AcLys-Val-Cit-PABC-DMAE
                    3D
 Structure written by MMmdl.
100100  0  0  1  0            999 V2000
   -2.3720    6.2433    7.2256 N   0  0  0  0  0  0
   -3.2650    5.2536    6.6300 C   0  0  0  0  0  0
   -2.5051    4.4308    5.6323 C   0  0  0  0  0  0
   -3.4226    3.4139    5.0205 C   0  0  0  0  0  0
   -2.6627    2.5911    4.0228 C   0  0  0  0  0  0
   -3.5802    1.5743    3.4109 C   0  0  2  0  0  0
   -4.1093    0.7042    4.4572 N   0  0  0  0  0  0
   -5.2080   -0.0449    4.3591 C   0  0  0  0  0  0
   -5.4691   -0.8195    5.6168 C   0  0  0  0  0  0
   -5.9043   -0.0781    3.3488 O   0  0  0  0  0  0
   -2.8203    0.7514    2.4132 C   0  0  0  0  0  0
   -2.2198   -0.2896    2.6634 O   0  0  0  0  0  0
   -2.8673    1.2847    1.1921 N   0  0  0  0  0  0
   -2.2318    0.7310    0.0000 C   0  0  2  0  0  0
   -0.7743    1.0855    0.0000 C   0  0  0  0  0  0
   -0.3224    2.2268    0.0000 O   0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0
    1.4600    0.0000    0.0000 C   0  0  1  0  0  0
    1.9600   -1.3289    0.4837 C   0  0  0  0  0  0
    3.4600   -1.3289    0.4837 C   0  0  0  0  0  0
    3.9600   -2.6579    0.9674 C   0  0  0  0  0  0
    3.4733   -2.8969    2.3230 N   0  0  0  0  0  0
    3.7261   -2.1318    3.3798 C   0  0  0  0  0  0
    3.1573   -2.5826    4.4930 N   0  0  0  0  0  0
    4.4118   -1.1170    3.3327 O   0  0  0  0  0  0
    1.9600    0.2456   -1.3927 C   0  0  0  0  0  0
    1.7238   -0.4641   -2.3660 O   0  0  0  0  0  0
    2.7087    1.3465   -1.4638 N   0  0  0  0  0  0
    3.3443    1.8631   -2.6725 C   0  0  0  0  0  0
    3.7396    3.1940   -2.7352 C   0  0  0  0  0  0
    4.3446    3.6857   -3.8858 C   0  0  0  0  0  0
    4.5543    2.8465   -4.9736 C   0  0  0  0  0  0
    5.2072    3.3772   -6.2154 C   0  0  0  0  0  0
    5.3071    2.3670   -7.1502 O   0  0  0  0  0  0
    5.8996    2.8681   -8.2638 C   0  0  0  0  0  0
    6.2644    4.0341   -8.3642 O   0  0  0  0  0  0
    6.0145    1.8129   -9.2664 N   0  0  0  0  0  0
    6.6221    2.1006  -10.5624 C   0  0  0  0  0  0
    5.5219    0.4703   -8.9727 C   0  0  0  0  0  0
    6.6217   -0.3419   -8.3556 C   0  0  0  0  0  0
    7.7438   -0.4279   -9.2857 N   0  0  0  0  0  0
    8.8147   -1.2183   -8.6857 C   0  0  0  0  0  0
    4.1589    1.5156   -4.9109 C   0  0  0  0  0  0
    3.5539    1.0239   -3.7603 C   0  0  0  0  0  0
   -2.8847    1.2999   -1.2247 C   0  0  0  0  0  0
   -4.3422    0.9454   -1.2247 C   0  0  0  0  0  0
   -2.2318    0.7310   -2.4495 C   0  0  0  0  0  0
   -2.0057    6.8455    6.5021 H   0  0  0  0  0  0
   -2.8829    6.7969    7.8983 H   0  0  0  0  0  0
   -4.0888    5.7623    6.1294 H   0  0  0  0  0  0
   -3.6600    4.6041    7.4112 H   0  0  0  0  0  0
   -1.6813    3.9221    6.1330 H   0  0  0  0  0  0
   -2.1101    5.0803    4.8512 H   0  0  0  0  0  0
   -4.2464    3.9226    4.5198 H   0  0  0  0  0  0
   -3.8176    2.7644    5.8016 H   0  0  0  0  0  0
   -1.8389    2.0824    4.5234 H   0  0  0  0  0  0
   -2.2677    3.2406    3.2417 H   0  0  0  0  0  0
   -4.4040    2.0829    2.9102 H   0  0  0  0  0  0
   -3.5088    0.7613    5.2672 H   0  0  0  0  0  0
   -4.6917   -0.5978    6.3480 H   0  0  0  0  0  0
   -6.4406   -0.5371    6.0223 H   0  0  0  0  0  0
   -5.4645   -1.8864    5.3939 H   0  0  0  0  0  0
   -3.3483    2.1370    0.9425 H   0  0  0  0  0  0
   -2.3420   -0.3534    0.0000 H   0  0  0  0  0  0
   -0.3288   -0.9550    0.0000 H   0  0  0  0  0  0
    1.8233    0.7872    0.6606 H   0  0  0  0  0  0
    1.5967   -2.1162   -0.1769 H   0  0  0  0  0  0
    1.5967   -1.5074    1.4957 H   0  0  0  0  0  0
    3.8233   -0.5417    1.1443 H   0  0  0  0  0  0
    3.8233   -1.1505   -0.5284 H   0  0  0  0  0  0
    5.0500   -2.6579    0.9674 H   0  0  0  0  0  0
    3.5967   -3.4451    0.3068 H   0  0  0  0  0  0
    2.9147   -3.7358    2.3279 H   0  0  0  0  0  0
    3.2248   -2.1503    5.4018 H   0  0  0  0  0  0
    2.5889   -3.4118    4.5655 H   0  0  0  0  0  0
    2.9278    1.9578   -0.6902 H   0  0  0  0  0  0
    3.5764    3.8474   -1.8883 H   0  0  0  0  0  0
    4.6524    4.7219   -3.9346 H   0  0  0  0  0  0
    6.2033    3.7472   -5.9724 H   0  0  0  0  0  0
    4.6067    4.1908   -6.6223 H   0  0  0  0  0  0
    6.9267    3.1466  -10.5968 H   0  0  0  0  0  0
    7.4949    1.4631  -10.7040 H   0  0  0  0  0  0
    5.8984    1.9067  -11.3540 H   0  0  0  0  0  0
    5.1927   -0.0060   -9.8962 H   0  0  0  0  0  0
    4.6842    0.5345   -8.2783 H   0  0  0  0  0  0
    6.2539   -1.3443   -8.1363 H   0  0  0  0  0  0
    6.9509    0.1344   -7.4321 H   0  0  0  0  0  0
    7.4390   -0.8682  -10.1420 H   0  0  0  0  0  0
    9.6522   -1.2822   -9.3804 H   0  0  0  0  0  0
    9.1442   -0.7421   -7.7622 H   0  0  0  0  0  0
    8.4472   -2.2208   -8.4664 H   0  0  0  0  0  0
    4.3221    0.8622   -5.7578 H   0  0  0  0  0  0
    3.2461   -0.0123   -3.7114 H   0  0  0  0  0  0
   -2.7746    2.3843   -1.2247 H   0  0  0  0  0  0
   -4.4524   -0.1390   -1.2247 H   0  0  0  0  0  0
   -4.8167    1.3588   -0.3348 H   0  0  0  0  0  0
   -4.8167    1.3588   -2.1147 H   0  0  0  0  0  0
   -2.3420   -0.3534   -2.4495 H   0  0  0  0  0  0
   -2.7063    1.1444   -3.3395 H   0  0  0  0  0  0
   -1.1727    0.9886   -2.4495 H   0  0  0  0  0  0
  1  2  1  0  0  0
  1 48  1  0  0  0
  1 49  1  0  0  0
  2  3  1  0  0  0
  2 50  1  0  0  0
  2 51  1  0  0  0
  3  4  1  0  0  0
  3 52  1  0  0  0
  3 53  1  0  0  0
  4  5  1  0  0  0
  4 54  1  0  0  0
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  5  6  1  0  0  0
  5 56  1  0  0  0
  5 57  1  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  6 58  1  0  0  0
  7  8  1  0  0  0
  7 59  1  0  0  0
  8  9  1  0  0  0
  8 10  2  0  0  0
  9 60  1  0  0  0
  9 61  1  0  0  0
  9 62  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 14  1  0  0  0
 13 63  1  0  0  0
 14 15  1  0  0  0
 14 45  1  0  0  0
 14 64  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 17 18  1  0  0  0
 17 65  1  0  0  0
 18 19  1  0  0  0
 18 26  1  0  0  0
 18 66  1  0  0  0
 19 20  1  0  0  0
 19 67  1  0  0  0
 19 68  1  0  0  0
 20 21  1  0  0  0
 20 69  1  0  0  0
 20 70  1  0  0  0
 21 22  1  0  0  0
 21 71  1  0  0  0
 21 72  1  0  0  0
 22 23  1  0  0  0
 22 73  1  0  0  0
 23 24  1  0  0  0
 23 25  2  0  0  0
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 26 27  2  0  0  0
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 28 76  1  0  0  0
 29 30  2  0  0  0
 29 44  1  0  0  0
 30 31  1  0  0  0
 30 77  1  0  0  0
 31 32  2  0  0  0
 31 78  1  0  0  0
 32 33  1  0  0  0
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 33 34  1  0  0  0
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 46 97  1  0  0  0
 47 98  1  0  0  0
 47 99  1  0  0  0
 47100  1  0  0  0
M  END
> <s_m_entry_id>
7

> <s_m_entry_name>
entry

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
