| No (i) |
Type |
Definitionb |
| Stretching |
| 1 – 5 |
C – N |
N1-C2, N1-C6, N4-C3, N4-C5, N1-C7. |
| 6-13 |
C – C |
C2-C3, C6-C5, C7-C8, C8-C9, C9-C10, C10-C11, C11-C12, C12-C7. |
| 14-17 |
C – H |
C8-H22, C9-H23, C10-H24, C11-H25. |
| 18- 20 |
CH (Methyl) |
C27-H28, C27-H29, C27-H30. |
| 21 |
N - H |
N4-H17. |
| 22-23 |
C-O |
C12-O26, C27-O26. |
| 24 - 31 |
CH2 |
C2-H13, C2-H14, C3-H15, C3-H16, C5-H18, C5-H19, C6-H20, C6-H21. |
| Bending |
| 32- 37 |
bRing 1 |
N1-C2-C3, C3-N4-C5, C5-C6-N1,C2-C3-N4,N4-C5-C6,C6-N1-C2 |
| 38 - 43 |
bRing 2 |
C7-C8-C9, C8-C9-C10, C9-C10-C11, C10-C11-C12, C11-C12-C7,C12-C7-C8. |
| 44 - 51 |
bCH |
H22-C8-C7,H22-C8-C9, H23-C9-C8,H23-C9-C10,H24-C10-C9, H24-C10-C11, H25-C11-C10,H25-C11-C12. |
| 52,53 |
bNH |
H17-N4-C3,H17-N4-C5. |
| 54 - 57 |
bCN |
C7-N1-C6,C7-N1-C2,N1-C7-C12,N1-C7-C8. |
| 58,59 |
bCO |
C7-C12-O26,C11-C12-O26. |
| 60 |
bCOC |
C27-O26-C12. |
| 61 - 66 |
bCH3 |
H29-C27-H30, H29-C27-H28, H30-C27-H28, O26-C27-H29, O26-C27-H30, O26-C27-H28. |
| 67 - 82 |
bCH2 |
N1-C2-H13, N1-C2-H14, C2-C3-H15, C2-C3-H16, C3-C2-H13, C3-C2-H14, N4-C3-H15, N4-C3-H16,N4-C5-H18, N4-C5-H19, C5-C6-H20, C5-C6-H21, C6-C5-H18, C6-C5-H19, N1-C6-H20, N1-C6-H21. |
| Out-of-plane bending |
| 83-86 |
gCH |
H22-C8-C7-C9,H23-C9-C8-C10,H24-C10-C9-C11,H25-C11-C10-C12. |
| 87 |
gNH |
H17-N4-C3-C5. |
| 88, 89 |
gCN |
C7-N1-C2-C6,N1-C7-C8-C12. |
| 90 |
gOCO |
O26-C12-C7-C11. |
| Torsion |
| 91-96 |
tRing1 |
N1-C2-C3-N4, C3-N4-C5-C6, C5-C6-N1-C2, C2-C3-N4-C5, N4-C5-C6-N1, C6-N1-C2-C3. |
| 97-102 |
tRing2 |
C7-C8-C9-C10, C9-C10-C11-C12, C11-C12-C7-C8, C8-C9-C10-C11, C10-C11-C12-C7, C12-C7-C8-C9. |
| 103-104 |
tCOC |
C27-O26-C12-C7,C27-O26-C12-C7. |
| 105-107 |
tOCH3 |
C12-O26-C27-H28,C12-O26-C27-H29,C12-O26-C27-H30. |
| 108,109 |
tpiph |
C6-N1-C7-C12, C2-N1-C7-C8. |
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