| Parameter | Penicillin acid | Parameter | DGD |
| µ, D | 3.571 | µ, D | 0.953 |
| q С1 | −0.121483 | q С1 | 0.210 |
| q С2 | −0.131220 | q O2 | −0.284 |
| q С3 | −0.130831 | q С3 | −0.270 |
| q С4 | −0.112560 | q С4 | −0.030 |
| q С5 | −0.086901 | q С5 | −0.199 |
| q С6 | −0.110834 | q С6 | 0.05 |
| q С11 | −0.057496 | q N7 | −0.469 |
| q С14 | 0.082292 | q S13 | 0.620 |
| q N16 | −0.153666 | q C14 | −0.429 |
| q O17 | −0.226165 | q N15 | 0.005 |
| q C18 | −0.198795 | q C16 | 0.351 |
| q C19 | 0.341160 | q O17 | −0.361 |
| q O20 | −0.293519 | q N18 | −0.322 |
| q C21 | 0.083508 | q C19 | −0.028 |
| q N23 | −0.277703 | q C20 | −0.234 |
| q C25 | 0.027240 | q C21 | −0.022 |
| q C27 | 0.322425 | q C22 | −0.237 |
| q C28 | −0.145945 |
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| q O29 | −0.356745 |
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| q C30 | −0.290921 |
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| q C32 | −0.213261 |
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| q C33 | −0.234911 |
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| q S40 | −0.065233 |
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