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msm.offxml
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<?xml version="1.0" encoding="utf-8"?>
<SMIRNOFF version="0.3" aromaticity_model="OEAroModel_MDL">
<Author>The Open Force Field Initiative</Author>
<Date>2020-10-21</Date>
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<Angle smirks="[*;r3:1]~;@[*;r3:2]~;!@[*:3]" angle="2.052499160509263 * radian" k="375.8901916988577 * mole**-1 * radian**-2 * kilojoule" id="a4"></Angle>
<Angle smirks="[*:1]~;!@[*;r3:2]~;!@[*:3]" angle="2.015665519354134 * radian" k="572.0826020165839 * mole**-1 * radian**-2 * kilojoule" id="a5"></Angle>
<Angle smirks="[#1:1]-[*;r3:2]~;!@[*:3]" angle="2.0090956340322816 * radian" k="216.38783020990178 * mole**-1 * radian**-2 * kilojoule" id="a6"></Angle>
<Angle smirks="[#6r4:1]-;@[#6r4:2]-;@[#6r4:3]" angle="1.525130884674149 * radian" k="362.40371043471026 * mole**-1 * radian**-2 * kilojoule" id="a7"></Angle>
<Angle smirks="[!#1:1]-[#6r4:2]-;!@[!#1:3]" angle="2.015021521827271 * radian" k="611.2656848733105 * mole**-1 * radian**-2 * kilojoule" id="a8"></Angle>
<Angle smirks="[!#1:1]-[#6r4:2]-;!@[#1:3]" angle="1.9849988651290176 * radian" k="317.4885464537463 * mole**-1 * radian**-2 * kilojoule" id="a9"></Angle>
<Angle smirks="[*:1]~[#6X3:2]~[*:3]" angle="2.0839819016952794 * radian" k="591.6773535104463 * mole**-1 * radian**-2 * kilojoule" id="a10"></Angle>
<Angle smirks="[#1:1]-[#6X3:2]~[*:3]" angle="2.065202734812816 * radian" k="273.34607237419186 * mole**-1 * radian**-2 * kilojoule" id="a11"></Angle>
<Angle smirks="[#1:1]-[#6X3:2]-[#1:3]" angle="2.0492188804535014 * radian" k="207.6592187794997 * mole**-1 * radian**-2 * kilojoule" id="a12"></Angle>
<Angle smirks="[*;r6:1]~;@[*;r5:2]~;@[*;r5;x2:3]" angle="2.2266770634831756 * radian" k="587.6075006138366 * mole**-1 * radian**-2 * kilojoule" id="a13"></Angle>
<Angle smirks="[*:1]~;!@[*;X3;r5:2]~;@[*;r5:3]" angle="2.1953723430682786 * radian" k="350.1424714473727 * mole**-1 * radian**-2 * kilojoule" id="a14"></Angle>
<Angle smirks="[#8X1:1]~[#6X3:2]~[#8:3]" angle="2.0999886730739137 * radian" k="473.9210837191379 * mole**-1 * radian**-2 * kilojoule" id="a15"></Angle>
<Angle smirks="[*:1]~[#6X2:2]~[*:3]" angle="3.10893012396261 * radian" k="410.7028648528734 * mole**-1 * radian**-2 * kilojoule" id="a16"></Angle>
<Angle smirks="[*:1]~[#7X2:2]~[*:3]" angle="3.0145803737662633 * radian" k="510.6512999340615 * mole**-1 * radian**-2 * kilojoule" id="a21"></Angle>
<Angle smirks="[*:1]-[#7X4,#7X3,#7X2-1:2]-[*:3]" angle="1.8910867864914989 * radian" k="527.7545221886244 * mole**-1 * radian**-2 * kilojoule" id="a17"></Angle>
<Angle smirks="[#1:1]-[#7X4,#7X3,#7X2-1:2]-[*:3]" angle="1.906336805548847 * radian" k="308.3257197549701 * mole**-1 * radian**-2 * kilojoule" id="a18"></Angle>
<Angle smirks="[*:1]~[#7X3$(*~[#6X3,#6X2,#7X2+0]):2]~[*:3]" angle="2.0607260158220404 * radian" k="683.6939568587891 * mole**-1 * radian**-2 * kilojoule" id="a19"></Angle>
<Angle smirks="[#1:1]-[#7X3$(*~[#6X3,#6X2,#7X2+0]):2]-[*:3]" angle="2.0373798839757895 * radian" k="291.75503071829604 * mole**-1 * radian**-2 * kilojoule" id="a20"></Angle>
<Angle smirks="[*:1]~[#7X2+0:2]~[*:3]" angle="2.040072144687252 * radian" k="568.2696423755381 * mole**-1 * radian**-2 * kilojoule" id="a22"></Angle>
<Angle smirks="[*:1]~[#7X2+0:2]~[#6X2:3](~[#16X1])" angle="2.5179880122256733 * radian" k="629.5373078874575 * mole**-1 * radian**-2 * kilojoule" id="a22a"></Angle>
<Angle smirks="[#1:1]-[#7X2+0:2]~[*:3]" angle="1.9515081283710867 * radian" k="207.24999154085208 * mole**-1 * radian**-2 * kilojoule" id="a23"></Angle>
<Angle smirks="[#6,#7,#8:1]-[#7X3:2](~[#8X1])~[#8X1:3]" angle="2.05313086072286 * radian" k="695.4265845487411 * mole**-1 * radian**-2 * kilojoule" id="a24"></Angle>
<Angle smirks="[#8X1:1]~[#7X3:2]~[#8X1:3]" angle="2.176674273792395 * radian" k="681.0837607602086 * mole**-1 * radian**-2 * kilojoule" id="a25"></Angle>
<Angle smirks="[*:1]~[#7X2:2]~[#7X1:3]" angle="3.0481315518374266 * radian" k="514.9497615664251 * mole**-1 * radian**-2 * kilojoule" id="a26"></Angle>
<Angle smirks="[*:1]-[#8:2]-[*:3]" angle="1.957938174254492 * radian" k="569.8972665374267 * mole**-1 * radian**-2 * kilojoule" id="a27"></Angle>
<Angle smirks="[#6X3,#7:1]~;@[#8;r:2]~;@[#6X3,#7:3]" angle="2.031351687692708 * radian" k="694.2068315364788 * mole**-1 * radian**-2 * kilojoule" id="a28"></Angle>
<Angle smirks="[*:1]-[#8X2+1:2]=[*:3]" angle="2.1455014058394197 * radian" k="666.809280472642 * mole**-1 * radian**-2 * kilojoule" id="a29"></Angle>
<Angle smirks="[*:1]~[#16X4:2]~[*:3]" angle="1.9302522088254725 * radian" k="676.5951972225424 * mole**-1 * radian**-2 * kilojoule" id="a30"></Angle>
<Angle smirks="[*:1]-[#16X4,#16X3+0:2]-[*:3]" angle="1.782686813432873 * radian" k="749.9024979170449 * mole**-1 * radian**-2 * kilojoule" id="a31"></Angle>
<Angle smirks="[*:1]~[#16X3$(*~[#8X1,#7X2]):2]~[*:3]" angle="1.7858884878828862 * radian" k="612.1374458664994 * mole**-1 * radian**-2 * kilojoule" id="a32"></Angle>
<Angle smirks="[*:1]~[#16X2,#16X3+1:2]~[*:3]" angle="1.726880037825877 * radian" k="663.060369517729 * mole**-1 * radian**-2 * kilojoule" id="a33"></Angle>
<Angle smirks="[*:1]=[#16X2:2]=[*:3]" angle="180.0 * degree" k="140.0 * mole**-1 * radian**-2 * kilocalorie" id="a34"></Angle>
<Angle smirks="[*:1]=[#16X2:2]=[#8:3]" angle="1.965528100499923 * radian" k="542.6225935122459 * mole**-1 * radian**-2 * kilojoule" id="a34a"></Angle>
<Angle smirks="[#6X3:1]-[#16X2:2]-[#6X3:3]" angle="1.7505759148585727 * radian" k="753.9185349411467 * mole**-1 * radian**-2 * kilojoule" id="a35"></Angle>
<Angle smirks="[#6X3:1]-[#16X2:2]-[#6X4:3]" angle="1.6910226155730332 * radian" k="699.3251922523573 * mole**-1 * radian**-2 * kilojoule" id="a36"></Angle>
<Angle smirks="[#6X3:1]-[#16X2:2]-[#1:3]" angle="1.6473278502117537 * radian" k="350.83599165429877 * mole**-1 * radian**-2 * kilojoule" id="a37"></Angle>
<Angle smirks="[*:1]~[#15:2]~[*:3]" angle="1.8989083862804685 * radian" k="530.9753391674876 * mole**-1 * radian**-2 * kilojoule" id="a38"></Angle>
</Angles>
<ProperTorsions version="0.3" potential="k*(1+cos(periodicity*theta-phase))" default_idivf="auto" fractional_bondorder_method="AM1-Wiberg" fractional_bondorder_interpolation="linear">
<Proper smirks="[*:1]-[#6X4:2]-[#6X4:3]-[*:4]" periodicity1="3" phase1="0.0 * degree" id="t1" k1="0.3713592052717 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[#6X4:1]-[#6X4:2]-[#6X4:3]-[#6X4:4]" periodicity1="3" periodicity2="2" periodicity3="1" phase1="0.0 * degree" phase2="180.0 * degree" phase3="180.0 * degree" id="t2" k1="0.1164348133257 * mole**-1 * kilocalorie" k2="0.2491194267913 * mole**-1 * kilocalorie" k3="0.295757514793 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0"></Proper>
<Proper smirks="[#1:1]-[#6X4:2]-[#6X4:3]-[#1:4]" periodicity1="3" phase1="0.0 * degree" id="t3" k1="0.2005394316088 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[#1:1]-[#6X4:2]-[#6X4:3]-[#6X4:4]" periodicity1="3" phase1="0.0 * degree" id="t4" k1="0.08414560911761 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[#8X2:1]-[#6X4:2]-[#6X4:3]-[#8X2:4]" periodicity1="3" periodicity2="2" phase1="0.0 * degree" phase2="0.0 * degree" id="t5" k1="-0.04503392303209 * mole**-1 * kilocalorie" k2="0.5833400847784 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#9:1]-[#6X4:2]-[#6X4:3]-[#9:4]" periodicity1="3" periodicity2="1" phase1="0.0 * degree" phase2="180.0 * degree" id="t6" k1="-0.01988644358668 * mole**-1 * kilocalorie" k2="0.2143541237817 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#17:1]-[#6X4:2]-[#6X4:3]-[#17:4]" periodicity1="3" periodicity2="1" phase1="0.0 * degree" phase2="180.0 * degree" id="t7" k1="0.3012975227259 * mole**-1 * kilocalorie" k2="-0.5331995755095 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#35:1]-[#6X4:2]-[#6X4:3]-[#35:4]" periodicity1="3" periodicity2="1" phase1="0.0 * degree" phase2="180.0 * degree" id="t8" k1="0.08605949279655 * mole**-1 * kilocalorie" k2="-0.1562508078431 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#1:1]-[#6X4:2]-[#6X4:3]-[#8X2:4]" periodicity1="3" periodicity2="1" phase1="0.0 * degree" phase2="0.0 * degree" id="t9" k1="0.08835141016169 * mole**-1 * kilocalorie" k2="0.3217905991249 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#1:1]-[#6X4:2]-[#6X4:3]-[#9:4]" periodicity1="3" periodicity2="1" phase1="0.0 * degree" phase2="0.0 * degree" id="t10" k1="0.09542629794995 * mole**-1 * kilocalorie" k2="0.3413591002661 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#1:1]-[#6X4:2]-[#6X4:3]-[#17:4]" periodicity1="3" periodicity2="1" phase1="0.0 * degree" phase2="0.0 * degree" id="t11" k1="0.1705032356747 * mole**-1 * kilocalorie" k2="0.3854072920815 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#1:1]-[#6X4:2]-[#6X4:3]-[#35:4]" periodicity1="3" periodicity2="1" phase1="0.0 * degree" phase2="0.0 * degree" id="t12" k1="0.2206379367259 * mole**-1 * kilocalorie" k2="0.7782897573814 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[*:1]-[#6X4:2]-[#6X4;r3:3]-[*:4]" periodicity1="1" phase1="0.0 * degree" id="t13" k1="0.08565532425684 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[*:1]-[#6X4:2]-[#6X4;r3:3]-[#6X4;r3:4]" periodicity1="3" phase1="0.0 * degree" id="t14" k1="0.4577778256741 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[*:1]-[#6X4;r3:2]-@[#6X4;r3:3]-[*:4]" periodicity1="2" phase1="0.0 * degree" id="t15" k1="-1.254172436801 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[#6X4;r3:1]-[#6X4;r3:2]-[#6X4;r3:3]-[*:4]" periodicity1="2" periodicity2="1" phase1="0.0 * degree" phase2="0.0 * degree" id="t16" k1="3.656359841852 * mole**-1 * kilocalorie" k2="3.357036752304 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[*:1]~[#6X3:2]-[#6X4:3]-[*:4]" periodicity1="3" phase1="0.0 * degree" id="t17" k1="-0.224455748195 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[*:1]-[#6X4:2]-[#6X3:3]=[*:4]" periodicity1="2" phase1="0.0 * degree" id="t20" k1="-0.4352065063207 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[#1:1]-[#6X4:2]-[#6X3:3]=[#8X1:4]" periodicity1="1" periodicity2="2" periodicity3="3" phase1="0.0 * degree" phase2="0.0 * degree" phase3="180.0 * degree" id="t18" k1="0.4296106913366 * mole**-1 * kilocalorie" k2="0.1078877098811 * mole**-1 * kilocalorie" k3="0.2065859875793 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0"></Proper>
<Proper smirks="[#1:1]-[#6X4:2]-[#6X3:3]=[#6X3:4]" periodicity1="3" periodicity2="1" phase1="180.0 * degree" phase2="0.0 * degree" id="t19" k1="0.1916339650103 * mole**-1 * kilocalorie" k2="0.01819046438541 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#6X3:1]-[#6X4:2]-[#6X3:3]=[#6X3:4]" periodicity1="3" periodicity2="2" phase1="0.0 * degree" phase2="180.0 * degree" id="t21" k1="0.03439057985772 * mole**-1 * kilocalorie" k2="0.1200828613716 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#7X3:1]-[#6X4:2]-[#6X3:3]-[#7X3:4]" periodicity1="1" periodicity2="2" phase1="180.0 * degree" phase2="180.0 * degree" id="t22" k1="-0.06160896685326 * mole**-1 * kilocalorie" k2="0.698681527584 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#6X4:1]-[#6X4:2]-[#6X3:3]-[#7X3:4]" periodicity1="4" periodicity2="2" phase1="0.0 * degree" phase2="0.0 * degree" id="t23" k1="0.1259688855747 * mole**-1 * kilocalorie" k2="0.5629083708879 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#16X2,#16X1-1,#16X3+1:1]-[#6X3:2]-[#6X4:3]-[#1:4]" periodicity1="2" periodicity2="1" phase1="0.0 * degree" phase2="180.0 * degree" id="t24" k1="-0.08473798804003 * mole**-1 * kilocalorie" k2="-0.4165483710062 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#16X2,#16X1-1,#16X3+1:1]-[#6X3:2]-[#6X4:3]-[#7X4,#7X3:4]" periodicity1="4" periodicity2="3" periodicity3="2" periodicity4="2" periodicity5="1" phase1="0.0 * degree" phase2="0.0 * degree" phase3="0.0 * degree" phase4="270.0 * degree" phase5="90.0 * degree" id="t25" k1="0.1901702923603 * mole**-1 * kilocalorie" k2="0.2082261941806 * mole**-1 * kilocalorie" k3="-0.3952154759534 * mole**-1 * kilocalorie" k4="0.5869155503315 * mole**-1 * kilocalorie" k5="0.7124648569549 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0" idivf4="1.0" idivf5="1.0"></Proper>
<Proper smirks="[#16X2,#16X1-1,#16X3+1:1]-[#6X3:2]-[#6X4:3]-[#7X3$(*-[#6X3,#6X2]):4]" periodicity1="4" periodicity2="3" periodicity3="2" periodicity4="2" periodicity5="1" periodicity6="1" phase1="270.0 * degree" phase2="0.0 * degree" phase3="180.0 * degree" phase4="270.0 * degree" phase5="270.0 * degree" phase6="0.0 * degree" id="t26" k1="0.222363449201 * mole**-1 * kilocalorie" k2="0.859052538364 * mole**-1 * kilocalorie" k3="0.3869914716298 * mole**-1 * kilocalorie" k4="0.3368921734216 * mole**-1 * kilocalorie" k5="-0.1365457707684 * mole**-1 * kilocalorie" k6="-0.1974358043539 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0" idivf4="1.0" idivf5="1.0" idivf6="1.0"></Proper>
<Proper smirks="[*:1]-[#6X4;r3:2]-[#6X3:3]~[*:4]" periodicity1="1" phase1="0.0 * degree" id="t27" k1="-0.08417062488718 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[#6X4:1]-[#6X4;r3:2]-[#6X3:3]~[#6X3:4]" periodicity1="4" periodicity2="2" phase1="180.0 * degree" phase2="180.0 * degree" id="t28" k1="0.1348425812651 * mole**-1 * kilocalorie" k2="0.7975377249253 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#1:1]-[#6X4;r3:2]-[#6X3:3]~[#6X3:4]" periodicity1="4" periodicity2="3" periodicity3="2" phase1="180.0 * degree" phase2="0.0 * degree" phase3="180.0 * degree" id="t29" k1="0.01389484634137 * mole**-1 * kilocalorie" k2="-0.3261229304399 * mole**-1 * kilocalorie" k3="0.2993782950921 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0"></Proper>
<Proper smirks="[#6X3:1]-[#6X4;r3:2]-[#6X3:3]-[#7X3:4]" periodicity1="2" periodicity2="1" periodicity3="3" phase1="0.0 * degree" phase2="180.0 * degree" phase3="180.0 * degree" id="t30" k1="1.495885436174 * mole**-1 * kilocalorie" k2="0.798323214025 * mole**-1 * kilocalorie" k3="0.1035170238981 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0"></Proper>
<Proper smirks="[#6X3:1]-[#6X4;r3:2]-[#6X3:3]=[#8X1:4]" periodicity1="2" periodicity2="1" periodicity3="3" phase1="180.0 * degree" phase2="180.0 * degree" phase3="180.0 * degree" id="t31" k1="2.833864424257 * mole**-1 * kilocalorie" k2="-0.3141570565036 * mole**-1 * kilocalorie" k3="0.6815226809959 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0"></Proper>
<Proper smirks="[#6X3:1]-[#6X4;r3:2]-[#6X3:3]~[#6X3:4]" periodicity1="2" phase1="180.0 * degree" id="t32" k1="0.5650218966924 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[#7X3:1]-[#6X4;r3:2]-[#6X3:3]~[#6X3:4]" periodicity1="4" periodicity2="2" phase1="180.0 * degree" phase2="180.0 * degree" id="t33" k1="0.1958321769116 * mole**-1 * kilocalorie" k2="0.1539532052563 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]~[#6X3:4]" periodicity1="4" periodicity2="3" periodicity3="2" phase1="180.0 * degree" phase2="0.0 * degree" phase3="180.0 * degree" id="t34" k1="-0.06094934397766 * mole**-1 * kilocalorie" k2="-0.5576281399815 * mole**-1 * kilocalorie" k3="1.082360078461 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0"></Proper>
<Proper smirks="[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3;r6:3]:[#6X3;r6:4]" periodicity1="4" periodicity2="2" phase1="180.0 * degree" phase2="180.0 * degree" id="t35" k1="0.005431067499394 * mole**-1 * kilocalorie" k2="0.6111533024922 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
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<Proper smirks="[#6X4:1]-[#7X4,#7X3:2]-[#7X4,#7X3:3]-[#6X4:4]" periodicity1="3" periodicity2="2" periodicity3="1" phase1="0.0 * degree" phase2="0.0 * degree" phase3="0.0 * degree" id="t124" k1="0.6761465733405 * mole**-1 * kilocalorie" k2="1.653011589151 * mole**-1 * kilocalorie" k3="1.713184811193 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0"></Proper>
<Proper smirks="[*:1]-[#7X4,#7X3:2]-[#7X3$(*~[#6X3,#6X2]):3]~[*:4]" periodicity1="1" phase1="0.0 * degree" id="t125" k1="0.0207623372754 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
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<Proper smirks="[#6X4:1]-[#16X4,#16X3+0:2]-[#7X2:3]~[#6X3:4]" periodicity1="6" periodicity2="5" periodicity3="4" periodicity4="3" periodicity5="2" periodicity6="1" phase1="0.0 * degree" phase2="0.0 * degree" phase3="0.0 * degree" phase4="0.0 * degree" phase5="180.0 * degree" phase6="0.0 * degree" id="t146" k1="-0.04293656207661 * mole**-1 * kilocalorie" k2="0.05452276164746 * mole**-1 * kilocalorie" k3="-0.006702001785213 * mole**-1 * kilocalorie" k4="0.6025395053532 * mole**-1 * kilocalorie" k5="1.148430499942 * mole**-1 * kilocalorie" k6="0.8640302155923 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0" idivf4="1.0" idivf5="1.0" idivf6="1.0"></Proper>
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<ImproperTorsions version="0.3" potential="k*(1+cos(periodicity*theta-phase))" default_idivf="auto">
<Improper smirks="[*:1]~[#6X3:2](~[*:3])~[*:4]" periodicity1="2" phase1="180.0 * degree" k1="1.1 * mole**-1 * kilocalorie" id="i1"></Improper>
<Improper smirks="[*:1]~[#6X3:2](~[#8X1:3])~[#8:4]" periodicity1="2" phase1="180.0 * degree" k1="10.5 * mole**-1 * kilocalorie" id="i2"></Improper>
<Improper smirks="[*:1]~[#7X3$(*~[#15,#16](!-[*])):2](~[*:3])~[*:4]" periodicity1="2" phase1="180.0 * degree" k1="1.1 * mole**-1 * kilocalorie" id="i2a"></Improper>
<Improper smirks="[*:1]~[#7X3$(*~[#6X3]):2](~[*:3])~[*:4]" periodicity1="2" phase1="180.0 * degree" k1="1.0 * mole**-1 * kilocalorie" id="i3"></Improper>
<Improper smirks="[*:1]~[#7X3$(*~[#7X2]):2](~[*:3])~[*:4]" periodicity1="2" phase1="180.0 * degree" k1="1.1 * mole**-1 * kilocalorie" id="i3a"></Improper>
<Improper smirks="[*:1]~[#7X3$(*@1-[*]=,:[*][*]=,:[*]@1):2](~[*:3])~[*:4]" periodicity1="2" phase1="180.0 * degree" k1="10.5 * mole**-1 * kilocalorie" id="i3b"></Improper>
<Improper smirks="[*:1]~[#6X3:2](=[#7X2,#7X3+1:3])~[#7:4]" periodicity1="2" phase1="180.0 * degree" k1="10.5 * mole**-1 * kilocalorie" id="i4"></Improper>
</ImproperTorsions>
<vdW version="0.3" potential="Lennard-Jones-12-6" combining_rules="Lorentz-Berthelot" scale12="0.0" scale13="0.0" scale14="0.5" scale15="1.0" cutoff="9.0 * angstrom" switch_width="1.0 * angstrom" method="cutoff">
<Atom smirks="[#1:1]" epsilon="0.0157 * mole**-1 * kilocalorie" id="n1" rmin_half="0.6 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#6X4]" epsilon="0.0157 * mole**-1 * kilocalorie" id="n2" rmin_half="1.487 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#6X4]-[#7,#8,#9,#16,#17,#35]" epsilon="0.0157 * mole**-1 * kilocalorie" id="n3" rmin_half="1.387 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#6X4](-[#7,#8,#9,#16,#17,#35])-[#7,#8,#9,#16,#17,#35]" epsilon="0.0157 * mole**-1 * kilocalorie" id="n4" rmin_half="1.287 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#6X4](-[#7,#8,#9,#16,#17,#35])(-[#7,#8,#9,#16,#17,#35])-[#7,#8,#9,#16,#17,#35]" epsilon="0.0157 * mole**-1 * kilocalorie" id="n5" rmin_half="1.187 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#6X4]~[*+1,*+2]" epsilon="0.0157 * mole**-1 * kilocalorie" id="n6" rmin_half="1.1 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#6X3]" epsilon="0.015 * mole**-1 * kilocalorie" id="n7" rmin_half="1.459 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#6X3]~[#7,#8,#9,#16,#17,#35]" epsilon="0.015 * mole**-1 * kilocalorie" id="n8" rmin_half="1.409 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#6X3](~[#7,#8,#9,#16,#17,#35])~[#7,#8,#9,#16,#17,#35]" epsilon="0.015 * mole**-1 * kilocalorie" id="n9" rmin_half="1.359 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#6X2]" epsilon="0.015 * mole**-1 * kilocalorie" id="n10" rmin_half="1.459 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#7]" epsilon="0.0157 * mole**-1 * kilocalorie" id="n11" rmin_half="0.6 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#8]" epsilon="5.27e-05 * mole**-1 * kilocalorie" id="n12" rmin_half="0.3 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#16]" epsilon="0.0157 * mole**-1 * kilocalorie" id="n13" rmin_half="0.6 * angstrom"></Atom>
<Atom smirks="[#6:1]" epsilon="0.086 * mole**-1 * kilocalorie" id="n14" rmin_half="1.908 * angstrom"></Atom>
<Atom smirks="[#6X2:1]" epsilon="0.21 * mole**-1 * kilocalorie" id="n15" rmin_half="1.908 * angstrom"></Atom>
<Atom smirks="[#6X4:1]" epsilon="0.1094 * mole**-1 * kilocalorie" id="n16" rmin_half="1.908 * angstrom"></Atom>
<Atom smirks="[#8:1]" epsilon="0.21 * mole**-1 * kilocalorie" id="n17" rmin_half="1.6612 * angstrom"></Atom>
<Atom smirks="[#8X2H0+0:1]" epsilon="0.17 * mole**-1 * kilocalorie" id="n18" rmin_half="1.6837 * angstrom"></Atom>
<Atom smirks="[#8X2H1+0:1]" epsilon="0.2104 * mole**-1 * kilocalorie" id="n19" rmin_half="1.721 * angstrom"></Atom>
<Atom smirks="[#7:1]" epsilon="0.17 * mole**-1 * kilocalorie" id="n20" rmin_half="1.824 * angstrom"></Atom>
<Atom smirks="[#16:1]" epsilon="0.25 * mole**-1 * kilocalorie" id="n21" rmin_half="2.0 * angstrom"></Atom>
<Atom smirks="[#15:1]" epsilon="0.2 * mole**-1 * kilocalorie" id="n22" rmin_half="2.1 * angstrom"></Atom>
<Atom smirks="[#9:1]" epsilon="0.061 * mole**-1 * kilocalorie" id="n23" rmin_half="1.75 * angstrom"></Atom>
<Atom smirks="[#17:1]" epsilon="0.265 * mole**-1 * kilocalorie" id="n24" rmin_half="1.948 * angstrom"></Atom>
<Atom smirks="[#35:1]" epsilon="0.32 * mole**-1 * kilocalorie" id="n25" rmin_half="2.22 * angstrom"></Atom>
<Atom smirks="[#53:1]" epsilon="0.4 * mole**-1 * kilocalorie" id="n26" rmin_half="2.35 * angstrom"></Atom>
<Atom smirks="[#3+1:1]" epsilon="0.0279896 * mole**-1 * kilocalorie" id="n27" rmin_half="1.025 * angstrom"></Atom>
<Atom smirks="[#11+1:1]" epsilon="0.0874393 * mole**-1 * kilocalorie" id="n28" rmin_half="1.369 * angstrom"></Atom>
<Atom smirks="[#19+1:1]" epsilon="0.1936829 * mole**-1 * kilocalorie" id="n29" rmin_half="1.705 * angstrom"></Atom>
<Atom smirks="[#37+1:1]" epsilon="0.3278219 * mole**-1 * kilocalorie" id="n30" rmin_half="1.813 * angstrom"></Atom>
<Atom smirks="[#55+1:1]" epsilon="0.4065394 * mole**-1 * kilocalorie" id="n31" rmin_half="1.976 * angstrom"></Atom>
<Atom smirks="[#9X0-1:1]" epsilon="0.003364 * mole**-1 * kilocalorie" id="n32" rmin_half="2.303 * angstrom"></Atom>
<Atom smirks="[#17X0-1:1]" epsilon="0.035591 * mole**-1 * kilocalorie" id="n33" rmin_half="2.513 * angstrom"></Atom>
<Atom smirks="[#35X0-1:1]" epsilon="0.0586554 * mole**-1 * kilocalorie" id="n34" rmin_half="2.608 * angstrom"></Atom>
<Atom smirks="[#53X0-1:1]" epsilon="0.0536816 * mole**-1 * kilocalorie" id="n35" rmin_half="2.86 * angstrom"></Atom>
</vdW>
<Electrostatics version="0.3" scale12="0.0" scale13="0.0" scale14="0.8333333333" scale15="1.0" cutoff="9.0 * angstrom" switch_width="0.0 * angstrom" method="PME"></Electrostatics>
<LibraryCharges version="0.3">
<LibraryCharge smirks="[#3+1:1]" charge1="1.0 * elementary_charge" name="Li+"></LibraryCharge>
<LibraryCharge smirks="[#11+1:1]" charge1="1.0 * elementary_charge" name="Na+"></LibraryCharge>
<LibraryCharge smirks="[#19+1:1]" charge1="1.0 * elementary_charge" name="K+"></LibraryCharge>
<LibraryCharge smirks="[#37+1:1]" charge1="1.0 * elementary_charge" name="Rb+"></LibraryCharge>
<LibraryCharge smirks="[#55+1:1]" charge1="1.0 * elementary_charge" name="Cs+"></LibraryCharge>
<LibraryCharge smirks="[#9X0-1:1]" charge1="-1.0 * elementary_charge" name="F-"></LibraryCharge>
<LibraryCharge smirks="[#17X0-1:1]" charge1="-1.0 * elementary_charge" name="Cl-"></LibraryCharge>
<LibraryCharge smirks="[#35X0-1:1]" charge1="-1.0 * elementary_charge" name="Br-"></LibraryCharge>
<LibraryCharge smirks="[#53X0-1:1]" charge1="-1.0 * elementary_charge" name="I-"></LibraryCharge>
</LibraryCharges>
<ToolkitAM1BCC version="0.3"></ToolkitAM1BCC>
</SMIRNOFF>