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sage-behara.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>2021-08-16</Date>
<Constraints version="0.3">
<Constraint smirks="[#1:1]-[#8X2H2+0:2]-[#1]" id="c-tip3p-H-O" distance="0.9572 * angstrom"></Constraint>
<Constraint smirks="[#1:1]-[#8X2H2+0]-[#1:2]" id="c-tip3p-H-O-H" distance="1.5139006545247014 * angstrom"></Constraint>
</Constraints>
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<Angle smirks="[!#1:1]-[#6r4:2]-;!@[#1:3]" angle="112.7202774231 * degree" k="130.6916042612 * mole**-1 * radian**-2 * kilocalorie" id="a9"></Angle>
<Angle smirks="[*:1]~[#6X3:2]~[*:3]" angle="120.4462561669 * degree" k="117.3379903481 * mole**-1 * radian**-2 * kilocalorie" id="a10"></Angle>
<Angle smirks="[#1:1]-[#6X3:2]~[*:3]" angle="116.7191519145 * degree" k="54.77616781386 * mole**-1 * radian**-2 * kilocalorie" id="a11"></Angle>
<Angle smirks="[#1:1]-[#6X3:2]-[#1:3]" angle="107.9258926624 * degree" k="61.54803075542 * mole**-1 * radian**-2 * kilocalorie" id="a12"></Angle>
<Angle smirks="[*;r6:1]~;@[*;r5:2]~;@[*;r5;x2:3]" angle="122.2936519372 * degree" k="122.9584932918 * mole**-1 * radian**-2 * kilocalorie" id="a13"></Angle>
<Angle smirks="[*:1]~;!@[*;X3;r5:2]~;@[*;r5:3]" angle="124.8466702631 * degree" k="52.45467525667 * mole**-1 * radian**-2 * kilocalorie" id="a14"></Angle>
<Angle smirks="[#8X1:1]~[#6X3:2]~[#8:3]" angle="128.5774633662 * degree" k="99.23302213243 * mole**-1 * radian**-2 * kilocalorie" id="a15"></Angle>
<Angle smirks="[*:1]~[#6X2:2]~[*:3]" angle="178.1285749041414 * degree" k="100.9924598306 * mole**-1 * radian**-2 * kilocalorie" id="a16"></Angle>
<Angle smirks="[*:1]~[#7X2:2]~[*:3]" angle="172.72273241977712 * degree" k="121.6494937862 * mole**-1 * radian**-2 * kilocalorie" id="a17"></Angle>
<Angle smirks="[*:1]~[#7X4,#7X3,#7X2-1:2]~[*:3]" angle="109.8772892421 * degree" k="108.2255258171 * mole**-1 * radian**-2 * kilocalorie" id="a18"></Angle>
<Angle smirks="[#1:1]-[#7X4,#7X3,#7X2-1:2]-[*:3]" angle="109.8385262882 * degree" k="105.2152786457 * mole**-1 * radian**-2 * kilocalorie" id="a19"></Angle>
<Angle smirks="[*:1]~[#7X3$(*~[#6X3,#6X2,#7X2+0]):2]~[*:3]" angle="118.2944597991 * degree" k="143.9534816443 * mole**-1 * radian**-2 * kilocalorie" id="a20"></Angle>
<Angle smirks="[#1:1]-[#7X3$(*~[#6X3,#6X2,#7X2+0]):2]-[*:3]" angle="116.3248178185 * degree" k="83.6159878608 * mole**-1 * radian**-2 * kilocalorie" id="a21"></Angle>
<Angle smirks="[*:1]~[#7X2+0:2]~[*:3]" angle="117.2274204193 * degree" k="123.9162008106 * mole**-1 * radian**-2 * kilocalorie" id="a22"></Angle>
<Angle smirks="[*:1]~[#7X2+0:2]~[#6X2:3](~[#16X1])" angle="147.8870707871 * degree" k="150.4614805386 * mole**-1 * radian**-2 * kilocalorie" id="a23"></Angle>
<Angle smirks="[#1:1]-[#7X2+0:2]~[*:3]" angle="122.8023544837 * degree" k="110.3071756589 * mole**-1 * radian**-2 * kilocalorie" id="a24"></Angle>
<Angle smirks="[#6,#7,#8:1]-[#7X3:2](~[#8X1])~[#8X1:3]" angle="123.5821894633 * degree" k="167.0044666714 * mole**-1 * radian**-2 * kilocalorie" id="a25"></Angle>
<Angle smirks="[#8X1:1]~[#7X3:2]~[#8X1:3]" angle="126.8159160761 * degree" k="165.7984786202 * mole**-1 * radian**-2 * kilocalorie" id="a26"></Angle>
<Angle smirks="[*:1]~[#7X2:2]~[#7X1:3]" angle="174.64507332094666 * degree" k="123.061195372 * mole**-1 * radian**-2 * kilocalorie" id="a27"></Angle>
<Angle smirks="[*:1]-[#8:2]-[*:3]" angle="111.6550759717 * degree" k="130.8003296306 * mole**-1 * radian**-2 * kilocalorie" id="a28"></Angle>
<Angle smirks="[#6X3,#7:1]~;@[#8;r:2]~;@[#6X3,#7:3]" angle="115.6408661479 * degree" k="194.061282111 * mole**-1 * radian**-2 * kilocalorie" id="a29"></Angle>
<Angle smirks="[*:1]-[#8X2+1:2]=[*:3]" angle="128.3729054253 * degree" k="136.2091710852 * mole**-1 * radian**-2 * kilocalorie" id="a30"></Angle>
<Angle smirks="[*:1]~[#16X4:2]~[*:3]" angle="113.6264278447 * degree" k="107.696242874 * mole**-1 * radian**-2 * kilocalorie" id="a31"></Angle>
<Angle smirks="[*:1]-[#16X4,#16X3+0:2]-[*:3]" angle="107.0321137628 * degree" k="149.0386799922 * mole**-1 * radian**-2 * kilocalorie" id="a32"></Angle>
<Angle smirks="[*:1]~[#16X3$(*~[#8X1,#7X2]):2]~[*:3]" angle="101.1596123141 * degree" k="173.17939644 * mole**-1 * radian**-2 * kilocalorie" id="a33"></Angle>
<Angle smirks="[*:1]~[#16X2,#16X3+1:2]~[*:3]" angle="101.7263453828 * degree" k="121.0923967108 * mole**-1 * radian**-2 * kilocalorie" id="a34"></Angle>
<Angle smirks="[*:1]=[#16X2:2]=[*:3]" angle="180.0 * degree" k="140.0 * mole**-1 * radian**-2 * kilocalorie" id="a35"></Angle>
<Angle smirks="[*:1]=[#16X2:2]=[#8:3]" angle="111.2182961152 * degree" k="129.6481145544 * mole**-1 * radian**-2 * kilocalorie" id="a36"></Angle>
<Angle smirks="[#6X3:1]-[#16X2:2]-[#6X3:3]" angle="98.55698133831 * degree" k="140.2988131905 * mole**-1 * radian**-2 * kilocalorie" id="a37"></Angle>
<Angle smirks="[#6X3:1]-[#16X2:2]-[#6X4:3]" angle="96.9520614883 * degree" k="117.6336135173 * mole**-1 * radian**-2 * kilocalorie" id="a38"></Angle>
<Angle smirks="[#6X3:1]-[#16X2:2]-[#1:3]" angle="96.40466291982 * degree" k="86.24766030915 * mole**-1 * radian**-2 * kilocalorie" id="a39"></Angle>
<Angle smirks="[*:1]~[#15:2]~[*:3]" angle="122.3066427061 * degree" k="109.6360795461 * mole**-1 * radian**-2 * kilocalorie" id="a40"></Angle>
</Angles>
<ProperTorsions version="0.4" 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="0.1332833761763 * 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="0.3258520682227 * mole**-1 * kilocalorie" k2="0.2840643438826 * mole**-1 * kilocalorie" k3="0.3657528729622 * 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="0.243752318113 * 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="0.08013510413339 * 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="-0.04893546454305 * mole**-1 * kilocalorie" k2="0.4063643026386 * 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="0.03062502918586 * mole**-1 * kilocalorie" k2="-0.2862603006863 * 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="0.5395136556887 * mole**-1 * kilocalorie" k2="-1.445442152859 * 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="1.522129440735 * mole**-1 * kilocalorie" k2="-0.06073160483604 * 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="0.1061777393829 * mole**-1 * kilocalorie" k2="0.3776712876595 * 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="0.1079031772813 * mole**-1 * kilocalorie" k2="0.3776626826922 * 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="0.106975023201 * mole**-1 * kilocalorie" k2="0.5619132996102 * 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="0.1280551574916 * mole**-1 * kilocalorie" k2="0.4119774385973 * 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="1.679934423088 * 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="0.522537550908 * 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="-2.587422249191 * 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="0.7472565242067 * mole**-1 * kilocalorie" k2="9.341932214841 * 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="0.09168485727664 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[*:1]-[#6X4:2]-[#6X3:3]=[*:4]" periodicity1="2" phase1="0.0 * degree" id="t18" k1="-0.1892404337724 * 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="t19" k1="0.8692382738464 * mole**-1 * kilocalorie" k2="0.4495010003986 * mole**-1 * kilocalorie" k3="-0.0498962133154 * 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="t20" k1="0.2913275009604 * mole**-1 * kilocalorie" k2="0.3208828917626 * 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="-0.1352466289217 * mole**-1 * kilocalorie" k2="0.3890651558381 * 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="-0.1594740855437 * mole**-1 * kilocalorie" k2="0.5113230318317 * 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="-0.2119835667136 * mole**-1 * kilocalorie" k2="0.18900617567 * 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="-0.3215044935758 * mole**-1 * kilocalorie" k2="-0.5934557814477 * 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="-0.2109443759898 * mole**-1 * kilocalorie" k2="-0.4622358807483 * mole**-1 * kilocalorie" k3="-0.8310827524273 * mole**-1 * kilocalorie" k4="0.1727838897369 * mole**-1 * kilocalorie" k5="0.1693219232368 * 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="0.4323534523811 * mole**-1 * kilocalorie" k2="0.3260460984811 * mole**-1 * kilocalorie" k3="0.4784399908511 * mole**-1 * kilocalorie" k4="0.0546520886487 * mole**-1 * kilocalorie" k5="-0.02716893492696 * mole**-1 * kilocalorie" k6="0.1217700667645 * 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="-0.01306086151584 * 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="0.6607569040497 * mole**-1 * kilocalorie" k2="-0.0408470106528 * 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="0.1873343375703 * mole**-1 * kilocalorie" k2="-0.09781875515877 * mole**-1 * kilocalorie" k3="-0.2257041505421 * 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="-1.130504657021 * mole**-1 * kilocalorie" k2="0.8268318547126 * mole**-1 * kilocalorie" k3="-0.3723393293646 * 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="1.195731501595 * mole**-1 * kilocalorie" k2="-0.2732467706082 * mole**-1 * kilocalorie" k3="0.04555492595041 * 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="-0.2380167432989 * 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="0.2239641157619 * mole**-1 * kilocalorie" k2="-0.1584568962081 * 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="0.2979028264765 * mole**-1 * kilocalorie" k2="-1.648388334699 * mole**-1 * kilocalorie" k3="2.677953222658 * 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="0.1583162745768 * mole**-1 * kilocalorie" k2="1.336238889923 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
<Proper smirks="[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3;r5:3]-;@[#6X3;r5:4]" periodicity1="4" periodicity2="3" periodicity3="2" phase1="180.0 * degree" phase2="0.0 * degree" phase3="180.0 * degree" id="t36" k1="0.1070436366603 * mole**-1 * kilocalorie" k2="0.6913232532209 * mole**-1 * kilocalorie" k3="2.178352046844 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0" idivf3="1.0"></Proper>
<Proper smirks="[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3;r5:3]=;@[#6X3;r5:4]" periodicity1="1" phase1="180.0 * degree" id="t37" k1="0.291331698148 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
<Proper smirks="[#6X4;r3:1]-;@[#6X4;r3:2]-[#6X3:3]-[#6X4:4]" periodicity1="1" phase1="0.0 * degree" id="t38" k1="1.148298119405 * mole**-1 * kilocalorie" idivf1="1.0"></Proper>
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<Proper smirks="[#1:1]-[#6X4:2]-[#7X3:3]-[#7X2:4]=[#7X2,#8X1]" periodicity1="3" periodicity2="2" phase1="0.0 * degree" phase2="180.0 * degree" id="t55" k1="0.1086983718843 * mole**-1 * kilocalorie" k2="3.563878980307 * mole**-1 * kilocalorie" idivf1="1.0" idivf2="1.0"></Proper>
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<Improper smirks="[*:1]~[#6X3:2](~[*:3])~[*:4]" periodicity1="2" phase1="180.0 * degree" k1="4.618619709448 * mole**-1 * kilocalorie" id="i1"></Improper>
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<Improper smirks="[*:1]~[#7X3$(*~[#15,#16](!-[*])):2](~[*:3])~[*:4]" periodicity1="2" phase1="180.0 * degree" k1="14.53561874678 * mole**-1 * kilocalorie" id="i3"></Improper>
<Improper smirks="[*:1]~[#7X3$(*~[#6X3]):2](~[*:3])~[*:4]" periodicity1="2" phase1="180.0 * degree" k1="1.212439784493 * mole**-1 * kilocalorie" id="i4"></Improper>
<Improper smirks="[*:1]~[#7X3$(*~[#7X2]):2](~[*:3])~[*:4]" periodicity1="2" phase1="180.0 * degree" k1="-0.1766639432013 * mole**-1 * kilocalorie" id="i5"></Improper>
<Improper smirks="[*:1]~[#7X3$(*@1-[*]=,:[*][*]=,:[*]@1):2](~[*:3])~[*:4]" periodicity1="2" phase1="180.0 * degree" k1="16.80871222794 * mole**-1 * kilocalorie" id="i6"></Improper>
<Improper smirks="[*:1]~[#6X3:2](=[#7X2,#7X3+1:3])~[#7:4]" periodicity1="2" phase1="180.0 * degree" k1="10.17496752315 * mole**-1 * kilocalorie" id="i7"></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="0.01577948280971 * mole**-1 * kilocalorie" id="n2" rmin_half="1.48419980825 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#6X4]-[#7,#8,#9,#16,#17,#35]" epsilon="0.01640924602775 * mole**-1 * kilocalorie" id="n3" rmin_half="1.449786411317 * 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="0.01561134320353 * mole**-1 * kilocalorie" id="n7" rmin_half="1.443812569645 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#6X3]~[#7,#8,#9,#16,#17,#35]" epsilon="0.01310699839698 * mole**-1 * kilocalorie" id="n8" rmin_half="1.377051329051 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#6X3](~[#7,#8,#9,#16,#17,#35])~[#7,#8,#9,#16,#17,#35]" epsilon="0.01479744504464 * mole**-1 * kilocalorie" id="n9" rmin_half="1.370482808197 * 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="0.01409081474669 * mole**-1 * kilocalorie" id="n11" rmin_half="0.6192778454102 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#8]" epsilon="1.232599966667e-05 * mole**-1 * kilocalorie" id="n12" rmin_half="0.2999999999997 * 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="0.0868793154488 * mole**-1 * kilocalorie" id="n14" rmin_half="1.953447017081 * 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="0.1088406109251 * mole**-1 * kilocalorie" id="n16" rmin_half="1.896698071741 * angstrom"></Atom>
<Atom smirks="[#8:1]" epsilon="0.2102061007896 * mole**-1 * kilocalorie" id="n17" rmin_half="1.706036917087 * angstrom"></Atom>
<Atom smirks="[#8X2H0+0:1]" epsilon="0.1684651402602 * mole**-1 * kilocalorie" id="n18" rmin_half="1.697783613804 * angstrom"></Atom>
<Atom smirks="[#8X2H1+0:1]" epsilon="0.2094735324129 * mole**-1 * kilocalorie" id="n19" rmin_half="1.682099169199 * angstrom"></Atom>
<Atom smirks="[#7:1]" epsilon="0.1676915150424 * mole**-1 * kilocalorie" id="n20" rmin_half="1.799798315098 * 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="0.2656001046527 * mole**-1 * kilocalorie" id="n24" rmin_half="1.85628721824 * angstrom"></Atom>
<Atom smirks="[#35:1]" epsilon="0.3218986365974 * mole**-1 * kilocalorie" id="n25" rmin_half="1.969806594135 * 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>
<Atom smirks="[#1]-[#8X2H2+0:1]-[#1]" epsilon="0.1521 * mole**-1 * kilocalorie" id="n-tip3p-O" sigma="3.1507 * angstrom"></Atom>
<Atom smirks="[#1:1]-[#8X2H2+0]-[#1]" epsilon="0 * mole**-1 * kilocalorie" id="n-tip3p-H" sigma="1 * 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>
<LibraryCharge smirks="[#1]-[#8X2H2+0:1]-[#1]" charge1="-0.834 * elementary_charge" id="q-tip3p-O"></LibraryCharge>
<LibraryCharge smirks="[#1:1]-[#8X2H2+0]-[#1]" charge1="0.417 * elementary_charge" id="q-tip3p-H"></LibraryCharge>
</LibraryCharges>
<ToolkitAM1BCC version="0.3"></ToolkitAM1BCC>
</SMIRNOFF>