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-1 1 0.000601 
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-1 1 0.000931 
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-1 1 0.001286 
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-1 1 0.001671 
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-1 1 0.002094 
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-1 1 0.002565 
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C       -0.7023650        1.0256960       -0.9388320
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40
-1 1 0.003094 
C       -2.4928490       -0.4164800        0.0751690
H       -2.0708320       -1.2265120       -0.5242820
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H       -3.5062010       -1.9232810        1.2421050
C       -1.4516740        0.6759100        0.1927900
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C       -0.6974710        1.0222000       -0.9359090
C       -0.5264200        2.6129810        1.3353030
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C        0.0745390        2.1809720       -0.9566710
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C        0.1333640        3.0050750        0.1714700
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H       -5.0476280        2.2811680       -0.7204960
H       -4.2220080        1.8421990        0.7891250
40
-1 1 0.003695 
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-1 1 0.005174 
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-1 1 0.006079 
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-1 1 0.007107 
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-1 1 0.008262 
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-1 1 0.009540 
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-1 1 0.010937 
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-1 1 0.012447 
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-1 1 0.014063 
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-1 1 0.021390 
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-1 1 0.023388 
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-1 1 0.027521 
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-1 1 0.029639 
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40
-1 1 0.031782 
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-1 1 0.033944 
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-1 1 0.036120 
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-1 1 0.038305 
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40
-1 1 0.040491 
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40
-1 1 0.042674 
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40
-1 1 0.044848 
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40
-1 1 0.047009 
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40
-1 1 0.049152 
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-1 1 0.051274 
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-1 1 0.055419 
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-1 1 0.057423 
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-1 1 0.059366 
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-1 1 0.061236 
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-1 1 0.063015 
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-1 1 0.064676 
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40
-1 1 0.066189 
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-1 1 0.067524 
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-1 1 0.068654 
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-1 1 0.069551 
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-1 1 0.070194 
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-1 1 0.070575 
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-1 1 0.070699 
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-1 1 0.070579 
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-1 1 0.070235 
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40
-1 1 0.069691 
C       -1.9180350       -0.7421040        0.3639180
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40
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-1 1 0.064756 
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-1 1 0.063486 
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-1 1 0.062180 
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-1 1 0.060867 
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40
-1 1 0.059577 
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-1 1 0.058341 
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-1 1 0.057187 
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-1 1 0.056137 
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40
-1 1 0.055203 
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-1 1 0.054382 
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-1 1 0.053661 
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-1 1 0.053024 
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-1 1 0.052457 
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-1 1 0.051948 
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40
-1 1 0.051490 
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-1 1 0.051073 
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40
-1 1 0.050693 
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40
-1 1 0.050343 
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40
-1 1 0.050022 
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40
-1 1 0.049724 
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40
-1 1 0.049447 
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40
-1 1 0.049188 
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40
-1 1 0.048947 
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40
-1 1 0.048720 
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-1 1 0.048507 
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-1 1 0.048307 
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-1 1 0.048119 
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40
-1 1 0.047943 
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-1 1 0.047779 
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-1 1 0.047625 
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40
-1 1 0.047481 
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40
-1 1 0.047348 
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40
-1 1 0.047223 
C       -1.6368510       -0.8952550        0.5252370
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40
-1 1 0.047106 
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40
-1 1 0.046997 
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40
-1 1 0.046895 
C       -1.6285370       -0.8967650        0.5312880
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40
-1 1 0.046800 
C       -1.6258540       -0.8973330        0.5330030
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40
-1 1 0.046711 
C       -1.6232170       -0.8979330        0.5345430
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40
-1 1 0.046628 
C       -1.6206240       -0.8985670        0.5358920
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40
-1 1 0.046549 
C       -1.6180730       -0.8992290        0.5370370
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40
-1 1 0.046476 
C       -1.6155610       -0.8999180        0.5379720
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H       -3.0394240       -2.1658400        1.5189360
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C       -0.6203110        0.9529860       -0.8262430
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H        0.3249600        2.5411860       -1.9287960
H        0.4433730        4.0658570        0.0342560
S       -4.3907800        0.3822180       -1.3884310
C       -4.1086700        1.8670240       -0.3431190
H       -3.1854700        2.3890620       -0.6229900
H       -4.9327780        2.5835700       -0.4351690
H       -4.0230320        1.6082710        0.7200640
40
-1 1 0.046406 
C       -1.6130690       -0.9006360        0.5386900
H       -1.9202070       -1.2619470       -0.4444590
O       -0.5147750       -1.7800930        1.0112040
S        0.6178700       -2.2783400        0.0008970
O        1.2068520       -3.4337500        0.6625740
O        0.0538980       -2.4412400       -1.3331280
C        1.7895020       -0.9478970       -0.0301620
C        2.0275180       -0.2108170        1.1297130
C        2.4564670       -0.6768160       -1.2198850
C        2.9387770        0.8361860        1.0781350
H        1.4917370       -0.4328820        2.0476940
C        3.3788300        0.3682180       -1.2460750
H        2.2472000       -1.2543200       -2.1150660
C        3.6241150        1.1424340       -0.1073900
H        3.1186430        1.4318100        1.9695120
H        3.9044850        0.5923930       -2.1700860
C        4.5800130        2.3033640       -0.1477530
H        4.0263600        3.2491300       -0.1411750
H        5.2355990        2.3014980        0.7277180
H        5.1964130        2.2772940       -1.0491100
C       -2.7215250       -1.1209900        1.5449620
H       -2.3974990       -0.8794150        2.5607010
H       -3.5717340       -0.4933820        1.2668210
H       -3.0373160       -2.1671120        1.5184220
C       -1.1011430        0.5159360        0.4129580
C       -1.0364330        1.3780570        1.5100110
C       -0.6215330        0.9542500       -0.8252950
C       -0.4894260        2.6551530        1.3736150
H       -1.4076840        1.0600490        2.4802580
C       -0.0616230        2.2226430       -0.9633980
H       -0.6796560        0.2887990       -1.6838070
C        0.0068040        3.0769640        0.1396830
H       -0.4465250        3.3179560        2.2330290
H        0.3183110        2.5451020       -1.9287110
H        0.4396580        4.0678380        0.0356530
S       -4.3987580        0.3860010       -1.3945250
C       -4.1097500        1.8670330       -0.3456700
H       -3.1857600        2.3872190       -0.6263240
H       -4.9319760        2.5862500       -0.4336330
H       -4.0222830        1.6050360        0.7165440
40
-1 1 0.046340 
C       -1.6105980       -0.9013810        0.5391980
H       -1.9160180       -1.2625760       -0.4445820
O       -0.5130340       -1.7808040        1.0128980
S        0.6197850       -2.2795660        0.0027840
O        1.2091330       -3.4342490        0.6653490
O        0.0555020       -2.4435850       -1.3309570
C        1.7908150       -0.9487050       -0.0295820
C        2.0307760       -0.2126190        1.1305260
C        2.4553290       -0.6762450       -1.2203640
C        2.9414580        0.8348390        1.0781340
H        1.4969470       -0.4358140        2.0493800
C        3.3771860        0.3692170       -1.2473750
H        2.2445510       -1.2530510       -2.1156350
C        3.6243000        1.1425200       -0.1084600
H        3.1228260        1.4297010        1.9697120
H        3.9009470        0.5944780       -2.1721970
C        4.5794160        2.3040570       -0.1496400
H        4.0251550        3.2494580       -0.1416360
H        5.2363750        2.3020960        0.7247980
H        5.1944000        2.2789210       -1.0519880
C       -2.7211020       -1.1218400        1.5431690
H       -2.4001220       -0.8781120        2.5593450
H       -3.5714870       -0.4958120        1.2618470
H       -3.0353880       -2.1684310        1.5174490
C       -1.0990100        0.5153920        0.4144080
C       -1.0321660        1.3761260        1.5124960
C       -0.6226450        0.9555530       -0.8243900
C       -0.4870110        2.6539820        1.3762100
H       -1.4002810        1.0564180        2.4833790
C       -0.0649710        2.2249730       -0.9625120
H       -0.6819030        0.2908940       -1.6834620
C        0.0050780        3.0780750        0.1413470
H       -0.4424340        3.3157290        2.2363480
H        0.3119860        2.5490680       -1.9284390
H        0.4361090        4.0697420        0.0373380
S       -4.4067720        0.3898080       -1.4004340
C       -4.1109690        1.8671750       -0.3482210
H       -3.1862730        2.3855900       -0.6297700
H       -4.9313840        2.5889400       -0.4321100
H       -4.0215790        1.6020350        0.7130280
