BCN-dual-Val-Ala-PABC
                    3D
 Structure written by MMmdl.
159162  0  0  1  0            999 V2000
    1.8294   13.0642   10.1603 C   0  0  2  0  0  0
    0.7658   13.8345    9.3639 C   0  0  0  0  0  0
   -0.1236   14.7804   10.2145 C   0  0  0  0  0  0
    0.7351   15.7479   10.9012 C   0  0  0  0  0  0
    1.8244   16.1701   11.2419 C   0  0  0  0  0  0
    3.2869   16.1022   11.2813 C   0  0  0  0  0  0
    3.7649   14.9970   10.3019 C   0  0  0  0  0  0
    3.2034   13.5968   10.5901 C   0  0  2  0  0  0
    3.0891   12.5735    9.4822 C   0  0  2  0  0  0
    3.3490   13.0353    8.0789 C   0  0  0  0  0  0
    2.6873   12.2096    7.1930 O   0  0  0  0  0  0
    3.1927   10.9527    7.0928 C   0  0  0  0  0  0
    4.1604   10.5375    7.7206 O   0  0  0  0  0  0
    2.4915   10.2369    6.2195 N   0  0  0  0  0  0
    2.8009    8.5787    5.7923 S   0  0  0  0  0  0
    3.6026    8.5787    4.5638 O   0  0  0  0  0  0
    3.2489    7.8841    7.0043 O   0  0  0  0  0  0
    1.2210    7.9706    5.3903 N   0  0  0  0  0  0
    0.8861    6.8600    6.2768 C   0  0  0  0  0  0
    1.8992    5.7661    6.1125 C   0  0  0  0  0  0
    1.8947    5.3277    4.8040 O   0  0  0  0  0  0
    2.7902    4.3155    4.5250 C   0  0  0  0  0  0
    2.6817    3.9367    3.0777 C   0  0  0  0  0  0
    1.4791    3.2960    2.8588 O   0  0  0  0  0  0
    1.2637    2.9018    1.5768 C   0  0  0  0  0  0
    2.0476    3.0793    0.6510 O   0  0  0  0  0  0
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   -0.5808    1.6402   -0.0000 S   0  0  0  0  0  0
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    0.0526    2.3356   -1.1257 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  0  0  0  0
    1.9600   -0.7071   -1.2247 C   0  0  0  0  0  0
    2.7267   -1.7913   -0.8492 O   0  0  0  0  0  0
    3.2391   -2.5160   -1.8776 C   0  0  0  0  0  0
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    4.1242   -5.8890   -1.9348 C   0  0  0  0  0  0
    4.1548   -6.4337   -0.8352 O   0  0  0  0  0  0
    3.6003   -6.4682   -3.0156 N   0  0  0  0  0  0
    3.0004   -7.7986   -3.0578 C   0  0  2  0  0  0
    3.0630   -8.4188   -1.6935 C   0  0  0  0  0  0
    3.7531   -8.6557   -4.0318 C   0  0  0  0  0  0
    4.9455   -8.9367   -3.9546 O   0  0  0  0  0  0
    2.9684   -9.0923   -5.0175 N   0  0  0  0  0  0
    3.3922   -9.9457   -6.1237 C   0  0  0  0  0  0
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    2.8526  -11.4816   -7.8971 C   0  0  0  0  0  0
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    4.6345  -12.4473   -9.3663 C   0  0  0  0  0  0
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    6.8402   -5.4875   -2.7785 C   0  0  0  0  0  0
    6.3447   -4.7868   -0.4843 C   0  0  0  0  0  0
   -0.4874   -0.6896    1.1910 C   0  0  0  0  0  0
    0.0137   -2.1034    1.1904 C   0  0  0  0  0  0
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    2.7088   -4.8877    3.9858 C   0  0  2  0  0  0
    2.1761   -5.3111    5.3226 C   0  0  0  0  0  0
    2.2052   -4.6320    6.3446 O   0  0  0  0  0  0
    1.6532   -6.5370    5.2822 N   0  0  0  0  0  0
    1.0526   -7.2401    6.4120 C   0  0  2  0  0  0
    0.2403   -6.2769    7.2259 C   0  0  0  0  0  0
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    4.1768   -4.6015    4.1004 C   0  0  0  0  0  0
    4.7095   -4.1781    2.7637 C   0  0  0  0  0  0
    4.8933   -5.8383    4.5553 C   0  0  0  0  0  0
    1.3804   12.3702   10.8689 H   0  0  0  0  0  0
    0.1318   13.1080    8.8547 H   0  0  0  0  0  0
    1.2595   14.4044    8.5749 H   0  0  0  0  0  0
   -0.6879   14.2235   10.9630 H   0  0  0  0  0  0
   -0.8343   15.3216    9.5897 H   0  0  0  0  0  0
    3.5975   15.8844   12.3034 H   0  0  0  0  0  0
    3.6921   17.0760   11.0056 H   0  0  0  0  0  0
    4.8533   14.9381   10.3313 H   0  0  0  0  0  0
    3.5088   15.2763    9.2785 H   0  0  0  0  0  0
    3.5499   13.2110   11.5474 H   0  0  0  0  0  0
    3.4143   11.5582    9.7008 H   0  0  0  0  0  0
    4.4196   13.0008    7.8775 H   0  0  0  0  0  0
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    0.5384    8.7070    5.4997 H   0  0  0  0  0  0
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    1.6492    4.9369    6.7744 H   0  0  0  0  0  0
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    2.5635    3.4485    5.1455 H   0  0  0  0  0  0
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M  END
> <s_m_entry_id>
33

> <s_m_entry_name>
entry

> <r_f3d_energy>
0

> <i_f3d_flags>
0

$$$$
