Mal-Val-Cit-PABA-Cyclization spacer
                    3D
 Structure written by MMmdl.
102103  0  0  1  0            999 V2000
    3.2772    0.3522  -11.5230 O   0  0  0  0  0  0
    1.3790    0.9848  -10.4432 O   0  0  0  0  0  0
    6.6300   -1.5769   -7.0968 O   0  0  0  0  0  0
    1.8606    1.6001    0.8921 O   0  0  0  0  0  0
    8.2879   -2.5729   -8.2920 O   0  0  0  0  0  0
    3.9069   -2.5031   -0.6221 O   0  0  0  0  0  0
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    7.9363   -0.1127    4.4548 O   0  0  0  0  0  0
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   -6.0239   -0.2900    7.7984 O   0  0  0  0  0  0
    2.8264   -0.7168   -9.5381 N   0  0  0  0  0  0
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    6.8923   -1.7320  -10.7507 C   0  0  0  0  0  0
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    7.2378   -1.9415   -8.2543 C   0  0  0  0  0  0
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    6.7373   -1.6431   -4.7477 C   0  0  0  0  0  0
    5.7370   -2.2594   -2.6466 C   0  0  0  0  0  0
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    6.5277   -0.3010   -4.4538 C   0  0  0  0  0  0
    8.3748   -1.1039    3.8825 C   0  0  0  0  0  0
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   -0.5780    1.6624    2.0770 H   0  0  0  0  0  0
    5.1109    0.4295   -0.8951 H   0  0  0  0  0  0
    7.9312   -2.8662    2.8650 H   0  0  0  0  0  0
   10.0644   -2.1586    3.2736 H   0  0  0  0  0  0
   10.4224   -0.7710    4.0747 H   0  0  0  0  0  0
    4.2286   -1.5591  -10.8440 H   0  0  0  0  0  0
    3.9805   -2.4496   -9.3229 H   0  0  0  0  0  0
    1.1536   -0.3330   -8.3402 H   0  0  0  0  0  0
    1.7174   -2.0213   -8.3344 H   0  0  0  0  0  0
    2.6335   -0.7741   -7.4548 H   0  0  0  0  0  0
    5.2935    0.2672   -9.6012 H   0  0  0  0  0  0
    5.0454   -0.6232   -8.0800 H   0  0  0  0  0  0
   -0.1589   -0.9801    0.8921 H   0  0  0  0  0  0
   -0.5915    1.7577   -0.3327 H   0  0  0  0  0  0
    4.0064    0.4010    0.8921 H   0  0  0  0  0  0
    3.7797   -2.3614    2.1168 H   0  0  0  0  0  0
    3.7797   -0.8200    3.0068 H   0  0  0  0  0  0
    6.0064   -0.3061    2.1168 H   0  0  0  0  0  0
    6.0064   -1.8476    1.2268 H   0  0  0  0  0  0
    7.8261   -2.2936  -10.7254 H   0  0  0  0  0  0
    6.1327   -2.3133  -11.2734 H   0  0  0  0  0  0
    7.0501   -0.7879  -11.2723 H   0  0  0  0  0  0
   -2.2694   -0.7657   -0.3327 H   0  0  0  0  0  0
   -2.6337    0.7322    0.5573 H   0  0  0  0  0  0
   -2.6337    0.7322   -1.2227 H   0  0  0  0  0  0
   -0.1589   -0.9801   -1.5574 H   0  0  0  0  0  0
   -0.5232    0.5177   -2.4474 H   0  0  0  0  0  0
    1.0104    0.3619   -1.5574 H   0  0  0  0  0  0
    5.7797   -1.5271    4.2315 H   0  0  0  0  0  0
    5.7797   -3.0686    3.3416 H   0  0  0  0  0  0
    8.3863   -1.5952   -6.0917 H   0  0  0  0  0  0
    7.4691   -3.1206   -6.0928 H   0  0  0  0  0  0
    5.4292   -3.0218   -1.9431 H   0  0  0  0  0  0
    5.7595    1.1069   -3.0275 H   0  0  0  0  0  0
    6.5052   -3.6672   -4.0729 H   0  0  0  0  0  0
    6.8355    0.4614   -5.1572 H   0  0  0  0  0  0
   -5.6712    3.2921    6.2397 H   0  0  0  0  0  0
   -6.9877    2.1285    6.5246 H   0  0  0  0  0  0
   -3.5791    2.3496   10.4319 H   0  0  0  0  0  0
   -4.5768   -0.1004   10.1885 H   0  0  0  0  0  0
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   -1.3943    0.5524    5.0692 H   0  0  0  0  0  0
   -1.6114    1.8719    3.8943 H   0  0  0  0  0  0
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M  END
> <s_m_entry_id>
28

> <s_m_entry_name>
Mal-Val-Cit-PABA-cyclization_spacers.1

> <s_m_Source_Path>
D:\Project\ADC\linker

> <s_m_Source_File>
Mal-Val-Cit-PABA-cyclization_spacers.sdf

> <i_m_Source_File_Index>
1

> <i_lp_mmshare_version>
61128

> <i_f3d_flags>
0

> <r_lp_tautomer_probability>
1

> <s_lp_Force_Field>
S-OPLS

> <r_lp_Energy>
31.282333

> <b_lp_Chiralities_Consistent>
1

> <s_lp_Variant>
Mal-PEG2-Val-Cit-PABA-cyclization spacers-1

> <s_m_job_name>
ligprep_20

> <chiral flag>
1

> <version>
0

> <chiral flag>
1

$$$$
