M9F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAN | SAM | sing | 1.81Å | 1.82Å | |
| SAM | CAK | sing | 1.81Å | 1.89Å | |
| CAK | CAO | sing | 1.53Å | 1.56Å | |
| CAK | CAJ | sing | 1.53Å | 1.48Å | |
| CAJ | CAP | sing | 1.51Å | 1.47Å | |
| CAJ | NAI | sing | 1.46Å | 1.46Å | |
| CAP | OAR | sing | 1.34Å | 1.30Å | |
| CAP | OAQ | doub | 1.21Å | 1.26Å | |
| NAI | CAG | sing | 1.35Å | 1.29Å | |
| CAG | OAH | doub | 1.21Å | 1.26Å | |
| CAG | CAD | sing | 1.51Å | 1.54Å | |
| CAD | CAE | sing | 1.53Å | 1.59Å | |
| CAD | NAC | sing | 1.47Å | 1.48Å | |
| CAE | SAF | sing | 1.81Å | 1.89Å | |
| NAC | CAU | sing | 1.35Å | 1.33Å | |
| CAU | OAV | doub | 1.21Å | 1.21Å | |
| CAU | CAT | sing | 1.51Å | 1.55Å | |
| CAT | CAS | sing | 1.53Å | 1.55Å | |
| CAS | CB | sing | 1.53Å | 1.62Å | |
| CB | CA | sing | 1.53Å | 1.55Å | |
| CA | C | sing | 1.51Å | 1.57Å | |
| CA | N | sing | 1.47Å | 1.53Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.28Å | |
| CAN | HAN1 | sing | 1.09Å | 1.10Å | |
| CAN | HAN2 | sing | 1.09Å | 1.10Å | |
| CAN | HAN3 | sing | 1.09Å | 1.10Å | |
| CAK | HAK | sing | 1.09Å | 1.10Å | |
| CAO | HAO1 | sing | 1.09Å | 1.10Å | |
| CAO | HAO2 | sing | 1.09Å | 1.10Å | |
| CAO | HAO3 | sing | 1.09Å | 1.10Å | |
| CAJ | HAJ | sing | 1.09Å | 1.10Å | |
| NAI | HAI | sing | 0.97Å | 1.00Å | |
| OAR | HAR | sing | 0.97Å | 0.95Å | |
| CAD | HAD | sing | 1.09Å | 1.10Å | |
| CAE | HAE1 | sing | 1.09Å | 1.10Å | |
| CAE | HAE2 | sing | 1.09Å | 1.10Å | |
| NAC | HAC | sing | 0.97Å | 1.00Å | |
| SAF | HAF | sing | 1.35Å | 1.30Å | |
| CAT | HAT1 | sing | 1.09Å | 1.10Å | |
| CAT | HAT2 | sing | 1.09Å | 1.10Å | |
| CAS | HAS1 | sing | 1.09Å | 1.10Å | |
| CAS | HAS2 | sing | 1.09Å | 1.10Å | |
| CB | HB1C | sing | 1.09Å | 1.10Å | |
| CB | HB2C | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | HN1 | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAN | SAM | CAK | 92.3° | 103.0° |
| SAM | CAN | HAN1 | 109.5° | 109.5° |
| SAM | CAN | HAN2 | 109.5° | 109.5° |
| SAM | CAN | HAN3 | 109.5° | 109.5° |
| SAM | CAK | CAO | 123.5° | 109.5° |
| SAM | CAK | CAJ | 110.2° | 109.5° |
| SAM | CAK | HAK | 117.7° | 109.5° |
| CAO | CAK | CAJ | 125.3° | 109.5° |
| CAO | CAK | HAK | 54.1° | 109.5° |
| CAK | CAO | HAO1 | 109.5° | 109.5° |
| CAK | CAO | HAO2 | 109.5° | 109.5° |
| CAK | CAO | HAO3 | 109.4° | 109.5° |
| CAK | CAJ | CAP | 105.9° | 109.4° |
| CAK | CAJ | NAI | 120.5° | 109.4° |
| CAJ | CAK | HAK | 110.1° | 109.5° |
| CAK | CAJ | HAJ | 110.5° | 109.5° |
| CAP | CAJ | NAI | 121.6° | 109.5° |
| CAJ | CAP | OAR | 119.9° | 120.0° |
| CAJ | CAP | OAQ | 112.7° | 120.0° |
| CAP | CAJ | HAJ | 108.9° | 109.5° |
| CAJ | NAI | CAG | 125.7° | 120.0° |
| NAI | CAJ | HAJ | 87.1° | 109.5° |
| CAJ | NAI | HAI | 117.2° | 120.1° |
| OAR | CAP | OAQ | 125.7° | 120.0° |
| CAP | OAR | HAR | 109.5° | 117.0° |
| NAI | CAG | OAH | 122.3° | 120.0° |
| NAI | CAG | CAD | 111.6° | 120.0° |
| CAG | NAI | HAI | 117.1° | 120.0° |
| OAH | CAG | CAD | 126.1° | 120.0° |
| CAG | CAD | CAE | 106.7° | 109.4° |
| CAG | CAD | NAC | 108.4° | 109.5° |
| CAG | CAD | HAD | 109.4° | 109.5° |
| CAE | CAD | NAC | 100.7° | 109.4° |
| CAD | CAE | SAF | 115.5° | 109.5° |
| CAE | CAD | HAD | 116.2° | 109.5° |
| CAD | CAE | HAE1 | 107.5° | 109.5° |
| CAD | CAE | HAE2 | 106.2° | 109.5° |
| CAD | NAC | CAU | 121.0° | 120.0° |
| NAC | CAD | HAD | 114.7° | 109.5° |
| CAD | NAC | HAC | 119.5° | 120.0° |
| SAF | CAE | HAE1 | 107.5° | 109.5° |
| SAF | CAE | HAE2 | 106.1° | 109.5° |
| CAE | SAF | HAF | 109.5° | 103.0° |
| NAC | CAU | OAV | 120.7° | 120.0° |
| NAC | CAU | CAT | 116.9° | 120.0° |
| CAU | NAC | HAC | 119.5° | 120.0° |
| OAV | CAU | CAT | 122.4° | 120.0° |
| CAU | CAT | CAS | 107.7° | 109.5° |
| CAU | CAT | HAT1 | 110.1° | 109.4° |
| CAU | CAT | HAT2 | 110.4° | 109.5° |
| CAT | CAS | CB | 108.0° | 109.5° |
| CAS | CAT | HAT1 | 110.1° | 109.5° |
| CAS | CAT | HAT2 | 110.4° | 109.5° |
| CAT | CAS | HAS1 | 110.0° | 109.5° |
| CAT | CAS | HAS2 | 110.3° | 109.4° |
| CAS | CB | CA | 110.2° | 109.5° |
| CB | CAS | HAS1 | 109.9° | 109.5° |
| CB | CAS | HAS2 | 110.3° | 109.4° |
| CAS | CB | HB1C | 109.2° | 109.5° |
| CAS | CB | HB2C | 109.1° | 109.5° |
| CB | CA | C | 108.6° | 109.5° |
| CB | CA | N | 114.7° | 109.5° |
| CA | CB | HB1C | 109.2° | 109.5° |
| CA | CB | HB2C | 109.0° | 109.4° |
| CB | CA | HA | 105.8° | 109.5° |
| C | CA | N | 107.4° | 109.5° |
| CA | C | O | 117.3° | 120.0° |
| CA | C | OXT | 117.5° | 120.0° |
| C | CA | HA | 113.3° | 109.5° |
| N | CA | HA | 107.1° | 109.4° |
| CA | N | HN1 | 109.5° | 111.0° |
| CA | N | HN2 | 109.5° | 111.0° |
| O | C | OXT | 125.1° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| HAN1 | CAN | HAN2 | 109.5° | 109.5° |
| HAN1 | CAN | HAN3 | 109.5° | 109.4° |
| HAN2 | CAN | HAN3 | 109.5° | 109.5° |
| HAO1 | CAO | HAO2 | 109.5° | 109.5° |
| HAO1 | CAO | HAO3 | 109.5° | 109.5° |
| HAO2 | CAO | HAO3 | 109.5° | 109.5° |
| HAE1 | CAE | HAE2 | 114.3° | 109.4° |
| HAT1 | CAT | HAT2 | 108.1° | 109.5° |
| HAS1 | CAS | HAS2 | 108.4° | 109.4° |
| HB1C | CB | HB2C | 110.0° | 109.5° |
| HN1 | N | HN2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAN | SAM | CAK | CAO | 64.9° | 65.0° |
| CAN | SAM | CAK | CAJ | 125.9° | 175.0° |
| SAM | CAN | HAN1 | HAN2 | 120.0° | 120.0° |
| SAM | CAN | HAN1 | HAN3 | 120.0° | 120.0° |
| SAM | CAN | HAN2 | HAN3 | 120.0° | 120.0° |
| CAN | SAM | CAK | HAK | 1.4° | 55.0° |
| SAM | CAK | CAO | CAJ | 167.5° | 120.0° |
| SAM | CAK | CAO | HAK | 102.1° | 120.0° |
| SAM | CAK | CAJ | HAK | 131.4° | 120.0° |
| SAM | CAK | CAJ | CAP | 94.3° | 60.0° |
| SAM | CAK | CAJ | NAI | 48.8° | 60.0° |
| CAK | SAM | CAN | HAN1 | 75.5° | 60.0° |
| CAK | SAM | CAN | HAN2 | 164.5° | 60.0° |
| CAK | SAM | CAN | HAN3 | 44.5° | 180.0° |
| SAM | CAK | CAO | HAO1 | 5.8° | 60.0° |
| SAM | CAK | CAO | HAO2 | 125.8° | 60.0° |
| SAM | CAK | CAO | HAO3 | 114.2° | 180.0° |
| SAM | CAK | CAJ | HAJ | 147.9° | 180.0° |
| CAO | CAK | CAJ | HAK | 59.6° | 120.0° |
| CAO | CAK | CAJ | CAP | 96.8° | 180.0° |
| CAO | CAK | CAJ | NAI | 120.2° | 60.0° |
| CAK | CAO | HAO1 | HAO2 | 120.0° | 120.0° |
| CAK | CAO | HAO1 | HAO3 | 120.0° | 120.0° |
| CAK | CAO | HAO2 | HAO3 | 120.0° | 120.0° |
| CAO | CAK | CAJ | HAJ | 21.1° | 60.0° |
| CAK | CAJ | CAP | NAI | 142.6° | 120.0° |
| CAK | CAJ | CAP | HAJ | 118.9° | 120.0° |
| CAK | CAJ | NAI | HAJ | 112.2° | 120.0° |
| CAK | CAJ | CAP | OAR | 38.6° | 60.1° |
| CAK | CAJ | CAP | OAQ | 127.5° | 120.0° |
| CAK | CAJ | NAI | CAG | 77.7° | 155.0° |
| CAJ | CAK | CAO | HAO1 | 161.8° | 180.0° |
| CAJ | CAK | CAO | HAO2 | 41.7° | 60.0° |
| CAJ | CAK | CAO | HAO3 | 78.3° | 60.0° |
| CAK | CAJ | NAI | HAI | 102.4° | 25.0° |
| CAP | CAJ | NAI | HAJ | 110.5° | 120.1° |
| CAJ | CAP | OAR | OAQ | 164.2° | 179.9° |
| CAP | CAJ | NAI | CAG | 145.1° | 85.0° |
| CAP | CAJ | CAK | HAK | 37.1° | 60.0° |
| CAP | CAJ | NAI | HAI | 34.9° | 94.9° |
| CAJ | CAP | OAR | HAR | 164.2° | 180.0° |
| NAI | CAJ | CAP | OAR | 178.8° | 180.0° |
| NAI | CAJ | CAP | OAQ | 15.1° | 0.0° |
| CAJ | NAI | CAG | HAI | 180.0° | 180.0° |
| CAJ | NAI | CAG | OAH | 17.6° | 0.0° |
| CAJ | NAI | CAG | CAD | 160.5° | 179.9° |
| NAI | CAJ | CAK | HAK | 179.8° | 180.0° |
| OAR | CAP | CAJ | HAJ | 80.3° | 59.9° |
| OAQ | CAP | CAJ | HAJ | 113.6° | 120.0° |
| OAQ | CAP | OAR | HAR | 0.0° | 0.1° |
| NAI | CAG | OAH | CAD | 177.9° | 179.9° |
| NAI | CAG | CAD | CAE | 62.4° | 60.0° |
| NAI | CAG | CAD | NAC | 170.2° | 180.0° |
| CAG | NAI | CAJ | HAJ | 34.5° | 35.0° |
| NAI | CAG | CAD | HAD | 64.1° | 59.9° |
| OAH | CAG | CAD | CAE | 115.7° | 120.0° |
| OAH | CAG | CAD | NAC | 7.9° | 0.1° |
| OAH | CAG | NAI | HAI | 162.3° | 180.0° |
| OAH | CAG | CAD | HAD | 117.8° | 120.0° |
| CAG | CAD | CAE | NAC | 113.1° | 120.0° |
| CAG | CAD | CAE | HAD | 122.3° | 120.0° |
| CAG | CAD | NAC | HAD | 122.6° | 120.1° |
| CAG | CAD | CAE | SAF | 57.7° | 180.0° |
| CAG | CAD | NAC | CAU | 114.9° | 155.0° |
| CAD | CAG | NAI | HAI | 19.5° | 0.0° |
| CAG | CAD | CAE | HAE1 | 62.3° | 59.9° |
| CAG | CAD | CAE | HAE2 | 175.0° | 60.0° |
| CAG | CAD | NAC | HAC | 65.0° | 24.9° |
| CAE | CAD | NAC | HAD | 125.5° | 120.0° |
| CAD | CAE | SAF | HAE1 | 120.0° | 120.0° |
| CAD | CAE | SAF | HAE2 | 117.3° | 120.0° |
| CAE | CAD | NAC | CAU | 133.2° | 85.1° |
| CAD | CAE | HAE1 | HAE2 | 117.6° | 120.0° |
| CAE | CAD | NAC | HAC | 46.8° | 95.0° |
| CAD | CAE | SAF | HAF | 157.9° | 180.0° |
| NAC | CAD | CAE | SAF | 55.4° | 60.0° |
| CAD | NAC | CAU | HAC | 180.0° | 179.9° |
| CAD | NAC | CAU | OAV | 1.0° | 0.1° |
| CAD | NAC | CAU | CAT | 179.7° | 179.7° |
| NAC | CAD | CAE | HAE1 | 175.4° | 60.0° |
| NAC | CAD | CAE | HAE2 | 61.9° | 180.0° |
| SAF | CAE | CAD | HAD | 180.0° | 60.0° |
| SAF | CAE | HAE1 | HAE2 | 117.5° | 120.0° |
| NAC | CAU | OAV | CAT | 179.3° | 179.8° |
| NAC | CAU | CAT | CAS | 111.8° | 179.8° |
| CAU | NAC | CAD | HAD | 7.7° | 34.9° |
| NAC | CAU | CAT | HAT1 | 8.2° | 59.8° |
| NAC | CAU | CAT | HAT2 | 127.5° | 60.2° |
| OAV | CAU | CAT | CAS | 68.9° | 0.0° |
| OAV | CAU | NAC | HAC | 179.0° | 180.0° |
| OAV | CAU | CAT | HAT1 | 171.1° | 120.0° |
| OAV | CAU | CAT | HAT2 | 51.8° | 120.0° |
| CAU | CAT | CAS | HAT1 | 120.0° | 120.0° |
| CAU | CAT | CAS | HAT2 | 120.7° | 120.0° |
| CAU | CAT | CAS | CB | 176.8° | 180.0° |
| CAT | CAU | NAC | HAC | 0.3° | 0.2° |
| CAU | CAT | HAT1 | HAT2 | 120.7° | 120.0° |
| CAU | CAT | CAS | HAS1 | 63.3° | 60.0° |
| CAU | CAT | CAS | HAS2 | 56.2° | 60.0° |
| CAT | CAS | CB | HAS1 | 120.0° | 120.1° |
| CAT | CAS | CB | HAS2 | 120.6° | 120.0° |
| CAT | CAS | CB | CA | 176.3° | 180.0° |
| CAS | CAT | HAT1 | HAT2 | 120.7° | 120.0° |
| CAT | CAS | HAS1 | HAS2 | 120.6° | 120.0° |
| CAT | CAS | CB | HB1C | 63.6° | 60.0° |
| CAT | CAS | CB | HB2C | 56.6° | 60.0° |
| CAS | CB | CA | HB1C | 120.0° | 120.0° |
| CAS | CB | CA | HB2C | 119.7° | 120.0° |
| CAS | CB | CA | C | 177.0° | 175.0° |
| CAS | CB | CA | N | 56.8° | 64.9° |
| CB | CAS | CAT | HAT1 | 56.8° | 60.0° |
| CB | CAS | CAT | HAT2 | 62.5° | 60.0° |
| CB | CAS | HAS1 | HAS2 | 120.6° | 120.0° |
| CAS | CB | HB1C | HB2C | 119.7° | 120.0° |
| CAS | CB | CA | HA | 61.0° | 55.0° |
| CB | CA | C | N | 124.7° | 120.1° |
| CB | CA | C | HA | 117.3° | 120.0° |
| CB | CA | N | HA | 117.1° | 120.0° |
| CB | CA | C | O | 64.7° | 100.0° |
| CB | CA | C | OXT | 114.3° | 80.0° |
| CA | CB | CAS | HAS1 | 56.3° | 59.9° |
| CA | CB | CAS | HAS2 | 63.1° | 60.0° |
| CA | CB | HB1C | HB2C | 119.7° | 120.0° |
| CB | CA | N | HN1 | 157.9° | 176.1° |
| CB | CA | N | HN2 | 82.1° | 60.0° |
| C | CA | N | HA | 122.0° | 120.0° |
| CA | C | O | OXT | 178.9° | 180.0° |
| C | CA | CB | HB1C | 63.0° | 65.0° |
| C | CA | CB | HB2C | 57.3° | 55.0° |
| C | CA | N | HN1 | 81.2° | 63.8° |
| C | CA | N | HN2 | 38.8° | 60.0° |
| CA | C | OXT | HXT | 178.9° | 179.9° |
| N | CA | C | O | 170.6° | 20.1° |
| N | CA | C | OXT | 10.4° | 160.0° |
| N | CA | CB | HB1C | 176.8° | 55.1° |
| N | CA | CB | HB2C | 62.9° | 175.0° |
| CA | N | HN1 | HN2 | 120.0° | 123.9° |
| O | C | CA | HA | 52.6° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 128.4° | 40.0° |
| HAN1 | CAN | HAN2 | HAN3 | 120.0° | 119.9° |
| HAK | CAK | CAO | HAO1 | 107.8° | 60.0° |
| HAK | CAK | CAO | HAO2 | 132.2° | 180.0° |
| HAK | CAK | CAO | HAO3 | 12.2° | 60.0° |
| HAK | CAK | CAJ | HAJ | 80.7° | 60.0° |
| HAO1 | CAO | HAO2 | HAO3 | 120.0° | 120.0° |
| HAJ | CAJ | NAI | HAI | 145.4° | 145.0° |
| HAD | CAD | CAE | HAE1 | 60.1° | 179.9° |
| HAD | CAD | CAE | HAE2 | 62.7° | 60.0° |
| HAD | CAD | NAC | HAC | 172.3° | 145.0° |
| HAE1 | CAE | SAF | HAF | 82.1° | 60.0° |
| HAE2 | CAE | SAF | HAF | 40.6° | 60.0° |
| HAT1 | CAT | CAS | HAS1 | 176.8° | 179.9° |
| HAT1 | CAT | CAS | HAS2 | 63.8° | 60.0° |
| HAT2 | CAT | CAS | HAS1 | 57.4° | 60.1° |
| HAT2 | CAT | CAS | HAS2 | 176.9° | 180.0° |
| HAS1 | CAS | CB | HB1C | 176.4° | 60.1° |
| HAS1 | CAS | CB | HB2C | 63.4° | 179.9° |
| HAS2 | CAS | CB | HB1C | 56.9° | 180.0° |
| HAS2 | CAS | CB | HB2C | 177.2° | 60.0° |
| HB1C | CB | CA | HA | 59.0° | 175.0° |
| HB2C | CB | CA | HA | 179.3° | 65.0° |
| HA | CA | N | HN1 | 40.8° | 56.1° |
| HA | CA | N | HN2 | 160.8° | 180.0° |
