JG7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL | C15 | sing | 1.74Å | 1.75Å | |
| C15 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | N16 | sing | 1.40Å | 1.41Å | |
| C19 | C30 | sing | 1.39Å | 1.39Å | Aromatic |
| N16 | C31 | sing | 1.47Å | 1.46Å | |
| N16 | C32 | sing | 1.47Å | 1.48Å | |
| C31 | C36 | sing | 1.53Å | 1.52Å | |
| C36 | N25 | sing | 1.47Å | 1.47Å | |
| C32 | C37 | sing | 1.53Å | 1.53Å | |
| C37 | N25 | sing | 1.47Å | 1.48Å | |
| N25 | C39 | sing | 1.47Å | 1.48Å | |
| C39 | C40 | sing | 1.53Å | 1.52Å | |
| C30 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | S2 | sing | 1.76Å | 1.64Å | |
| S2 | O23 | doub | 1.42Å | 1.44Å | |
| S2 | O24 | doub | 1.42Å | 1.44Å | |
| S2 | C5 | sing | 1.81Å | 1.71Å | |
| C5 | C9 | sing | 1.55Å | 1.54Å | |
| C5 | C10 | sing | 1.55Å | 1.52Å | |
| C9 | N3 | sing | 1.47Å | 1.47Å | |
| C10 | C7 | sing | 1.54Å | 1.51Å | |
| C7 | C13 | sing | 1.51Å | 1.51Å | |
| C7 | N3 | sing | 1.47Å | 1.47Å | |
| C13 | O29 | doub | 1.21Å | 1.23Å | |
| C13 | N17 | sing | 1.35Å | 1.33Å | |
| N17 | C14 | sing | 1.47Å | 1.44Å | |
| C14 | C27 | sing | 1.53Å | 1.51Å | |
| C14 | C26 | sing | 1.53Å | 1.53Å | |
| C14 | C20 | sing | 1.51Å | 1.50Å | |
| C27 | C26 | sing | 1.53Å | 1.52Å | |
| C20 | N21 | doub | 1.28Å | 1.27Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | sing | 1.35Å | 1.33Å | |
| C4 | O28 | doub | 1.21Å | 1.22Å | |
| C4 | C1 | sing | 1.51Å | 1.52Å | |
| C1 | C8 | sing | 1.53Å | 1.54Å | |
| C1 | C12 | sing | 1.53Å | 1.52Å | |
| C1 | C11 | sing | 1.53Å | 1.54Å | |
| C8 | F35 | sing | 1.40Å | 1.32Å | |
| C8 | F34 | sing | 1.40Å | 1.32Å | |
| C8 | F33 | sing | 1.40Å | 1.32Å | |
| C12 | C11 | sing | 1.53Å | 1.53Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C39 | H391 | sing | 1.09Å | 1.10Å | |
| C39 | H392 | sing | 1.09Å | 1.10Å | |
| C40 | H401 | sing | 1.09Å | 1.10Å | |
| C40 | H402 | sing | 1.09Å | 1.10Å | |
| C40 | H403 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| N17 | H17 | sing | 0.97Å | 1.00Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.09Å | 1.10Å | |
| C26 | H262 | sing | 1.09Å | 1.10Å | |
| N21 | H21 | sing | 0.97Å | 1.00Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL | C15 | C18 | 113.0° | 120.0° |
| CL | C15 | C6 | 122.2° | 120.0° |
| C18 | C15 | C6 | 124.8° | 120.0° |
| C15 | C18 | C19 | 119.7° | 120.0° |
| C15 | C18 | H18 | 120.1° | 120.0° |
| C15 | C6 | C22 | 113.8° | 120.1° |
| C15 | C6 | S2 | 123.7° | 119.9° |
| C18 | C19 | N16 | 118.7° | 120.1° |
| C18 | C19 | C30 | 118.0° | 119.8° |
| C19 | C18 | H18 | 120.1° | 120.0° |
| N16 | C19 | C30 | 123.3° | 120.1° |
| C19 | N16 | C31 | 121.8° | 111.0° |
| C19 | N16 | C32 | 120.3° | 111.0° |
| C19 | C30 | C22 | 120.6° | 119.9° |
| C19 | C30 | H30 | 119.7° | 120.0° |
| C31 | N16 | C32 | 117.8° | 110.8° |
| N16 | C31 | C36 | 110.2° | 109.4° |
| N16 | C31 | H311 | 109.3° | 109.5° |
| N16 | C31 | H312 | 109.3° | 109.5° |
| N16 | C32 | C37 | 112.5° | 109.4° |
| N16 | C32 | H321 | 108.7° | 109.4° |
| N16 | C32 | H322 | 108.7° | 109.5° |
| C31 | C36 | N25 | 110.0° | 109.4° |
| C36 | C31 | H311 | 109.3° | 109.5° |
| C36 | C31 | H312 | 109.3° | 109.5° |
| C31 | C36 | H361 | 109.4° | 109.5° |
| C31 | C36 | H362 | 109.4° | 109.5° |
| C36 | N25 | C37 | 108.8° | 110.9° |
| C36 | N25 | C39 | 110.4° | 111.0° |
| N25 | C36 | H361 | 109.4° | 109.5° |
| N25 | C36 | H362 | 109.4° | 109.4° |
| C32 | C37 | N25 | 112.8° | 109.4° |
| C37 | C32 | H321 | 108.7° | 109.4° |
| C37 | C32 | H322 | 108.7° | 109.5° |
| C32 | C37 | H371 | 108.7° | 109.5° |
| C32 | C37 | H372 | 108.6° | 109.5° |
| C37 | N25 | C39 | 109.1° | 111.0° |
| N25 | C37 | H371 | 108.6° | 109.5° |
| N25 | C37 | H372 | 108.6° | 109.5° |
| N25 | C39 | C40 | 112.8° | 109.5° |
| N25 | C39 | H391 | 108.6° | 109.5° |
| N25 | C39 | H392 | 108.6° | 109.5° |
| C40 | C39 | H391 | 108.6° | 109.5° |
| C40 | C39 | H392 | 108.7° | 109.5° |
| C39 | C40 | H401 | 109.5° | 109.5° |
| C39 | C40 | H402 | 109.5° | 109.5° |
| C39 | C40 | H403 | 109.5° | 109.5° |
| C30 | C22 | C6 | 123.0° | 120.1° |
| C30 | C22 | H22 | 118.5° | 119.9° |
| C22 | C30 | H30 | 119.7° | 120.1° |
| C22 | C6 | S2 | 122.3° | 120.0° |
| C6 | C22 | H22 | 118.5° | 119.9° |
| C6 | S2 | O23 | 111.5° | 104.3° |
| C6 | S2 | O24 | 107.9° | 104.2° |
| C6 | S2 | C5 | 106.4° | 104.4° |
| O23 | S2 | O24 | 115.1° | 121.0° |
| O23 | S2 | C5 | 107.1° | 110.6° |
| O24 | S2 | C5 | 108.4° | 110.5° |
| S2 | C5 | C9 | 114.6° | 110.9° |
| S2 | C5 | C10 | 111.3° | 111.0° |
| S2 | C5 | H5 | 107.5° | 110.9° |
| C9 | C5 | C10 | 104.2° | 101.6° |
| C5 | C9 | N3 | 104.0° | 104.8° |
| C9 | C5 | H5 | 109.5° | 111.0° |
| C5 | C9 | H91C | 110.8° | 110.4° |
| C5 | C9 | H92C | 110.8° | 110.4° |
| C5 | C10 | C7 | 104.1° | 103.0° |
| C10 | C5 | H5 | 109.7° | 111.1° |
| C5 | C10 | H101 | 110.8° | 110.7° |
| C5 | C10 | H102 | 110.8° | 110.7° |
| C9 | N3 | C7 | 111.7° | 108.7° |
| C9 | N3 | C4 | 128.8° | 125.6° |
| N3 | C9 | H91C | 110.8° | 110.4° |
| N3 | C9 | H92C | 110.8° | 110.3° |
| C10 | C7 | C13 | 111.7° | 109.9° |
| C10 | C7 | N3 | 104.6° | 107.2° |
| C7 | C10 | H101 | 110.8° | 110.8° |
| C7 | C10 | H102 | 110.8° | 110.7° |
| C10 | C7 | H7 | 108.3° | 109.9° |
| C13 | C7 | N3 | 114.7° | 109.9° |
| C7 | C13 | O29 | 122.5° | 120.0° |
| C7 | C13 | N17 | 112.0° | 120.0° |
| C13 | C7 | H7 | 108.3° | 109.9° |
| C7 | N3 | C4 | 119.4° | 125.6° |
| N3 | C7 | H7 | 108.9° | 110.0° |
| O29 | C13 | N17 | 125.5° | 120.0° |
| C13 | N17 | C14 | 124.8° | 120.0° |
| C13 | N17 | H17 | 117.6° | 120.0° |
| N17 | C14 | C27 | 116.4° | 117.5° |
| N17 | C14 | C26 | 114.5° | 117.5° |
| N17 | C14 | C20 | 115.8° | 115.5° |
| C14 | N17 | H17 | 117.6° | 120.0° |
| C27 | C14 | C26 | 59.9° | 60.0° |
| C27 | C14 | C20 | 120.4° | 117.5° |
| C14 | C27 | C26 | 60.7° | 60.0° |
| C14 | C27 | H271 | 119.9° | 117.5° |
| C14 | C27 | H272 | 119.8° | 117.5° |
| C26 | C14 | C20 | 118.2° | 117.5° |
| C14 | C26 | C27 | 59.3° | 60.0° |
| C14 | C26 | H261 | 120.1° | 117.5° |
| C14 | C26 | H262 | 120.1° | 117.5° |
| C14 | C20 | N21 | 122.8° | 120.0° |
| C14 | C20 | H20 | 118.6° | 120.0° |
| C26 | C27 | H271 | 119.9° | 117.5° |
| C26 | C27 | H272 | 119.9° | 117.5° |
| C27 | C26 | H261 | 120.1° | 117.5° |
| C27 | C26 | H262 | 120.1° | 117.5° |
| N21 | C20 | H20 | 118.6° | 120.0° |
| C20 | N21 | H21 | 112.0° | 120.0° |
| N3 | C4 | O28 | 121.1° | 120.0° |
| N3 | C4 | C1 | 121.4° | 120.0° |
| O28 | C4 | C1 | 117.5° | 120.0° |
| C4 | C1 | C8 | 115.4° | 115.6° |
| C4 | C1 | C12 | 116.3° | 117.5° |
| C4 | C1 | C11 | 117.4° | 117.5° |
| C8 | C1 | C12 | 119.8° | 117.5° |
| C8 | C1 | C11 | 116.9° | 117.5° |
| C1 | C8 | F35 | 107.4° | 109.5° |
| C1 | C8 | F34 | 111.3° | 109.5° |
| C1 | C8 | F33 | 112.0° | 109.5° |
| C12 | C1 | C11 | 60.0° | 60.0° |
| C1 | C12 | C11 | 60.8° | 60.0° |
| C1 | C12 | H121 | 119.9° | 117.5° |
| C1 | C12 | H122 | 119.9° | 117.5° |
| C1 | C11 | C12 | 59.3° | 60.0° |
| C1 | C11 | H111 | 120.1° | 117.5° |
| C1 | C11 | H112 | 120.1° | 117.5° |
| F35 | C8 | F34 | 109.1° | 109.5° |
| F35 | C8 | F33 | 109.0° | 109.4° |
| F34 | C8 | F33 | 108.1° | 109.5° |
| C11 | C12 | H121 | 119.9° | 117.5° |
| C11 | C12 | H122 | 119.9° | 117.5° |
| C12 | C11 | H111 | 120.1° | 117.5° |
| C12 | C11 | H112 | 120.1° | 117.5° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.4° | 109.5° |
| H371 | C37 | H372 | 109.5° | 109.5° |
| H391 | C39 | H392 | 109.5° | 109.4° |
| H401 | C40 | H402 | 109.5° | 109.4° |
| H401 | C40 | H403 | 109.5° | 109.5° |
| H402 | C40 | H403 | 109.4° | 109.4° |
| H91C | C9 | H92C | 109.5° | 110.5° |
| H101 | C10 | H102 | 109.5° | 110.8° |
| H271 | C27 | H272 | 109.5° | 115.5° |
| H261 | C26 | H262 | 109.5° | 115.6° |
| H121 | C12 | H122 | 109.5° | 115.5° |
| H111 | C11 | H112 | 109.4° | 115.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL | C15 | C18 | C6 | 179.4° | 179.7° |
| CL | C15 | C18 | C19 | 178.7° | 180.0° |
| CL | C15 | C6 | C22 | 178.5° | 179.7° |
| CL | C15 | C6 | S2 | 3.5° | 0.0° |
| CL | C15 | C18 | H18 | 1.3° | 0.0° |
| C15 | C18 | C19 | H18 | 180.0° | 180.0° |
| C15 | C18 | C19 | N16 | 178.8° | 180.0° |
| C15 | C18 | C19 | C30 | 1.5° | 0.0° |
| C18 | C15 | C6 | C22 | 2.2° | 0.6° |
| C18 | C15 | C6 | S2 | 177.1° | 179.7° |
| C6 | C15 | C18 | C19 | 1.9° | 0.3° |
| C15 | C6 | C22 | C30 | 2.4° | 0.6° |
| C15 | C6 | C22 | S2 | 175.0° | 179.7° |
| C15 | C6 | S2 | O23 | 43.7° | 40.6° |
| C15 | C6 | S2 | O24 | 171.0° | 168.4° |
| C15 | C6 | S2 | C5 | 72.8° | 75.6° |
| C15 | C6 | C22 | H22 | 177.6° | 179.7° |
| C6 | C15 | C18 | H18 | 178.1° | 179.7° |
| C18 | C19 | N16 | C30 | 179.7° | 180.0° |
| C18 | C19 | N16 | C31 | 155.5° | 180.0° |
| C18 | C19 | N16 | C32 | 21.6° | 56.2° |
| C18 | C19 | C30 | C22 | 1.7° | 0.0° |
| C18 | C19 | C30 | H30 | 178.3° | 180.0° |
| C19 | N16 | C31 | C32 | 177.1° | 123.9° |
| C19 | N16 | C31 | C36 | 137.5° | 176.8° |
| C19 | N16 | C32 | C37 | 143.8° | 176.8° |
| N16 | C19 | C30 | C22 | 178.6° | 180.0° |
| N16 | C19 | C30 | H30 | 1.4° | 0.0° |
| N16 | C19 | C18 | H18 | 1.2° | 0.0° |
| C19 | N16 | C31 | H311 | 102.4° | 63.3° |
| C19 | N16 | C31 | H312 | 17.4° | 56.8° |
| C19 | N16 | C32 | H321 | 23.4° | 56.9° |
| C19 | N16 | C32 | H322 | 95.7° | 63.1° |
| C30 | C19 | N16 | C31 | 24.2° | 0.0° |
| C30 | C19 | N16 | C32 | 158.7° | 123.7° |
| C19 | C30 | C22 | H30 | 180.0° | 180.0° |
| C19 | C30 | C22 | C6 | 2.3° | 0.3° |
| C19 | C30 | C22 | H22 | 177.7° | 180.0° |
| C30 | C19 | C18 | H18 | 178.5° | 180.0° |
| N16 | C31 | C36 | H311 | 120.1° | 119.9° |
| N16 | C31 | C36 | H312 | 120.1° | 120.0° |
| N16 | C31 | C36 | N25 | 57.7° | 58.4° |
| C31 | N16 | C32 | C37 | 39.0° | 59.3° |
| N16 | C31 | H311 | H312 | 119.7° | 120.1° |
| C31 | N16 | C32 | H321 | 159.4° | 179.2° |
| C31 | N16 | C32 | H322 | 81.5° | 60.7° |
| N16 | C31 | C36 | H361 | 177.8° | 178.4° |
| N16 | C31 | C36 | H362 | 62.4° | 61.5° |
| C32 | N16 | C31 | C36 | 45.4° | 59.3° |
| N16 | C32 | C37 | H321 | 120.4° | 119.9° |
| N16 | C32 | C37 | H322 | 120.5° | 120.1° |
| N16 | C32 | C37 | N25 | 44.5° | 58.4° |
| C32 | N16 | C31 | H311 | 74.7° | 60.6° |
| C32 | N16 | C31 | H312 | 165.5° | 179.3° |
| N16 | C32 | H321 | H322 | 118.6° | 120.1° |
| N16 | C32 | C37 | H371 | 76.0° | 61.5° |
| N16 | C32 | C37 | H372 | 165.0° | 178.4° |
| C31 | C36 | N25 | H361 | 120.1° | 120.0° |
| C31 | C36 | N25 | H362 | 120.1° | 119.9° |
| C31 | C36 | N25 | C37 | 64.9° | 59.3° |
| C31 | C36 | N25 | C39 | 175.4° | 176.8° |
| C36 | C31 | H311 | H312 | 119.7° | 120.1° |
| C31 | C36 | H361 | H362 | 119.8° | 120.0° |
| C36 | N25 | C37 | C32 | 58.4° | 59.3° |
| C36 | N25 | C37 | C39 | 120.5° | 123.9° |
| C36 | N25 | C39 | C40 | 78.4° | 170.0° |
| N25 | C36 | C31 | H311 | 62.4° | 61.5° |
| N25 | C36 | C31 | H312 | 177.8° | 178.4° |
| N25 | C36 | H361 | H362 | 119.8° | 120.0° |
| C36 | N25 | C37 | H371 | 62.1° | 60.7° |
| C36 | N25 | C37 | H372 | 178.9° | 179.2° |
| C36 | N25 | C39 | H391 | 42.0° | 50.0° |
| C36 | N25 | C39 | H392 | 161.1° | 70.0° |
| C32 | C37 | N25 | H371 | 120.5° | 120.0° |
| C32 | C37 | N25 | H372 | 120.5° | 119.9° |
| C32 | C37 | N25 | C39 | 178.8° | 176.8° |
| C37 | C32 | H321 | H322 | 118.6° | 120.1° |
| C32 | C37 | H371 | H372 | 118.5° | 120.0° |
| C37 | N25 | C39 | C40 | 162.0° | 66.2° |
| N25 | C37 | C32 | H321 | 164.9° | 178.3° |
| N25 | C37 | C32 | H322 | 75.9° | 61.6° |
| C37 | N25 | C36 | H361 | 175.0° | 179.3° |
| C37 | N25 | C36 | H362 | 55.2° | 60.6° |
| N25 | C37 | H371 | H372 | 118.5° | 120.1° |
| C37 | N25 | C39 | H391 | 77.5° | 173.8° |
| C37 | N25 | C39 | H392 | 41.5° | 53.8° |
| N25 | C39 | C40 | H391 | 120.4° | 120.0° |
| N25 | C39 | C40 | H392 | 120.5° | 120.0° |
| C39 | N25 | C36 | H361 | 55.3° | 56.8° |
| C39 | N25 | C36 | H362 | 64.5° | 63.2° |
| C39 | N25 | C37 | H371 | 58.3° | 63.2° |
| C39 | N25 | C37 | H372 | 60.7° | 56.9° |
| N25 | C39 | H391 | H392 | 118.5° | 120.0° |
| N25 | C39 | C40 | H401 | 180.0° | 60.0° |
| N25 | C39 | C40 | H402 | 60.0° | 180.0° |
| N25 | C39 | C40 | H403 | 60.0° | 60.1° |
| C40 | C39 | H391 | H392 | 118.5° | 120.0° |
| C39 | C40 | H401 | H402 | 120.0° | 120.0° |
| C39 | C40 | H401 | H403 | 120.0° | 120.0° |
| C39 | C40 | H402 | H403 | 120.0° | 120.0° |
| C30 | C22 | C6 | H22 | 180.0° | 179.7° |
| C30 | C22 | C6 | S2 | 177.4° | 179.7° |
| C22 | C6 | S2 | O23 | 141.8° | 139.1° |
| C22 | C6 | S2 | O24 | 14.4° | 11.3° |
| C22 | C6 | S2 | C5 | 101.7° | 104.7° |
| C6 | C22 | C30 | H30 | 177.7° | 179.7° |
| C6 | S2 | O23 | O24 | 123.3° | 116.7° |
| C6 | S2 | O23 | C5 | 116.1° | 111.8° |
| C6 | S2 | O24 | C5 | 114.9° | 111.7° |
| C6 | S2 | C5 | C9 | 58.3° | 76.6° |
| C6 | S2 | C5 | C10 | 176.3° | 171.2° |
| S2 | C6 | C22 | H22 | 2.6° | 0.0° |
| C6 | S2 | C5 | H5 | 63.6° | 47.3° |
| O23 | S2 | O24 | C5 | 119.9° | 131.5° |
| O23 | S2 | C5 | C9 | 177.7° | 35.1° |
| O23 | S2 | C5 | C10 | 64.4° | 77.1° |
| O23 | S2 | C5 | H5 | 55.8° | 159.0° |
| O24 | S2 | C5 | C9 | 57.5° | 171.9° |
| O24 | S2 | C5 | C10 | 60.5° | 59.7° |
| O24 | S2 | C5 | H5 | 179.4° | 64.3° |
| S2 | C5 | C9 | C10 | 121.9° | 118.1° |
| S2 | C5 | C9 | H5 | 120.8° | 123.8° |
| S2 | C5 | C10 | H5 | 118.8° | 123.8° |
| S2 | C5 | C9 | N3 | 96.1° | 155.0° |
| S2 | C5 | C10 | C7 | 90.1° | 153.5° |
| S2 | C5 | C9 | H91C | 144.8° | 86.1° |
| S2 | C5 | C9 | H92C | 23.0° | 36.3° |
| S2 | C5 | C10 | H101 | 29.1° | 35.1° |
| S2 | C5 | C10 | H102 | 150.8° | 88.1° |
| C9 | C5 | C10 | H5 | 117.2° | 118.1° |
| C5 | C9 | N3 | H91C | 119.1° | 118.8° |
| C5 | C9 | N3 | H92C | 119.1° | 118.8° |
| C9 | C5 | C10 | C7 | 34.0° | 35.5° |
| C5 | C9 | N3 | C7 | 8.0° | 24.1° |
| C5 | C9 | N3 | C4 | 168.6° | 155.8° |
| C5 | C9 | H91C | H92C | 122.6° | 122.3° |
| C9 | C5 | C10 | H101 | 153.1° | 82.9° |
| C9 | C5 | C10 | H102 | 85.2° | 153.9° |
| C10 | C5 | C9 | N3 | 25.8° | 37.0° |
| C5 | C10 | C7 | H101 | 119.1° | 118.4° |
| C5 | C10 | C7 | H102 | 119.1° | 118.3° |
| C5 | C10 | C7 | C13 | 153.7° | 97.2° |
| C5 | C10 | C7 | N3 | 29.0° | 22.2° |
| C10 | C5 | C9 | H91C | 93.3° | 155.8° |
| C10 | C5 | C9 | H92C | 144.9° | 81.8° |
| C5 | C10 | H101 | H102 | 122.5° | 123.2° |
| C5 | C10 | C7 | H7 | 87.1° | 141.8° |
| C9 | N3 | C7 | C10 | 13.1° | 1.0° |
| C9 | N3 | C7 | C13 | 135.9° | 120.4° |
| C9 | N3 | C7 | C4 | 177.0° | 179.9° |
| C9 | N3 | C4 | O28 | 178.4° | 4.1° |
| C9 | N3 | C4 | C1 | 3.8° | 175.8° |
| N3 | C9 | C5 | H5 | 143.1° | 81.2° |
| N3 | C9 | H91C | H92C | 122.5° | 122.3° |
| C9 | N3 | C7 | H7 | 102.5° | 118.4° |
| C10 | C7 | C13 | N3 | 118.9° | 117.8° |
| C10 | C7 | C13 | H7 | 119.2° | 121.0° |
| C10 | C7 | N3 | H7 | 115.6° | 119.5° |
| C10 | C7 | C13 | O29 | 68.9° | 118.5° |
| C10 | C7 | C13 | N17 | 112.2° | 61.5° |
| C10 | C7 | N3 | C4 | 169.9° | 178.8° |
| C7 | C10 | C5 | H5 | 151.1° | 82.6° |
| C7 | C10 | H101 | H102 | 122.5° | 123.3° |
| C13 | C7 | N3 | H7 | 121.6° | 121.1° |
| C7 | C13 | O29 | N17 | 178.8° | 180.0° |
| C7 | C13 | N17 | C14 | 175.9° | 180.0° |
| C13 | C7 | N3 | C4 | 47.1° | 59.4° |
| C13 | C7 | C10 | H101 | 87.2° | 144.4° |
| C13 | C7 | C10 | H102 | 34.6° | 21.1° |
| C7 | C13 | N17 | H17 | 4.1° | 0.1° |
| N3 | C7 | C13 | O29 | 50.0° | 0.8° |
| N3 | C7 | C13 | N17 | 128.9° | 179.3° |
| C7 | N3 | C4 | O28 | 2.0° | 175.8° |
| C7 | N3 | C4 | C1 | 179.8° | 4.3° |
| C7 | N3 | C9 | H91C | 111.1° | 142.9° |
| C7 | N3 | C9 | H92C | 127.1° | 94.7° |
| N3 | C7 | C10 | H101 | 148.1° | 96.2° |
| N3 | C7 | C10 | H102 | 90.1° | 140.5° |
| O29 | C13 | N17 | C14 | 3.0° | 0.0° |
| O29 | C13 | C7 | H7 | 171.9° | 120.4° |
| O29 | C13 | N17 | H17 | 177.0° | 180.0° |
| C13 | N17 | C14 | H17 | 180.0° | 179.9° |
| C13 | N17 | C14 | C27 | 125.0° | 180.0° |
| C13 | N17 | C14 | C26 | 57.9° | 111.4° |
| C13 | N17 | C14 | C20 | 84.9° | 34.3° |
| N17 | C13 | C7 | H7 | 7.0° | 59.5° |
| N17 | C14 | C27 | C26 | 104.4° | 107.5° |
| N17 | C14 | C27 | C20 | 148.6° | 145.0° |
| N17 | C14 | C26 | C20 | 141.9° | 145.0° |
| N17 | C14 | C20 | N21 | 176.9° | 25.6° |
| N17 | C14 | C20 | H20 | 3.1° | 154.4° |
| N17 | C14 | C27 | H271 | 5.3° | 0.0° |
| N17 | C14 | C27 | H272 | 145.9° | 145.0° |
| N17 | C14 | C26 | H261 | 143.2° | 145.0° |
| N17 | C14 | C26 | H262 | 1.8° | 0.0° |
| C27 | C14 | C26 | C20 | 110.6° | 107.5° |
| C14 | C27 | C26 | H271 | 109.7° | 107.5° |
| C14 | C27 | C26 | H272 | 109.6° | 107.5° |
| C27 | C14 | C20 | N21 | 34.3° | 120.1° |
| C27 | C14 | C20 | H20 | 145.7° | 59.9° |
| C27 | C14 | N17 | H17 | 54.9° | 0.0° |
| C14 | C27 | H271 | H272 | 144.3° | 145.7° |
| C27 | C14 | C26 | H261 | 109.3° | 107.5° |
| C27 | C14 | C26 | H262 | 109.3° | 107.5° |
| C26 | C14 | C20 | N21 | 35.5° | 171.3° |
| C26 | C14 | C20 | H20 | 144.5° | 8.7° |
| C26 | C14 | N17 | H17 | 122.1° | 68.7° |
| C14 | C26 | H261 | H262 | 145.1° | 145.7° |
| C14 | C20 | N21 | H20 | 180.0° | 180.0° |
| C20 | C14 | N17 | H17 | 95.1° | 145.6° |
| C20 | C14 | C27 | H271 | 143.2° | 145.0° |
| C20 | C14 | C27 | H272 | 2.6° | 0.0° |
| C20 | C14 | C26 | H261 | 1.3° | 0.0° |
| C20 | C14 | C26 | H262 | 140.1° | 145.0° |
| C14 | C20 | N21 | H21 | 180.0° | 180.0° |
| C26 | C27 | H271 | H272 | 144.4° | 145.7° |
| C27 | C26 | H261 | H262 | 145.1° | 145.7° |
| H20 | C20 | N21 | H21 | 0.0° | 0.0° |
| N3 | C4 | O28 | C1 | 177.9° | 179.9° |
| N3 | C4 | C1 | C8 | 82.6° | 57.2° |
| N3 | C4 | C1 | C12 | 129.5° | 157.1° |
| N3 | C4 | C1 | C11 | 61.4° | 88.4° |
| C4 | N3 | C9 | H91C | 72.2° | 37.0° |
| C4 | N3 | C9 | H92C | 49.5° | 85.4° |
| C4 | N3 | C7 | H7 | 74.5° | 61.7° |
| O28 | C4 | C1 | C8 | 95.3° | 122.6° |
| O28 | C4 | C1 | C12 | 52.6° | 23.1° |
| O28 | C4 | C1 | C11 | 120.7° | 91.7° |
| C4 | C1 | C8 | C12 | 146.7° | 145.7° |
| C4 | C1 | C8 | C11 | 144.2° | 145.7° |
| C4 | C1 | C12 | C11 | 107.9° | 107.5° |
| C4 | C1 | C8 | F35 | 60.9° | 75.1° |
| C4 | C1 | C8 | F34 | 179.8° | 164.9° |
| C4 | C1 | C8 | F33 | 58.7° | 44.8° |
| C4 | C1 | C12 | H121 | 1.9° | 0.1° |
| C4 | C1 | C12 | H122 | 142.5° | 145.0° |
| C4 | C1 | C11 | H111 | 144.6° | 145.0° |
| C4 | C1 | C11 | H112 | 3.2° | 0.0° |
| C8 | C1 | C12 | C11 | 105.7° | 107.5° |
| C1 | C8 | F35 | F34 | 120.8° | 120.0° |
| C1 | C8 | F35 | F33 | 121.5° | 120.0° |
| C1 | C8 | F34 | F33 | 123.4° | 120.0° |
| C8 | C1 | C12 | H121 | 144.6° | 145.0° |
| C8 | C1 | C12 | H122 | 4.0° | 0.0° |
| C8 | C1 | C11 | H111 | 1.2° | 0.0° |
| C8 | C1 | C11 | H112 | 140.2° | 145.0° |
| C12 | C1 | C8 | F35 | 85.9° | 139.2° |
| C12 | C1 | C8 | F34 | 33.5° | 19.2° |
| C12 | C1 | C8 | F33 | 154.6° | 100.9° |
| C1 | C12 | C11 | H121 | 109.7° | 107.5° |
| C1 | C12 | C11 | H122 | 109.7° | 107.5° |
| C1 | C12 | H121 | H122 | 144.3° | 145.7° |
| C12 | C1 | C11 | H111 | 109.3° | 107.5° |
| C12 | C1 | C11 | H112 | 109.3° | 107.5° |
| C11 | C1 | C8 | F35 | 155.0° | 70.5° |
| C11 | C1 | C8 | F34 | 35.6° | 49.5° |
| C11 | C1 | C8 | F33 | 85.5° | 169.5° |
| C1 | C11 | H111 | H112 | 145.1° | 145.7° |
| F35 | C8 | F34 | F33 | 118.3° | 119.9° |
| C11 | C12 | H121 | H122 | 144.3° | 145.7° |
| C12 | C11 | H111 | H112 | 145.1° | 145.7° |
| H22 | C22 | C30 | H30 | 2.3° | 0.0° |
| H311 | C31 | C36 | H361 | 57.7° | 58.5° |
| H311 | C31 | C36 | H362 | 177.5° | 178.5° |
| H312 | C31 | C36 | H361 | 62.1° | 61.6° |
| H312 | C31 | C36 | H362 | 57.7° | 58.5° |
| H321 | C32 | C37 | H371 | 44.4° | 58.4° |
| H321 | C32 | C37 | H372 | 74.6° | 61.7° |
| H322 | C32 | C37 | H371 | 163.6° | 178.4° |
| H322 | C32 | C37 | H372 | 44.6° | 58.3° |
| H391 | C39 | C40 | H401 | 59.6° | 60.0° |
| H391 | C39 | C40 | H402 | 179.6° | 60.0° |
| H391 | C39 | C40 | H403 | 60.5° | 180.0° |
| H392 | C39 | C40 | H401 | 59.5° | 180.0° |
| H392 | C39 | C40 | H402 | 60.5° | 60.0° |
| H392 | C39 | C40 | H403 | 179.5° | 60.0° |
| H401 | C40 | H402 | H403 | 120.0° | 120.0° |
| H5 | C5 | C9 | H91C | 24.0° | 37.7° |
| H5 | C5 | C9 | H92C | 97.8° | 160.1° |
| H5 | C5 | C10 | H101 | 89.7° | 158.9° |
| H5 | C5 | C10 | H102 | 32.0° | 35.7° |
| H101 | C10 | C7 | H7 | 32.1° | 23.4° |
| H102 | C10 | C7 | H7 | 153.8° | 99.9° |
| H271 | C27 | C26 | H261 | 141.1° | 145.0° |
| H271 | C27 | C26 | H262 | 0.4° | 0.0° |
| H272 | C27 | C26 | H261 | 0.4° | 0.0° |
| H272 | C27 | C26 | H262 | 141.1° | 145.0° |
| H121 | C12 | C11 | H111 | 141.1° | 145.0° |
| H121 | C12 | C11 | H112 | 0.4° | 0.0° |
| H122 | C12 | C11 | H111 | 0.4° | 0.0° |
| H122 | C12 | C11 | H112 | 141.0° | 145.0° |
