Mal-Val-Ala-PAB
                    3D
 Schrodinger Suite 2023-1.
 60 61  0  0  1  0            999 V2000
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    0.2064   -2.2756   -0.0420 C   0  0  0  0  0  0
    1.5840   -2.1661   -0.1901 C   0  0  0  0  0  0
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    1.7713   -4.5658   -0.2232 C   0  0  0  0  0  0
    2.5932   -5.7687   -0.3184 N   0  0  0  0  0  0
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    1.1417   -7.2242    0.5965 O   0  0  0  0  0  0
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    6.1143   -7.4825    0.0031 O   0  0  0  0  0  0
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   10.3037  -11.9753    3.7593 N   0  0  0  0  0  0
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    9.3619  -14.0237    4.1391 O   0  0  0  0  0  0
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    0.3937   -4.6754   -0.0751 C   0  0  0  0  0  0
   -0.3887   -3.5303    0.0155 C   0  0  0  0  0  0
   -1.7505   -1.3028    0.8288 O   0  0  0  0  0  0
   -0.0581   -0.2388    0.5143 H   0  0  0  0  0  0
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    3.6430   -8.3386    1.8150 H   0  0  0  0  0  0
    5.3177   -8.2709    3.0820 H   0  0  0  0  0  0
    7.8479   -8.7196    1.6822 H   0  0  0  0  0  0
    8.0372  -11.9349    2.3736 H   0  0  0  0  0  0
    8.9726  -10.4600    2.0300 H   0  0  0  0  0  0
    9.4310  -10.1929    4.4243 H   0  0  0  0  0  0
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   13.3858  -12.5152    2.9504 H   0  0  0  0  0  0
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    7.7348   -5.8916    4.5050 H   0  0  0  0  0  0
    4.8563   -5.9144    3.5660 H   0  0  0  0  0  0
    6.0722   -4.6724    3.1824 H   0  0  0  0  0  0
    5.1994   -5.4988    1.8696 H   0  0  0  0  0  0
   -0.0696   -5.6522   -0.0303 H   0  0  0  0  0  0
   -1.4612   -3.6156    0.1308 H   0  0  0  0  0  0
   -2.3741   -0.5303    0.9487 H   0  0  0  0  0  0
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M  END
> <s_m_entry_id>
88

> <s_m_entry_name>
entry

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