| 21 |
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#BondTypes |
| 22 |
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!Atom1 Atom2 type distance k0 (kcal/mol) |
| 23 |
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| 24 |
< |
HEAD CH3 harmonic 2.75 260 |
| 25 |
< |
HEAD CH2 harmonic 2.75 260 |
| 26 |
< |
HEAD CH harmonic 2.75 260 |
| 27 |
< |
HEAD TB1 harmonic 2.76 260 |
| 28 |
< |
HEAD TB2 harmonic 3.20 260 |
| 29 |
< |
HEAD TB3 harmonic 3.63 260 |
| 30 |
< |
CH3 CH3 harmonic 1.526 260 |
| 31 |
< |
CH3 CH2 harmonic 1.526 260 |
| 32 |
< |
CH3 CH harmonic 1.526 260 |
| 33 |
< |
CH2 CH2 harmonic 1.526 260 |
| 34 |
< |
CH2 CH harmonic 1.526 260 |
| 35 |
< |
CH CH harmonic 1.526 260 |
| 36 |
< |
TB1 TB1 harmonic 1.526 260 |
| 37 |
< |
TB2 TB2 harmonic 2.34 260 |
| 38 |
< |
TB3 TB3 harmonic 3.12 260 |
| 39 |
< |
TB1 TE1 harmonic 1.526 260 |
| 40 |
< |
TB2 TE2 harmonic 2.34 260 |
| 41 |
< |
TB3 TE3 harmonic 3.12 260 |
| 24 |
> |
HEAD CH3 fixed 2.75 260 |
| 25 |
> |
HEAD CH2 fixed 2.75 260 |
| 26 |
> |
HEAD CH fixed 2.75 260 |
| 27 |
> |
HEAD TB1 fixed 2.76 260 |
| 28 |
> |
HEAD TB2 fixed 3.20 260 |
| 29 |
> |
HEAD TB3 fixed 3.63 260 |
| 30 |
> |
CH3 CH3 fixed 1.526 260 |
| 31 |
> |
CH3 CH2 fixed 1.526 260 |
| 32 |
> |
CH3 CH fixed 1.526 260 |
| 33 |
> |
CH2 CH2 fixed 1.526 260 |
| 34 |
> |
CH2 CH fixed 1.526 260 |
| 35 |
> |
CH CH fixed 1.526 260 |
| 36 |
> |
TB1 TB1 fixed 1.526 260 |
| 37 |
> |
TB2 TB2 fixed 2.34 260 |
| 38 |
> |
TB3 TB3 fixed 3.12 260 |
| 39 |
> |
TB1 TE1 fixed 1.526 260 |
| 40 |
> |
TB2 TE2 fixed 2.34 260 |
| 41 |
> |
TB3 TE3 fixed 3.12 260 |
| 42 |
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| 43 |
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| 44 |
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