Mal-PEG2-Val-Cit-PABA-Cyclization Spacer
                    3D
 Schrodinger Suite 2023-1.
112113  0  0  1  0            999 V2000
    6.8205    0.1023    2.1191 O   0  0  0  0  0  0
    8.9560   -0.5040    2.6211 O   0  0  0  0  0  0
    5.0837   -2.1776   -1.3128 O   0  0  0  0  0  0
    9.4317    2.4812   -1.8123 O   0  0  0  0  0  0
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    9.8221    2.0822    0.4020 O   0  0  0  0  0  0
    3.2344    1.8361    2.0253 O   0  0  0  0  0  0
   -3.0601   -1.2909   -2.4210 O   0  0  0  0  0  0
    2.9793   -0.5207   -2.5825 O   0  0  0  0  0  0
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   -5.2497   -4.0879   -1.4942 O   0  0  0  0  0  0
   -3.4681    0.2014    0.3517 O   0  0  0  0  0  0
   -2.6706   -6.3445   -1.4270 O   0  0  0  0  0  0
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    8.1065   -0.8906    0.5238 N   0  0  0  0  0  0
   10.2749    0.4387   -1.2032 N   0  0  0  0  0  0
    0.7799    1.0233   -0.5343 N   0  0  0  0  0  0
   -1.7430    0.4841   -2.7324 N   0  0  0  0  0  0
    3.3315    2.0087   -0.2598 N   0  0  0  0  0  0
   -2.7744   -0.2194    2.4830 N   0  0  0  0  0  0
   -4.8243   -0.7939    1.8443 N   0  0  0  0  0  0
   -3.0715   -5.0055    0.4156 N   0  0  0  0  0  0
    8.0354   -0.4416    1.8065 C   0  0  0  0  0  0
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   10.5339   -0.6199   -0.2199 C   0  0  0  0  0  0
    6.2292   -2.2473   -0.4721 C   0  0  0  0  0  0
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   -0.5391    2.5583   -3.4891 C   0  0  0  0  0  0
    1.2476    1.2231    0.8448 C   0  0  1  0  0  0
    1.0388   -0.0569    1.7045 C   0  0  0  0  0  0
   -0.2479    1.6520   -1.1247 C   0  0  0  0  0  0
   -0.4039   -0.6104    1.7466 C   0  0  0  0  0  0
   10.2662    0.0226   -2.6106 C   0  0  0  0  0  0
   -0.7990    2.2348   -4.9743 C   0  0  0  0  0  0
    0.7282    3.4384   -3.3795 C   0  0  0  0  0  0
    9.8570    1.7084   -0.7735 C   0  0  0  0  0  0
    2.7178    1.7222    0.9129 C   0  0  0  0  0  0
    3.9117   -1.6879   -0.6695 C   0  0  0  0  0  0
   -1.4290    0.3436    2.3921 C   0  0  0  0  0  0
    2.7626   -1.5876   -1.6825 C   0  0  0  0  0  0
   -1.7892   -0.8488   -2.3372 C   0  0  0  0  0  0
    4.6411    2.4521   -0.5094 C   0  0  0  0  0  0
    8.6380    3.6490   -1.6024 C   0  0  0  0  0  0
    7.2151    3.2617   -1.2193 C   0  0  0  0  0  0
    5.0550    2.3898   -1.8418 C   0  0  0  0  0  0
    5.5185    2.9446    0.4691 C   0  0  0  0  0  0
    6.3394    2.7896   -2.1967 C   0  0  0  0  0  0
    6.8014    3.3475    0.1105 C   0  0  0  0  0  0
   -3.6672   -0.2412    1.4811 C   0  0  0  0  0  0
   -3.4070   -2.5447   -1.8496 C   0  0  0  0  0  0
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   -4.5221   -5.2175    0.5517 C   0  0  0  0  0  0
   -2.3080   -5.5757   -0.5368 C   0  0  0  0  0  0
   -2.3630   -4.2235    1.2530 C   0  0  0  0  0  0
   -0.9878   -5.0820   -0.2996 C   0  0  0  0  0  0
   -1.0204   -4.2768    0.7658 C   0  0  0  0  0  0
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    3.7480   -0.7300   -3.1189 H   0  0  0  0  0  0
    1.3042    0.3490   -1.0735 H   0  0  0  0  0  0
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    2.7863    1.8430   -1.0932 H   0  0  0  0  0  0
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    9.6122   -2.3420    0.7208 H   0  0  0  0  0  0
    9.0998   -2.0688   -0.9129 H   0  0  0  0  0  0
    6.2538   -0.1169   -0.1666 H   0  0  0  0  0  0
    7.2818   -0.6089   -1.4202 H   0  0  0  0  0  0
   11.3753   -1.2183   -0.5708 H   0  0  0  0  0  0
   10.8593   -0.1895    0.7285 H   0  0  0  0  0  0
    5.9667   -2.5980    0.5284 H   0  0  0  0  0  0
    6.8993   -3.0054   -0.8780 H   0  0  0  0  0  0
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    1.6857   -0.8495    1.3243 H   0  0  0  0  0  0
    1.3630    0.1193    2.7318 H   0  0  0  0  0  0
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   -0.3959   -1.5444    2.3100 H   0  0  0  0  0  0
   10.4253    0.8558   -3.2958 H   0  0  0  0  0  0
   11.0597   -0.7012   -2.7978 H   0  0  0  0  0  0
    9.3146   -0.4489   -2.8574 H   0  0  0  0  0  0
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   -0.8179    3.1417   -5.5795 H   0  0  0  0  0  0
    1.6245    2.8689   -3.6275 H   0  0  0  0  0  0
    0.6780    4.2887   -4.0599 H   0  0  0  0  0  0
    0.8608    3.8461   -2.3772 H   0  0  0  0  0  0
    3.6251   -2.3895    0.1158 H   0  0  0  0  0  0
    4.0821   -0.7260   -0.1852 H   0  0  0  0  0  0
   -1.4524    1.3001    1.8679 H   0  0  0  0  0  0
   -1.0959    0.5992    3.3985 H   0  0  0  0  0  0
    1.8048   -1.4818   -1.1745 H   0  0  0  0  0  0
    2.7005   -2.5068   -2.2657 H   0  0  0  0  0  0
    9.0836    4.2939   -0.8428 H   0  0  0  0  0  0
    8.6111    4.2239   -2.5285 H   0  0  0  0  0  0
    4.3895    2.0193   -2.6087 H   0  0  0  0  0  0
    5.2368    3.0300    1.5062 H   0  0  0  0  0  0
    6.6565    2.7196   -3.2271 H   0  0  0  0  0  0
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M  END
> <s_m_entry_id>
57

> <s_m_entry_name>
entry

> <s_m_Source_Path>
D:\Schrodinger_2023-1\projects\ligprep_20

> <s_m_Source_File>
ligprep_20-out.maegz

> <i_lp_mmshare_version>
61128

> <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

> <s_m_source_file>
ligprep_20.maegz

> <i_m_source_file_index>
6

> <i_f3d_flags>
0

$$$$
