PEG3-Val-Cit-PABC
                    3D
 Structure written by MMmdl.
 92 92  0  0  1  0            999 V2000
    1.7238   -1.8764   -1.5142 O   0  0  0  0  0  0
   -0.3224    2.2268    0.0000 O   0  0  0  0  0  0
    5.6172    0.1916   -2.5488 O   0  0  0  0  0  0
    0.2507    4.7153   -4.9932 O   0  0  0  0  0  0
   10.5064   -4.6387   -1.5764 O   0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0
    2.7087    0.0906   -1.9869 N   0  0  0  0  0  0
    5.0970   -1.8511   -3.3357 N   0  0  0  0  0  0
    0.2596    2.5736   -5.6867 N   0  0  0  0  0  0
   -1.6260    3.7342   -5.7572 N   0  0  0  0  0  0
    1.4600    0.0000    0.0000 C   0  0  1  0  0  0
    1.9600   -0.7071    1.2247 C   0  0  0  0  0  0
    3.3443   -0.2906   -3.2448 C   0  0  1  0  0  0
    1.9600   -0.7071   -1.2247 C   0  0  0  0  0  0
    3.2306    0.8392   -4.2249 C   0  0  0  0  0  0
   -2.7176    0.6128    1.4142 C   0  0  0  0  0  0
    1.4600   -0.0000    2.4495 C   0  0  0  0  0  0
    3.4600   -0.7071    1.2247 C   0  0  0  0  0  0
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    1.7826    1.1456   -4.4690 C   0  0  0  0  0  0
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    4.7922   -0.5970   -3.0007 C   0  0  0  0  0  0
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    1.6689    2.2753   -5.4492 C   0  0  0  0  0  0
    6.4179   -2.4622   -3.2208 C   0  0  0  0  0  0
    6.7249   -3.5981   -3.9606 C   0  0  0  0  0  0
    7.3684   -1.9082   -2.3716 C   0  0  0  0  0  0
   -0.3333    3.7389   -5.4489 C   0  0  0  0  0  0
    8.9328   -3.6258   -3.0019 C   0  0  0  0  0  0
    7.9823   -4.1798   -3.8511 C   0  0  0  0  0  0
    8.6259   -2.4899   -2.2621 C   0  0  0  0  0  0
   10.2899   -4.2536   -2.8838 C   0  0  0  0  0  0
   -6.1902   -1.4900    2.0332 O   0  0  0  0  0  0
   -7.4849   -1.9335    1.8556 C   0  0  0  0  0  0
   -8.1309   -2.1394    3.1936 C   0  0  0  0  0  0
   -7.5593   -3.2295    3.8175 O   0  0  0  0  0  0
   -8.0722   -3.5230    5.0646 C   0  0  0  0  0  0
   -7.3666   -4.7218    5.6259 C   0  0  0  0  0  0
   -7.7342   -5.8464    4.9155 O   0  0  0  0  0  0
   -7.1477   -7.0214    5.3394 C   0  0  0  0  0  0
   -7.6311   -8.1573    4.4872 C   0  0  0  0  0  0
    9.7533   -4.4437   -0.9482 H   0  0  0  0  0  0
   -0.3288   -0.9550   -0.0000 H   0  0  0  0  0  0
    2.9278    1.0561   -1.7872 H   0  0  0  0  0  0
    4.4512   -2.5316   -3.7100 H   0  0  0  0  0  0
   -0.1910    1.7530   -6.0602 H   0  0  0  0  0  0
   -2.1354    2.9497   -6.1328 H   0  0  0  0  0  0
   -2.2559    4.5152   -5.6530 H   0  0  0  0  0  0
    1.8233    1.0277    0.0000 H   0  0  0  0  0  0
    1.5967   -1.7348    1.2247 H   0  0  0  0  0  0
    2.8492   -1.1735   -3.6490 H   0  0  0  0  0  0
    3.7051    0.5546   -5.1641 H   0  0  0  0  0  0
    3.7257    1.7221   -3.8207 H   0  0  0  0  0  0
   -2.5749    1.5635    1.9280 H   0  0  0  0  0  0
   -2.1543   -0.1661    1.9280 H   0  0  0  0  0  0
    1.8233    1.0277    2.4495 H   0  0  0  0  0  0
    0.3700   -0.0000    2.4495 H   0  0  0  0  0  0
    1.8233   -0.5138    3.3395 H   0  0  0  0  0  0
    3.8233    0.3206    1.2247 H   0  0  0  0  0  0
    3.8233   -1.2209    2.1147 H   0  0  0  0  0  0
    3.8233   -1.2209    0.3348 H   0  0  0  0  0  0
   -2.7952    1.5099   -0.5138 H   0  0  0  0  0  0
   -2.3745   -0.2196   -0.5138 H   0  0  0  0  0  0
    1.3082    1.4302   -3.5299 H   0  0  0  0  0  0
    1.2876    0.2626   -4.8733 H   0  0  0  0  0  0
   -4.5323    1.0874    3.2114 H   0  0  0  0  0  0
   -4.1116   -0.6421    3.2114 H   0  0  0  0  0  0
   -6.5516    0.4905    1.8279 H   0  0  0  0  0  0
   -6.5643   -0.1391    3.4927 H   0  0  0  0  0  0
    2.1640    3.1583   -5.0449 H   0  0  0  0  0  0
    2.1434    1.9907   -6.3883 H   0  0  0  0  0  0
    5.9848   -4.0294   -4.6217 H   0  0  0  0  0  0
    7.1294   -1.0239   -1.7956 H   0  0  0  0  0  0
    8.2213   -5.0641   -4.4271 H   0  0  0  0  0  0
    9.3659   -2.0586   -1.6010 H   0  0  0  0  0  0
   10.3439   -5.1271   -3.5336 H   0  0  0  0  0  0
   11.0511   -3.5322   -3.1809 H   0  0  0  0  0  0
   -7.4743   -2.8761    1.3084 H   0  0  0  0  0  0
   -8.0488   -1.1915    1.2902 H   0  0  0  0  0  0
   -9.1980   -2.3162    3.0585 H   0  0  0  0  0  0
   -7.9847   -1.2511    3.8081 H   0  0  0  0  0  0
   -9.1377   -3.7359    4.9783 H   0  0  0  0  0  0
   -7.9245   -2.6708    5.7279 H   0  0  0  0  0  0
   -7.6413   -4.8477    6.6732 H   0  0  0  0  0  0
   -6.2889   -4.5787    5.5477 H   0  0  0  0  0  0
   -7.4167   -7.2073    6.3792 H   0  0  0  0  0  0
   -6.0643   -6.9383    5.2537 H   0  0  0  0  0  0
   -7.1679   -9.0854    4.8220 H   0  0  0  0  0  0
   -8.7145   -8.2403    4.5729 H   0  0  0  0  0  0
   -7.3620   -7.9714    3.4474 H   0  0  0  0  0  0
  1 14  2  0  0  0
  2 22  2  0  0  0
  3 24  2  0  0  0
  4 30  2  0  0  0
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  5 44  1  0  0  0
  6 11  1  0  0  0
  6 22  1  0  0  0
  6 45  1  0  0  0
  7 13  1  0  0  0
  7 14  1  0  0  0
  7 46  1  0  0  0
  8 24  1  0  0  0
  8 27  1  0  0  0
  8 47  1  0  0  0
  9 26  1  0  0  0
  9 30  1  0  0  0
  9 48  1  0  0  0
 10 30  1  0  0  0
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M  END
> <s_m_entry_id>
78

> <s_m_entry_name>
entry

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
