M11
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O43 | C31 | doub | 1.21Å | 1.27Å | |
| C31 | O42 | sing | 1.34Å | 1.28Å | |
| C31 | C30 | sing | 1.51Å | 1.54Å | |
| C30 | O29 | sing | 1.45Å | 1.47Å | |
| C30 | C32 | sing | 1.53Å | 1.60Å | |
| O29 | C13 | sing | 1.34Å | 1.45Å | |
| C13 | O18 | doub | 1.21Å | 1.26Å | |
| C13 | C12 | sing | 1.51Å | 1.51Å | |
| C12 | N11 | sing | 1.47Å | 1.45Å | |
| C12 | CAV | sing | 1.53Å | 1.52Å | |
| S17 | CAV | sing | 1.81Å | 1.84Å | |
| C25 | CAV | sing | 1.53Å | 1.52Å | |
| N11 | C10 | sing | 1.35Å | 1.31Å | |
| C10 | O15 | doub | 1.21Å | 1.24Å | |
| C10 | C7 | sing | 1.51Å | 1.50Å | |
| C7 | C4 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C2 | N14 | sing | 1.47Å | 1.46Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C1 | O20 | sing | 1.34Å | 1.29Å | |
| C1 | O19 | doub | 1.21Å | 1.27Å | |
| C32 | C37 | sing | 1.53Å | 1.58Å | |
| C32 | C33 | sing | 1.53Å | 1.54Å | |
| O42 | H42 | sing | 0.97Å | 0.95Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| CAV | HAV | sing | 1.09Å | 1.10Å | |
| S17 | H17 | sing | 1.35Å | 1.30Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C25 | H253 | sing | 1.09Å | 1.10Å | |
| C7 | H7C1 | sing | 1.09Å | 1.10Å | |
| C7 | H7C2 | sing | 1.09Å | 1.10Å | |
| C4 | H4C1 | sing | 1.09Å | 1.10Å | |
| C4 | H4C2 | sing | 1.09Å | 1.10Å | |
| C3 | H3C1 | sing | 1.09Å | 1.10Å | |
| C3 | H3C2 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| N14 | H141 | sing | 1.01Å | 1.00Å | |
| N14 | H142 | sing | 1.01Å | 1.00Å | |
| O20 | H20 | sing | 0.97Å | 0.95Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | 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) |
| O43 | C31 | O42 | 122.6° | 120.0° |
| O43 | C31 | C30 | 114.5° | 120.0° |
| O42 | C31 | C30 | 122.8° | 120.0° |
| C31 | O42 | H42 | 109.5° | 117.0° |
| C31 | C30 | O29 | 107.7° | 109.5° |
| C31 | C30 | C32 | 120.0° | 109.5° |
| C31 | C30 | H30 | 103.3° | 109.4° |
| O29 | C30 | C32 | 109.4° | 109.5° |
| C30 | O29 | C13 | 118.5° | 117.0° |
| O29 | C30 | H30 | 115.3° | 109.5° |
| C30 | C32 | C37 | 122.6° | 109.5° |
| C30 | C32 | C33 | 112.5° | 109.5° |
| C32 | C30 | H30 | 101.3° | 109.5° |
| C30 | C32 | H32 | 96.4° | 109.5° |
| O29 | C13 | O18 | 121.5° | 120.0° |
| O29 | C13 | C12 | 116.7° | 120.0° |
| O18 | C13 | C12 | 121.8° | 120.0° |
| C13 | C12 | N11 | 116.3° | 109.5° |
| C13 | C12 | CAV | 119.1° | 109.5° |
| C13 | C12 | H12 | 93.6° | 109.5° |
| N11 | C12 | CAV | 84.8° | 109.5° |
| C12 | N11 | C10 | 121.3° | 120.0° |
| N11 | C12 | H12 | 124.2° | 109.4° |
| C12 | N11 | H11 | 119.4° | 120.0° |
| C12 | CAV | S17 | 110.7° | 109.5° |
| C12 | CAV | C25 | 109.2° | 109.5° |
| CAV | C12 | H12 | 121.7° | 109.5° |
| C12 | CAV | HAV | 115.4° | 109.5° |
| S17 | CAV | C25 | 122.9° | 109.5° |
| S17 | CAV | HAV | 98.1° | 109.5° |
| CAV | S17 | H17 | 109.5° | 103.0° |
| C25 | CAV | HAV | 100.0° | 109.5° |
| CAV | C25 | H251 | 109.5° | 109.5° |
| CAV | C25 | H252 | 109.5° | 109.5° |
| CAV | C25 | H253 | 109.5° | 109.5° |
| N11 | C10 | O15 | 122.3° | 120.0° |
| N11 | C10 | C7 | 112.6° | 119.9° |
| C10 | N11 | H11 | 119.3° | 120.0° |
| O15 | C10 | C7 | 125.0° | 120.1° |
| C10 | C7 | C4 | 105.3° | 109.4° |
| C10 | C7 | H7C1 | 110.9° | 109.5° |
| C10 | C7 | H7C2 | 111.8° | 109.5° |
| C7 | C4 | C3 | 107.6° | 109.4° |
| C4 | C7 | H7C1 | 110.9° | 109.5° |
| C4 | C7 | H7C2 | 111.7° | 109.4° |
| C7 | C4 | H4C1 | 110.1° | 109.5° |
| C7 | C4 | H4C2 | 110.5° | 109.4° |
| C4 | C3 | C2 | 113.1° | 109.4° |
| C3 | C4 | H4C1 | 110.1° | 109.5° |
| C3 | C4 | H4C2 | 110.5° | 109.5° |
| C4 | C3 | H3C1 | 108.3° | 109.5° |
| C4 | C3 | H3C2 | 107.4° | 109.5° |
| C3 | C2 | N14 | 112.9° | 109.5° |
| C3 | C2 | C1 | 104.0° | 109.5° |
| C2 | C3 | H3C1 | 108.3° | 109.5° |
| C2 | C3 | H3C2 | 107.4° | 109.5° |
| C3 | C2 | H2 | 111.3° | 109.5° |
| N14 | C2 | C1 | 110.8° | 109.4° |
| N14 | C2 | H2 | 104.6° | 109.5° |
| C2 | N14 | H141 | 109.5° | 111.1° |
| C2 | N14 | H142 | 109.5° | 111.0° |
| C2 | C1 | O20 | 118.1° | 120.0° |
| C2 | C1 | O19 | 119.1° | 120.0° |
| C1 | C2 | H2 | 113.5° | 109.4° |
| O20 | C1 | O19 | 122.7° | 120.0° |
| C1 | O20 | H20 | 109.5° | 117.0° |
| C37 | C32 | C33 | 109.6° | 109.5° |
| C37 | C32 | H32 | 100.5° | 109.5° |
| C32 | C37 | H371 | 109.5° | 109.5° |
| C32 | C37 | H372 | 109.5° | 109.5° |
| C32 | C37 | H373 | 109.5° | 109.4° |
| C33 | C32 | H32 | 113.8° | 109.4° |
| C32 | C33 | H331 | 109.5° | 109.5° |
| C32 | C33 | H332 | 109.5° | 109.5° |
| C32 | C33 | H333 | 109.4° | 109.5° |
| H251 | C25 | H252 | 109.4° | 109.5° |
| H251 | C25 | H253 | 109.5° | 109.5° |
| H252 | C25 | H253 | 109.5° | 109.4° |
| H7C1 | C7 | H7C2 | 106.3° | 109.5° |
| H4C1 | C4 | H4C2 | 108.0° | 109.5° |
| H3C1 | C3 | H3C2 | 112.4° | 109.5° |
| H141 | N14 | H142 | 109.5° | 111.0° |
| H371 | C37 | H372 | 109.4° | 109.5° |
| H371 | C37 | H373 | 109.5° | 109.5° |
| H372 | C37 | H373 | 109.5° | 109.5° |
| H331 | C33 | H332 | 109.5° | 109.5° |
| 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) |
| O43 | C31 | O42 | C30 | 177.6° | 179.7° |
| O43 | C31 | C30 | O29 | 2.9° | 5.0° |
| O43 | C31 | C30 | C32 | 123.1° | 115.0° |
| O43 | C31 | O42 | H42 | 0.0° | 0.0° |
| O43 | C31 | C30 | H30 | 125.3° | 125.1° |
| O42 | C31 | C30 | O29 | 174.9° | 175.3° |
| O42 | C31 | C30 | C32 | 59.1° | 64.7° |
| O42 | C31 | C30 | H30 | 52.6° | 55.3° |
| C31 | C30 | O29 | C32 | 132.0° | 120.0° |
| C31 | C30 | O29 | H30 | 114.7° | 120.0° |
| C31 | C30 | C32 | H30 | 112.7° | 119.9° |
| C31 | C30 | O29 | C13 | 127.0° | 87.0° |
| C31 | C30 | C32 | C37 | 86.9° | 174.2° |
| C31 | C30 | C32 | C33 | 47.2° | 65.8° |
| C30 | C31 | O42 | H42 | 177.6° | 179.7° |
| C31 | C30 | C32 | H32 | 166.3° | 54.1° |
| O29 | C30 | C32 | H30 | 122.1° | 120.0° |
| C30 | O29 | C13 | O18 | 22.1° | 5.4° |
| C30 | O29 | C13 | C12 | 159.3° | 174.6° |
| O29 | C30 | C32 | C37 | 38.3° | 54.2° |
| O29 | C30 | C32 | C33 | 172.4° | 174.2° |
| O29 | C30 | C32 | H32 | 68.5° | 65.9° |
| C32 | C30 | O29 | C13 | 101.0° | 153.0° |
| C30 | C32 | C37 | C33 | 135.3° | 120.0° |
| C30 | C32 | C37 | H32 | 104.6° | 120.1° |
| C30 | C32 | C33 | H32 | 108.4° | 120.0° |
| C30 | C32 | C37 | H371 | 159.4° | 63.7° |
| C30 | C32 | C37 | H372 | 80.6° | 176.2° |
| C30 | C32 | C37 | H373 | 39.4° | 56.2° |
| C30 | C32 | C33 | H331 | 161.3° | 60.0° |
| C30 | C32 | C33 | H332 | 41.3° | 179.9° |
| C30 | C32 | C33 | H333 | 78.7° | 60.0° |
| O29 | C13 | O18 | C12 | 178.5° | 180.0° |
| O29 | C13 | C12 | N11 | 166.6° | 155.1° |
| O29 | C13 | C12 | CAV | 67.5° | 84.9° |
| C13 | O29 | C30 | H30 | 12.4° | 33.0° |
| O29 | C13 | C12 | H12 | 62.1° | 35.2° |
| O18 | C13 | C12 | N11 | 14.8° | 24.9° |
| O18 | C13 | C12 | CAV | 114.0° | 95.1° |
| O18 | C13 | C12 | H12 | 116.5° | 144.8° |
| C13 | C12 | N11 | CAV | 119.9° | 120.0° |
| C13 | C12 | N11 | H12 | 114.9° | 120.0° |
| C13 | C12 | CAV | H12 | 115.3° | 120.1° |
| C13 | C12 | CAV | S17 | 23.7° | 174.2° |
| C13 | C12 | CAV | C25 | 114.5° | 65.8° |
| C13 | C12 | N11 | C10 | 121.3° | 155.0° |
| C13 | C12 | N11 | H11 | 58.7° | 25.0° |
| C13 | C12 | CAV | HAV | 133.9° | 54.2° |
| N11 | C12 | CAV | H12 | 127.4° | 120.0° |
| N11 | C12 | CAV | S17 | 93.5° | 65.9° |
| N11 | C12 | CAV | C25 | 128.3° | 54.1° |
| C12 | N11 | C10 | H11 | 180.0° | 180.0° |
| C12 | N11 | C10 | O15 | 5.4° | 0.0° |
| C12 | N11 | C10 | C7 | 177.0° | 180.0° |
| N11 | C12 | CAV | HAV | 16.7° | 174.2° |
| C12 | CAV | S17 | C25 | 131.5° | 120.0° |
| C12 | CAV | S17 | HAV | 121.1° | 120.0° |
| C12 | CAV | C25 | HAV | 121.5° | 120.0° |
| CAV | C12 | N11 | C10 | 118.7° | 85.1° |
| CAV | C12 | N11 | H11 | 61.3° | 95.0° |
| C12 | CAV | S17 | H17 | 155.7° | 58.2° |
| C12 | CAV | C25 | H251 | 147.3° | 60.0° |
| C12 | CAV | C25 | H252 | 27.4° | 180.0° |
| C12 | CAV | C25 | H253 | 92.6° | 60.0° |
| S17 | CAV | C25 | HAV | 106.5° | 120.0° |
| S17 | CAV | C12 | H12 | 139.0° | 54.1° |
| S17 | CAV | C25 | H251 | 15.2° | 180.0° |
| S17 | CAV | C25 | H252 | 104.7° | 60.0° |
| S17 | CAV | C25 | H253 | 135.3° | 60.0° |
| C25 | CAV | C12 | H12 | 0.8° | 174.1° |
| C25 | CAV | S17 | H17 | 72.9° | 178.2° |
| CAV | C25 | H251 | H252 | 120.0° | 120.0° |
| CAV | C25 | H251 | H253 | 120.0° | 120.0° |
| CAV | C25 | H252 | H253 | 120.0° | 120.0° |
| N11 | C10 | O15 | C7 | 177.3° | 180.0° |
| N11 | C10 | C7 | C4 | 109.0° | 180.0° |
| C10 | N11 | C12 | H12 | 6.5° | 35.0° |
| N11 | C10 | C7 | H7C1 | 11.0° | 60.0° |
| N11 | C10 | C7 | H7C2 | 129.4° | 60.0° |
| O15 | C10 | C7 | C4 | 68.5° | 0.0° |
| O15 | C10 | N11 | H11 | 174.6° | 180.0° |
| O15 | C10 | C7 | H7C1 | 171.5° | 120.0° |
| O15 | C10 | C7 | H7C2 | 53.1° | 120.0° |
| C10 | C7 | C4 | H7C1 | 120.0° | 120.0° |
| C10 | C7 | C4 | H7C2 | 121.6° | 120.0° |
| C10 | C7 | C4 | C3 | 179.8° | 180.0° |
| C7 | C10 | N11 | H11 | 3.0° | 0.0° |
| C10 | C7 | H7C1 | H7C2 | 121.7° | 120.0° |
| C10 | C7 | C4 | H4C1 | 60.2° | 60.0° |
| C10 | C7 | C4 | H4C2 | 59.0° | 60.0° |
| C7 | C4 | C3 | H4C1 | 120.0° | 120.0° |
| C7 | C4 | C3 | H4C2 | 120.7° | 119.9° |
| C7 | C4 | C3 | C2 | 175.7° | 180.0° |
| C4 | C7 | H7C1 | H7C2 | 121.7° | 120.0° |
| C7 | C4 | H4C1 | H4C2 | 120.7° | 120.0° |
| C7 | C4 | C3 | H3C1 | 64.3° | 60.0° |
| C7 | C4 | C3 | H3C2 | 57.3° | 60.1° |
| C4 | C3 | C2 | H3C1 | 120.0° | 120.0° |
| C4 | C3 | C2 | H3C2 | 118.4° | 119.9° |
| C4 | C3 | C2 | N14 | 57.2° | 65.0° |
| C4 | C3 | C2 | C1 | 177.4° | 175.0° |
| C3 | C4 | C7 | H7C1 | 59.8° | 60.0° |
| C3 | C4 | C7 | H7C2 | 58.6° | 60.0° |
| C3 | C4 | H4C1 | H4C2 | 120.8° | 120.0° |
| C4 | C3 | H3C1 | H3C2 | 118.5° | 120.0° |
| C4 | C3 | C2 | H2 | 60.1° | 55.1° |
| C3 | C2 | N14 | C1 | 116.2° | 120.0° |
| C3 | C2 | N14 | H2 | 121.2° | 120.1° |
| C3 | C2 | C1 | H2 | 121.1° | 120.0° |
| C3 | C2 | C1 | O20 | 66.0° | 80.0° |
| C3 | C2 | C1 | O19 | 110.2° | 100.0° |
| C2 | C3 | C4 | H4C1 | 55.7° | 60.0° |
| C2 | C3 | C4 | H4C2 | 63.6° | 60.1° |
| C2 | C3 | H3C1 | H3C2 | 118.5° | 120.0° |
| C3 | C2 | N14 | H141 | 25.2° | 59.9° |
| C3 | C2 | N14 | H142 | 145.1° | 64.0° |
| N14 | C2 | C1 | H2 | 117.3° | 120.0° |
| N14 | C2 | C1 | O20 | 172.3° | 160.0° |
| N14 | C2 | C1 | O19 | 11.4° | 20.0° |
| N14 | C2 | C3 | H3C1 | 177.2° | 175.0° |
| N14 | C2 | C3 | H3C2 | 61.2° | 54.9° |
| C2 | N14 | H141 | H142 | 120.0° | 123.9° |
| C2 | C1 | O20 | O19 | 176.1° | 179.9° |
| C1 | C2 | C3 | H3C1 | 62.6° | 55.0° |
| C1 | C2 | C3 | H3C2 | 59.0° | 65.0° |
| C1 | C2 | N14 | H141 | 141.4° | 60.1° |
| C1 | C2 | N14 | H142 | 98.6° | 176.0° |
| C2 | C1 | O20 | H20 | 176.1° | 180.0° |
| O20 | C1 | C2 | H2 | 55.0° | 40.0° |
| O19 | C1 | C2 | H2 | 128.7° | 140.1° |
| O19 | C1 | O20 | H20 | 0.0° | 0.1° |
| C37 | C32 | C33 | H32 | 111.6° | 120.0° |
| C37 | C32 | C30 | H30 | 160.4° | 65.9° |
| C32 | C37 | H371 | H372 | 120.0° | 120.0° |
| C32 | C37 | H371 | H373 | 120.0° | 119.9° |
| C32 | C37 | H372 | H373 | 120.0° | 119.9° |
| C37 | C32 | C33 | H331 | 58.6° | 180.0° |
| C37 | C32 | C33 | H332 | 178.6° | 59.9° |
| C37 | C32 | C33 | H333 | 61.4° | 60.0° |
| C33 | C32 | C30 | H30 | 65.5° | 54.1° |
| C33 | C32 | C37 | H371 | 65.3° | 56.3° |
| C33 | C32 | C37 | H372 | 54.7° | 63.8° |
| C33 | C32 | C37 | H373 | 174.7° | 176.2° |
| C32 | C33 | H331 | H332 | 120.0° | 120.1° |
| C32 | C33 | H331 | H333 | 120.0° | 120.0° |
| C32 | C33 | H332 | H333 | 120.0° | 120.0° |
| H30 | C30 | C32 | H32 | 53.6° | 174.1° |
| H32 | C32 | C37 | H371 | 54.8° | 176.2° |
| H32 | C32 | C37 | H372 | 174.8° | 56.1° |
| H32 | C32 | C37 | H373 | 65.2° | 63.8° |
| H32 | C32 | C33 | H331 | 52.9° | 60.0° |
| H32 | C32 | C33 | H332 | 67.1° | 60.1° |
| H32 | C32 | C33 | H333 | 172.9° | 180.0° |
| H12 | C12 | N11 | H11 | 173.5° | 145.0° |
| H12 | C12 | CAV | HAV | 110.8° | 65.8° |
| HAV | CAV | S17 | H17 | 34.6° | 61.8° |
| HAV | CAV | C25 | H251 | 91.2° | 60.0° |
| HAV | CAV | C25 | H252 | 148.8° | 60.0° |
| HAV | CAV | C25 | H253 | 28.8° | 180.0° |
| H251 | C25 | H252 | H253 | 120.0° | 120.0° |
| H7C1 | C7 | C4 | H4C1 | 179.8° | 180.0° |
| H7C1 | C7 | C4 | H4C2 | 61.0° | 60.0° |
| H7C2 | C7 | C4 | H4C1 | 61.4° | 60.0° |
| H7C2 | C7 | C4 | H4C2 | 179.4° | 180.0° |
| H4C1 | C4 | C3 | H3C1 | 175.7° | 180.0° |
| H4C1 | C4 | C3 | H3C2 | 62.7° | 59.9° |
| H4C2 | C4 | C3 | H3C1 | 56.5° | 59.9° |
| H4C2 | C4 | C3 | H3C2 | 178.0° | 180.0° |
| H3C1 | C3 | C2 | H2 | 59.9° | 65.0° |
| H3C2 | C3 | C2 | H2 | 178.5° | 175.0° |
| H2 | C2 | N14 | H141 | 96.0° | 180.0° |
| H2 | C2 | N14 | H142 | 24.0° | 56.0° |
| H371 | C37 | H372 | H373 | 120.0° | 120.1° |
| H331 | C33 | H332 | H333 | 120.0° | 120.0° |
