0° | 120.1° |
| C29 | C28 | C30 | H28 | 124.0° | 126.6° |
| C28 | C29 | C32 | C33 | 126.2° | 126.7° |
| C29 | C28 | C30 | C31 | 34.9° | 33.8° |
| C29 | C28 | C26 | H261 | 84.7° | 85.0° |
| C29 | C28 | C26 | H262 | 153.2° | 152.6° |
| C29 | C28 | C30 | H301 | 84.0° | 85.0° |
| C29 | C28 | C30 | H302 | 153.8° | 152.6° |
| C28 | C29 | C32 | H321 | 74.1° | 166.7° |
| C28 | C29 | C32 | H322 | 45.9° | 73.4° |
| C28 | C29 | C32 | H323 | 165.9° | 46.7° |
| C28 | C29 | C33 | H331 | 74.2° | 46.6° |
| C28 | C29 | C33 | H332 | 165.8° | 73.3° |
| C28 | C29 | C33 | H333 | 45.8° | 166.7° |
| C30 | C28 | C29 | C32 | 64.3° | 63.2° |
| C30 | C28 | C29 | C33 | 174.2° | 170.3° |
| C28 | C30 | C31 | H301 | 118.9° | 118.8° |
| C28 | C30 | C31 | H302 | 118.9° | 118.8° |
| C30 | C28 | C26 | H261 | 166.5° | 171.0° |
| C30 | C28 | C26 | H262 | 44.5° | 48.5° |
| C28 | C30 | C31 | H311 | 119.8° | 118.8° |
| C28 | C30 | C31 | H312 | 118.4° | 118.8° |
| C28 | C30 | H301 | H302 | 123.1° | 122.4° |
| C32 | C29 | C28 | H28 | 59.8° | 63.6° |
| C29 | C32 | H321 | H322 | 120.0° | 120.0° |
| C29 | C32 | H321 | H323 | 120.0° | 120.0° |
| C29 | C32 | H322 | H323 | 120.0° | 120.1° |
| C32 | C29 | C33 | H331 | 52.0° | 173.3° |
| C32 | C29 | C33 | H332 | 67.9° | 53.3° |
| C32 | C29 | C33 | H333 | 172.0° | 66.7° |
| C33 | C29 | C28 | H28 | 61.7° | 62.9° |
| C33 | C29 | C32 | H321 | 52.1° | 66.7° |
| C33 | C29 | C32 | H322 | 172.1° | 53.3° |
| C33 | C29 | C32 | H323 | 67.9° | 173.4° |
| C29 | C33 | H331 | H332 | 120.0° | 120.0° |
| C29 | C33 | H331 | H333 | 120.0° | 120.0° |
| C29 | C33 | H332 | H333 | 120.0° | 120.0° |
| C31 | C30 | C28 | H28 | 158.9° | 160.4° |
| C30 | C31 | H311 | H312 | 122.5° | 122.3° |
| C31 | C30 | H301 | H302 | 123.1° | 122.4° |
| H1 | C1 | N2 | H2 | 125.1° | 144.9° |
| H1 | C1 | C9 | H91C | 74.7° | 65.0° |
| H1 | C1 | C9 | H92C | 42.4° | 175.0° |
| H91C | C9 | C10 | H10 | 167.3° | 175.0° |
| H92C | C9 | C10 | H10 | 75.7° | 65.1° |
| H8 | N8 | C25 | H25 | 150.8° | 149.6° |
| H5 | N5 | C16 | H16 | 118.8° | 145.0° |
| H16 | C16 | C20 | H201 | 66.7° | 175.0° |
| H16 | C16 | C20 | H202 | 174.1° | 65.0° |
| H25 | C25 | C26 | H261 | 8.5° | 0.0° |
| H25 | C25 | C26 | H262 | 130.6° | 122.4° |
| H10 | C10 | C11 | H111 | 176.4° | 180.0° |
| H10 | C10 | C11 | H112 | 57.5° | 60.0° |
| H10 | C10 | C15 | H151 | 57.4° | 60.0° |
| H10 | C10 | C15 | H152 | 176.4° | 180.0° |
| H111 | C11 | C12 | H121 | 55.1° | 60.0° |
| H111 | C11 | C12 | H122 | 174.4° | 180.0° |
| H112 | C11 | C12 | H121 | 63.9° | 60.0° |
| H112 | C11 | C12 | H122 | 55.5° | 60.0° |
| H151 | C15 | C14 | H141 | 63.6° | 60.0° |
| H151 | C15 | C14 | H142 | 55.7° | 60.1° |
| H152 | C15 | C14 | H141 | 55.3° | 60.0° |
| H152 | C15 | C14 | H142 | 174.7° | 180.0° |
| H121 | C12 | C13 | H131 | 54.2° | 60.0° |
| H121 | C12 | C13 | H132 | 65.3° | 60.0° |
| H122 | C12 | C13 | H131 | 173.6° | 180.0° |
| H122 | C12 | C13 | H132 | 54.1° | 60.0° |
| H131 | C13 | C14 | H141 | 54.5° | 60.0° |
| H131 | C13 | C14 | H142 | 173.9° | 180.0° |
| H132 | C13 | C14 | H141 | 65.0° | 60.0° |
| H132 | C13 | C14 | H142 | 54.3° | 60.0° |
| H201 | C20 | C21 | H211 | 179.3° | 180.0° |
| H201 | C20 | C21 | H212 | 62.1° | 60.0° |
| H202 | C20 | C21 | H211 | 60.1° | 60.0° |
| H202 | C20 | C21 | H212 | 178.7° | 180.0° |
| H211 | C21 | C22 | H221 | 156.8° | 180.0° |
| H211 | C21 | C22 | H222 | 84.2° | 60.0° |
| H212 | C21 | C22 | H221 | 38.2° | 60.0° |
| H212 | C21 | C22 | H222 | 157.2° | 180.0° |
| H221 | C22 | C23 | H231 | 38.3° | NaN° |
| H221 | C22 | C23 | H232 | 156.7° | 60.0° |
| H222 | C22 | C23 | H231 | 80.7° | 60.0° |
| H222 | C22 | C23 | H232 | 37.7° | 179.9° |
| H231 | C23 | N24 | H241 | 59.2° | 63.9° |
| H231 | C23 | N24 | H242 | 179.2° | 60.0° |
| H232 | C23 | N24 | H241 | 59.2° | 176.1° |
| H232 | C23 | N24 | H242 | 60.8° | 60.0° |
| H261 | C26 | C28 | H28 | 39.1° | 41.3° |
| H262 | C26 | C28 | H28 | 83.0° | 81.2° |
| H28 | C28 | C30 | H301 | 40.0° | 41.6° |
| H28 | C28 | C30 | H302 | 82.2° | 80.8° |
| H311 | C31 | C30 | H301 | 121.2° | 122.4° |
| H311 | C31 | C30 | H302 | 0.9° | 0.0° |
| H312 | C31 | C30 | H301 | 0.5° | 0.1° |
| H312 | C31 | C30 | H302 | 122.7° | 122.4° |
| H341 | C34 | H342 | H343 | 120.0° | 120.0° |
| H321 | C32 | H322 | H323 | 120.0° | 120.0° |
| H331 | C33 | H332 | H333 | 120.0° | 120.0° |
