G15
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O26 | C23 | doub | 1.23Å | 1.23Å | |
| C23 | N25 | sing | 1.39Å | 1.36Å | |
| C23 | C22 | sing | 1.51Å | 1.54Å | |
| N25 | C27 | sing | 1.46Å | 1.47Å | |
| N25 | C28 | sing | 1.47Å | 1.46Å | |
| C27 | H271 | sing | 1.09Å | 1.11Å | |
| C27 | H272 | sing | 1.10Å | 1.12Å | |
| C27 | C29 | sing | 1.52Å | 1.53Å | |
| C29 | H291 | sing | 1.09Å | 1.12Å | |
| C29 | H292 | sing | 1.10Å | 1.12Å | |
| C29 | O31 | sing | 1.43Å | 1.43Å | |
| O31 | C30 | sing | 1.43Å | 1.42Å | |
| C30 | H301 | sing | 1.10Å | 1.11Å | |
| C30 | H302 | sing | 1.09Å | 1.11Å | |
| C30 | C28 | sing | 1.52Å | 1.53Å | |
| C28 | H281 | sing | 1.10Å | 1.11Å | |
| C28 | H282 | sing | 1.09Å | 1.11Å | |
| C22 | H22 | sing | 1.09Å | 1.11Å | |
| C22 | C24 | sing | 1.51Å | 1.54Å | |
| C22 | N19 | sing | 1.45Å | 1.47Å | |
| C24 | H241 | sing | 1.10Å | 1.11Å | |
| C24 | H242 | sing | 1.10Å | 1.12Å | |
| C24 | H243 | sing | 1.10Å | 1.12Å | |
| N19 | C21 | sing | 1.44Å | 1.46Å | |
| N19 | C17 | sing | 1.39Å | 1.34Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C21 | C18 | sing | 1.52Å | 1.53Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.10Å | 1.12Å | |
| C18 | C16 | sing | 1.52Å | 1.53Å | |
| C17 | O20 | doub | 1.22Å | 1.21Å | |
| C17 | C16 | sing | 1.51Å | 1.52Å | |
| C16 | N13 | sing | 1.47Å | 1.46Å | |
| C16 | H16 | sing | 1.09Å | 1.12Å | |
| N13 | S11 | sing | 1.70Å | 1.64Å | |
| N13 | H13 | sing | 1.03Å | 1.02Å | |
| S11 | O15 | doub | 1.45Å | 1.43Å | |
| S11 | C7 | sing | 1.77Å | 1.73Å | |
| S11 | O14 | doub | 1.45Å | 1.44Å | |
| C7 | N2 | doub | 1.30Å | 1.31Å | Aromatic |
| C7 | N1 | sing | 1.33Å | 1.34Å | Aromatic |
| N2 | N3 | sing | 1.34Å | 1.36Å | Aromatic |
| N3 | C1 | sing | 1.36Å | 1.40Å | Aromatic |
| N3 | H3 | sing | 1.01Å | 1.02Å | |
| N1 | C1 | doub | 1.31Å | 1.39Å | Aromatic |
| C1 | C2 | sing | 1.41Å | 1.49Å | Aromatic |
| C2 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | S6 | sing | 1.72Å | 1.71Å | Aromatic |
| C5 | C9 | sing | 1.43Å | 1.42Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C9 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.10Å | |
| C10 | S6 | sing | 1.71Å | 1.69Å | Aromatic |
| C10 | CL | sing | 1.71Å | 1.72Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O26 | C23 | N25 | 120.6° | 124.1° |
| O26 | C23 | C22 | 119.0° | 119.4° |
| N25 | C23 | C22 | 120.4° | 116.5° |
| C23 | N25 | C27 | 117.9° | 120.0° |
| C23 | N25 | C28 | 126.8° | 125.4° |
| C23 | C22 | H22 | 105.1° | 108.5° |
| C23 | C22 | C24 | 112.2° | 110.8° |
| C23 | C22 | N19 | 113.5° | 104.4° |
| C27 | N25 | C28 | 115.3° | 114.3° |
| N25 | C27 | H271 | 112.0° | 111.2° |
| N25 | C27 | H272 | 112.0° | 106.5° |
| N25 | C27 | C29 | 110.0° | 110.4° |
| N25 | C28 | C30 | 110.0° | 110.2° |
| N25 | C28 | H281 | 112.0° | 106.4° |
| N25 | C28 | H282 | 112.0° | 111.3° |
| H271 | C27 | H272 | 98.4° | 108.1° |
| H271 | C27 | C29 | 112.0° | 110.5° |
| H272 | C27 | C29 | 112.0° | 110.1° |
| C27 | C29 | H291 | 112.9° | 110.1° |
| C27 | C29 | H292 | 112.9° | 111.3° |
| C27 | C29 | O31 | 107.6° | 110.2° |
| H291 | C29 | H292 | 97.5° | 107.9° |
| H291 | C29 | O31 | 112.9° | 108.0° |
| H292 | C29 | O31 | 112.9° | 109.3° |
| C29 | O31 | C30 | 112.3° | 111.0° |
| O31 | C30 | H301 | 112.8° | 109.2° |
| O31 | C30 | H302 | 112.8° | 107.9° |
| O31 | C30 | C28 | 107.8° | 110.4° |
| H301 | C30 | H302 | 97.6° | 107.9° |
| H301 | C30 | C28 | 112.8° | 111.3° |
| H302 | C30 | C28 | 112.8° | 110.1° |
| C30 | C28 | H281 | 112.0° | 110.2° |
| C30 | C28 | H282 | 112.0° | 110.5° |
| H281 | C28 | H282 | 98.4° | 108.1° |
| H22 | C22 | C24 | 108.1° | 111.9° |
| H22 | C22 | N19 | 106.7° | 108.6° |
| C24 | C22 | N19 | 110.8° | 112.3° |
| C22 | C24 | H241 | 111.2° | 111.8° |
| C22 | C24 | H242 | 111.2° | 110.3° |
| C22 | C24 | H243 | 112.2° | 111.1° |
| C22 | N19 | C21 | 127.2° | 121.4° |
| C22 | N19 | C17 | 120.2° | 125.3° |
| H241 | C24 | H242 | 99.1° | 107.5° |
| H241 | C24 | H243 | 111.2° | 107.6° |
| H242 | C24 | H243 | 111.2° | 108.4° |
| C21 | N19 | C17 | 112.7° | 112.9° |
| N19 | C21 | H211 | 115.5° | 110.6° |
| N19 | C21 | H212 | 115.5° | 108.4° |
| N19 | C21 | C18 | 100.9° | 103.4° |
| N19 | C17 | O20 | 121.3° | 128.0° |
| N19 | C17 | C16 | 108.1° | 107.1° |
| H211 | C21 | H212 | 95.0° | 110.0° |
| H211 | C21 | C18 | 115.5° | 112.3° |
| H212 | C21 | C18 | 115.5° | 112.0° |
| C21 | C18 | H181 | 115.4° | 112.4° |
| C21 | C18 | H182 | 115.3° | 109.0° |
| C21 | C18 | C16 | 101.3° | 104.3° |
| H181 | C18 | H182 | 95.1° | 107.9° |
| H181 | C18 | C16 | 115.3° | 114.1° |
| H182 | C18 | C16 | 115.3° | 109.1° |
| C18 | C16 | C17 | 101.4° | 104.1° |
| C18 | C16 | N13 | 114.0° | 111.4° |
| C18 | C16 | H16 | 116.9° | 112.4° |
| O20 | C17 | C16 | 130.6° | 124.8° |
| C17 | C16 | N13 | 120.9° | 106.8° |
| C17 | C16 | H16 | 109.3° | 111.5° |
| N13 | C16 | H16 | 95.3° | 110.4° |
| C16 | N13 | S11 | 117.3° | 120.1° |
| C16 | N13 | H13 | 109.4° | 115.9° |
| S11 | N13 | H13 | 109.4° | 119.0° |
| N13 | S11 | O15 | 104.1° | 109.1° |
| N13 | S11 | C7 | 110.4° | 101.8° |
| N13 | S11 | O14 | 107.5° | 109.3° |
| O15 | S11 | C7 | 107.5° | 106.9° |
| O15 | S11 | O14 | 122.0° | 120.2° |
| C7 | S11 | O14 | 105.1° | 108.0° |
| S11 | C7 | N2 | 121.6° | 120.1° |
| S11 | C7 | N1 | 124.9° | 119.7° |
| N2 | C7 | N1 | 113.2° | 120.2° |
| C7 | N2 | N3 | 109.2° | 98.7° |
| C7 | N1 | C1 | 103.0° | 100.2° |
| N2 | N3 | C1 | 104.2° | 111.2° |
| N2 | N3 | H3 | 114.2° | 119.2° |
| C1 | N3 | H3 | 114.2° | 129.6° |
| N3 | C1 | N1 | 110.3° | 109.6° |
| N3 | C1 | C2 | 125.1° | 124.2° |
| N1 | C1 | C2 | 124.5° | 126.2° |
| C1 | C2 | C5 | 120.4° | 127.4° |
| C1 | C2 | S6 | 123.5° | 120.9° |
| C5 | C2 | S6 | 116.0° | 111.6° |
| C2 | C5 | C9 | 109.8° | 112.3° |
| C2 | C5 | H5 | 124.5° | 123.7° |
| C2 | S6 | C10 | 88.6° | 92.0° |
| C9 | C5 | H5 | 125.8° | 124.0° |
| C5 | C9 | C10 | 110.0° | 112.0° |
| C5 | C9 | H9 | 125.2° | 124.2° |
| C10 | C9 | H9 | 124.9° | 123.7° |
| C9 | C10 | S6 | 115.7° | 112.1° |
| C9 | C10 | CL | 123.5° | 127.8° |
| S6 | C10 | CL | 120.8° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O26 | C23 | N25 | C22 | 179.0° | 179.8° |
| O26 | C23 | N25 | C27 | 4.8° | 0.0° |
| O26 | C23 | N25 | C28 | 174.3° | 173.8° |
| O26 | C23 | C22 | H22 | 128.5° | 150.0° |
| O26 | C23 | C22 | C24 | 114.2° | 26.9° |
| O26 | C23 | C22 | N19 | 12.3° | 94.3° |
| C23 | N25 | C27 | C28 | 179.3° | 174.5° |
| C23 | N25 | C27 | H271 | 4.3° | 12.1° |
| C23 | N25 | C27 | H272 | 105.1° | 105.4° |
| C23 | N25 | C27 | C29 | 129.6° | 135.1° |
| C23 | N25 | C28 | C30 | 129.6° | 135.7° |
| C23 | N25 | C28 | H281 | 105.2° | 104.8° |
| C23 | N25 | C28 | H282 | 4.3° | 12.8° |
| N25 | C23 | C22 | H22 | 50.5° | 30.1° |
| N25 | C23 | C22 | C24 | 66.8° | 153.3° |
| N25 | C23 | C22 | N19 | 166.7° | 85.6° |
| C22 | C23 | N25 | C27 | 176.2° | 179.8° |
| C22 | C23 | N25 | C28 | 4.6° | 6.3° |
| C23 | C22 | H22 | C24 | 120.0° | 122.5° |
| C23 | C22 | H22 | N19 | 120.8° | 112.9° |
| C23 | C22 | C24 | N19 | 127.9° | 116.3° |
| C23 | C22 | C24 | H241 | 54.7° | 0.5° |
| C23 | C22 | C24 | H242 | 54.7° | 119.1° |
| C23 | C22 | C24 | H243 | 180.0° | 120.7° |
| C23 | C22 | N19 | C21 | 81.7° | 56.6° |
| C23 | C22 | N19 | C17 | 98.3° | 115.6° |
| N25 | C27 | H271 | H272 | 117.9° | 116.5° |
| N25 | C27 | H271 | C29 | 124.2° | 122.9° |
| N25 | C27 | H272 | C29 | 124.2° | 119.7° |
| N25 | C27 | C29 | H291 | 70.8° | 173.8° |
| N25 | C27 | C29 | H292 | 179.8° | 66.6° |
| N25 | C27 | C29 | O31 | 54.5° | 54.8° |
| C27 | N25 | C28 | C30 | 49.6° | 50.1° |
| C27 | N25 | C28 | H281 | 75.7° | 69.4° |
| C27 | N25 | C28 | H282 | 174.9° | 173.1° |
| C28 | N25 | C27 | H271 | 174.9° | 173.4° |
| C28 | N25 | C27 | H272 | 75.6° | 69.1° |
| C28 | N25 | C27 | C29 | 49.7° | 50.4° |
| N25 | C28 | C30 | O31 | 54.8° | 54.4° |
| N25 | C28 | C30 | H301 | 179.9° | 67.1° |
| N25 | C28 | C30 | H302 | 70.5° | 173.3° |
| N25 | C28 | C30 | H281 | 125.2° | 117.2° |
| N25 | C28 | C30 | H282 | 125.3° | 123.4° |
| N25 | C28 | H281 | H282 | 118.0° | 119.7° |
| H271 | C27 | H272 | C29 | 117.9° | 120.8° |
| H271 | C27 | C29 | H291 | 54.5° | 62.8° |
| H271 | C27 | C29 | H292 | 54.9° | 56.7° |
| H271 | C27 | C29 | O31 | 179.8° | 178.1° |
| H272 | C27 | C29 | H291 | 164.0° | 56.5° |
| H272 | C27 | C29 | H292 | 54.6° | 176.1° |
| H272 | C27 | C29 | O31 | 70.7° | 62.5° |
| C27 | C29 | H291 | H292 | 118.8° | 121.7° |
| C27 | C29 | H291 | O31 | 122.3° | 120.4° |
| C27 | C29 | H292 | O31 | 122.3° | 122.0° |
| C27 | C29 | O31 | C30 | 65.9° | 61.7° |
| H291 | C29 | H292 | O31 | 118.8° | 117.1° |
| H291 | C29 | O31 | C30 | 59.4° | 178.0° |
| H292 | C29 | O31 | C30 | 168.8° | 61.0° |
| C29 | O31 | C30 | H301 | 168.7° | 61.2° |
| C29 | O31 | C30 | H302 | 59.2° | 178.1° |
| C29 | O31 | C30 | C28 | 66.0° | 61.6° |
| O31 | C30 | H301 | H302 | 118.7° | 117.0° |
| O31 | C30 | H301 | C28 | 122.5° | 122.2° |
| O31 | C30 | H302 | C28 | 122.5° | 120.5° |
| O31 | C30 | C28 | H281 | 70.4° | 62.8° |
| O31 | C30 | C28 | H282 | 179.9° | 177.8° |
| H301 | C30 | H302 | C28 | 118.7° | 121.7° |
| H301 | C30 | C28 | H281 | 54.8° | 175.7° |
| H301 | C30 | C28 | H282 | 54.6° | 56.3° |
| H302 | C30 | C28 | H281 | 164.3° | 56.2° |
| H302 | C30 | C28 | H282 | 54.8° | 63.2° |
| C30 | C28 | H281 | H282 | 117.9° | 120.8° |
| H22 | C22 | C24 | N19 | 116.6° | 122.5° |
| H22 | C22 | C24 | H241 | 60.7° | 121.7° |
| H22 | C22 | C24 | H242 | 170.2° | 2.1° |
| H22 | C22 | C24 | H243 | 64.5° | 118.1° |
| H22 | C22 | N19 | C21 | 163.0° | 172.1° |
| H22 | C22 | N19 | C17 | 17.0° | 0.0° |
| C22 | C24 | H241 | H242 | 117.1° | 121.2° |
| C22 | C24 | H241 | H243 | 125.8° | 122.3° |
| C22 | C24 | H242 | H243 | 125.8° | 121.8° |
| C24 | C22 | N19 | C21 | 45.5° | 63.6° |
| C24 | C22 | N19 | C17 | 134.5° | 124.3° |
| N19 | C22 | C24 | H241 | 177.3° | 115.9° |
| N19 | C22 | C24 | H242 | 73.2° | 124.6° |
| N19 | C22 | C24 | H243 | 52.1° | 4.4° |
| C22 | N19 | C21 | C17 | 180.0° | 173.1° |
| C22 | N19 | C21 | H211 | 81.3° | 47.3° |
| C22 | N19 | C21 | H212 | 28.2° | 73.4° |
| C22 | N19 | C21 | C18 | 153.4° | 167.6° |
| C22 | N19 | C17 | O20 | 3.1° | 2.5° |
| C22 | N19 | C17 | C16 | 176.5° | 175.1° |
| H241 | C24 | H242 | H243 | 117.1° | 116.0° |
| N19 | C21 | H211 | H212 | 121.3° | 119.7° |
| N19 | C21 | H211 | C18 | 117.4° | 114.9° |
| N19 | C21 | H212 | C18 | 117.3° | 113.4° |
| N19 | C21 | C18 | H181 | 162.8° | 151.9° |
| N19 | C21 | C18 | H182 | 87.7° | 88.5° |
| N19 | C21 | C18 | C16 | 37.5° | 27.8° |
| C21 | N19 | C17 | O20 | 176.9° | 175.2° |
| C21 | N19 | C17 | C16 | 3.5° | 2.4° |
| C17 | N19 | C21 | H211 | 98.7° | 139.7° |
| C17 | N19 | C21 | H212 | 151.8° | 99.7° |
| C17 | N19 | C21 | C18 | 26.6° | 19.3° |
| N19 | C17 | C16 | C18 | 21.2° | 15.6° |
| N19 | C17 | O20 | C16 | 179.6° | 177.2° |
| N19 | C17 | C16 | N13 | 148.3° | 102.3° |
| N19 | C17 | C16 | H16 | 102.9° | 137.0° |
| H211 | C21 | H212 | C18 | 121.3° | 125.6° |
| H211 | C21 | C18 | H181 | 37.6° | 88.9° |
| H211 | C21 | C18 | H182 | 147.1° | 30.6° |
| H211 | C21 | C18 | C16 | 87.7° | 147.0° |
| H212 | C21 | C18 | H181 | 71.9° | 35.4° |
| H212 | C21 | C18 | H182 | 37.6° | 155.0° |
| H212 | C21 | C18 | C16 | 162.8° | 88.7° |
| C21 | C18 | H181 | H182 | 121.2° | 120.2° |
| C21 | C18 | H181 | C16 | 117.7° | 118.4° |
| C21 | C18 | H182 | C16 | 117.6° | 113.3° |
| C21 | C18 | C16 | C17 | 35.7° | 26.7° |
| C21 | C18 | C16 | N13 | 167.2° | 88.0° |
| C21 | C18 | C16 | H16 | 83.0° | 147.5° |
| H181 | C18 | H182 | C16 | 121.2° | 124.4° |
| H181 | C18 | C16 | C17 | 161.0° | 149.6° |
| H181 | C18 | C16 | N13 | 67.5° | 34.9° |
| H181 | C18 | C16 | H16 | 42.3° | 89.6° |
| H182 | C18 | C16 | C17 | 89.5° | 89.7° |
| H182 | C18 | C16 | N13 | 42.0° | 155.6° |
| H182 | C18 | C16 | H16 | 151.8° | 31.2° |
| C18 | C16 | C17 | O20 | 158.4° | 166.7° |
| C18 | C16 | C17 | N13 | 127.1° | 117.9° |
| C18 | C16 | C17 | H16 | 124.0° | 121.4° |
| C18 | C16 | N13 | H16 | 122.6° | 125.6° |
| C18 | C16 | N13 | S11 | 111.2° | 125.6° |
| C18 | C16 | N13 | H13 | 14.1° | 79.8° |
| O20 | C17 | C16 | N13 | 31.3° | 75.4° |
| O20 | C17 | C16 | H16 | 77.5° | 45.3° |
| C17 | C16 | N13 | H16 | 116.2° | 121.4° |
| C17 | C16 | N13 | S11 | 127.6° | 121.4° |
| C17 | C16 | N13 | H13 | 107.1° | 33.2° |
| C16 | N13 | S11 | H13 | 125.3° | 153.9° |
| C16 | N13 | S11 | O15 | 160.5° | 172.8° |
| C16 | N13 | S11 | C7 | 45.4° | 60.0° |
| C16 | N13 | S11 | O14 | 68.7° | 54.0° |
| H16 | C16 | N13 | S11 | 11.4° | 0.0° |
| H16 | C16 | N13 | H13 | 136.7° | 154.6° |
| N13 | S11 | O15 | C7 | 117.1° | 109.4° |
| N13 | S11 | O15 | O14 | 121.5° | 127.3° |
| N13 | S11 | C7 | O14 | 115.6° | 115.0° |
| N13 | S11 | C7 | N2 | 96.5° | 120.0° |
| N13 | S11 | C7 | N1 | 76.7° | 60.0° |
| H13 | N13 | S11 | O15 | 74.2° | 18.9° |
| H13 | N13 | S11 | C7 | 170.7° | 93.9° |
| H13 | N13 | S11 | O14 | 56.5° | 152.1° |
| O15 | S11 | C7 | O14 | 131.4° | 130.6° |
| O15 | S11 | C7 | N2 | 150.6° | 125.6° |
| O15 | S11 | C7 | N1 | 36.2° | 54.4° |
| S11 | C7 | N2 | N1 | 174.0° | 180.0° |
| S11 | C7 | N2 | N3 | 177.7° | 180.0° |
| S11 | C7 | N1 | C1 | 178.2° | 180.0° |
| O14 | S11 | C7 | N2 | 19.1° | 5.0° |
| O14 | S11 | C7 | N1 | 167.7° | 175.0° |
| C7 | N2 | N3 | C1 | 1.2° | 0.1° |
| C7 | N2 | N3 | H3 | 126.5° | 180.0° |
| N2 | C7 | N1 | C1 | 4.5° | 0.0° |
| N1 | C7 | N2 | N3 | 3.8° | 0.1° |
| C7 | N1 | C1 | N3 | 3.6° | 0.0° |
| C7 | N1 | C1 | C2 | 180.0° | 180.0° |
| N2 | N3 | C1 | H3 | 125.3° | 179.9° |
| N2 | N3 | C1 | N1 | 1.5° | 0.0° |
| N2 | N3 | C1 | C2 | 177.9° | 180.0° |
| N3 | C1 | N1 | C2 | 176.4° | 180.0° |
| N3 | C1 | C2 | C5 | 9.6° | 0.0° |
| N3 | C1 | C2 | S6 | 169.0° | 180.0° |
| H3 | N3 | C1 | N1 | 123.7° | 180.0° |
| H3 | N3 | C1 | C2 | 52.6° | 0.0° |
| N1 | C1 | C2 | C5 | 174.5° | 180.0° |
| N1 | C1 | C2 | S6 | 6.9° | 0.0° |
| C1 | C2 | C5 | S6 | 178.7° | 180.0° |
| C1 | C2 | C5 | C9 | 178.7° | 180.0° |
| C1 | C2 | C5 | H5 | 1.3° | 0.1° |
| C1 | C2 | S6 | C10 | 178.7° | 180.0° |
| C2 | C5 | C9 | H5 | 180.0° | 179.9° |
| C2 | C5 | C9 | C10 | 0.1° | 0.0° |
| C2 | C5 | C9 | H9 | 179.9° | 180.0° |
| C5 | C2 | S6 | C10 | 0.1° | 0.0° |
| S6 | C2 | C5 | C9 | 0.0° | 0.0° |
| S6 | C2 | C5 | H5 | 180.0° | 180.0° |
| C2 | S6 | C10 | C9 | 0.2° | 0.0° |
| C2 | S6 | C10 | CL | 178.1° | 180.0° |
| C5 | C9 | C10 | H9 | 180.0° | 180.0° |
| C5 | C9 | C10 | S6 | 0.2° | 0.0° |
| C5 | C9 | C10 | CL | 178.1° | 180.0° |
| H5 | C5 | C9 | C10 | 179.9° | 180.0° |
| H5 | C5 | C9 | H9 | 0.1° | 0.0° |
| C9 | C10 | S6 | CL | 177.9° | 179.9° |
| H9 | C9 | C10 | S6 | 179.8° | 180.0° |
| H9 | C9 | C10 | CL | 1.9° | 0.0° |
