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xanthone_d5mC.xyz
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39
Molecule Name
C 2.66680 0.58280 3.63060
C 2.60110 1.71670 2.81750
C 2.45750 -0.83340 1.68350
C 2.59500 -0.69100 3.06450
C 2.18030 3.85180 -1.35660
H 2.25590 4.79780 -0.82640
C 2.01950 3.84470 -2.74390
C 1.91780 2.63440 -3.43020
C 1.97620 1.42900 -2.73050
H 2.77300 0.69300 4.70750
H 2.65740 2.70650 3.26380
H 2.40020 -1.82630 1.24320
H 2.64490 -1.57260 3.69940
H 1.97300 4.78300 -3.29200
H 1.79840 2.62600 -4.51220
H 1.89330 0.49080 -3.27360
O 2.25650 -0.91010 -1.13580
C 2.25510 0.18480 -0.58400
O 2.41070 2.74150 0.70640
C 2.24690 2.64700 -0.65380
C 2.46260 1.57910 1.43520
C 2.39100 0.30570 0.87490
C 2.15080 1.44030 -1.34410
N 4.23310 -0.41500 -4.78080
C 4.51430 -0.92300 -3.61680
C 5.58840 -0.39720 -2.72230
C 6.23780 0.66940 -3.19580
H 7.04620 1.15460 -2.65970
O 4.69810 1.23100 -6.29350
C 4.92730 0.68160 -5.21920
C 5.89260 -1.07550 -1.43080
H 6.74960 -0.61600 -0.92670
H 5.04010 -1.01710 -0.74890
H 6.13520 -2.13000 -1.59690
N 5.90820 1.19440 -4.40740
H 6.39090 1.99990 -4.78140
N 3.74100 -1.98720 -3.22820
H 3.31070 -1.84300 -2.30740
H 2.99160 -2.13000 -3.89900
39
Molecule Name
C 1.49570 -0.11060 3.24620
C 0.96460 0.74490 2.27810
C 3.60310 -0.15090 2.06370
C 2.81350 -0.55800 3.13940
C 1.26760 3.30600 -1.66000
H 0.23120 3.59100 -1.49740
C 1.95910 3.80490 -2.76620
C 3.29050 3.44680 -2.97870
C 3.93300 2.58930 -2.08550
H 0.88110 -0.42780 4.08570
H -0.06240 1.09050 2.36630
H 4.63030 -0.49880 1.98190
H 3.22570 -1.22290 3.89510
H 1.46080 4.47420 -3.46390
H 3.83000 3.82950 -3.84330
H 4.97160 2.31780 -2.25790
O 5.01100 0.72470 -0.22690
C 3.87260 1.14440 -0.05030
O 1.15400 1.99240 0.29030
C 1.90530 2.44140 -0.76800
C 1.75120 1.15580 1.20050
C 3.06600 0.70670 1.09830
C 3.23340 2.08140 -0.98750
N 5.52210 0.35220 -4.35620
C 5.30680 -0.45140 -3.35620
C 4.08000 -1.29200 -3.21970
C 3.18660 -1.14070 -4.20080
H 2.25240 -1.69020 -4.23870
O 4.69390 1.23200 -6.29370
C 4.57200 0.47330 -5.33560
C 3.93730 -2.23680 -2.07620
H 3.89830 -1.69700 -1.12630
H 3.01990 -2.82990 -2.15580
H 4.77930 -2.93580 -2.04630
N 3.42740 -0.27600 -5.22400
H 2.76290 -0.15120 -5.97540
N 6.28210 -0.47790 -2.39200
H 6.97710 0.23690 -2.58710
H 5.90880 -0.30050 -1.45230
39
Molecule Name
C 1.73560 3.90670 -2.56300
C 1.12940 3.48520 -1.37750
C 3.62930 2.47680 -2.10760
C 2.98450 3.40300 -2.92780
C 1.01220 0.96300 2.59640
H 0.04680 1.41920 2.80200
C 1.55460 0.04760 3.50170
C 2.79300 -0.54290 3.24500
C 3.49250 -0.21740 2.08280
H 1.23540 4.63020 -3.20290
H 0.15750 3.88290 -1.09670
H 4.60530 2.09670 -2.39640
H 3.45930 3.73020 -3.85090
H 1.01080 -0.20550 4.40920
H 3.21370 -1.25520 3.95090
H 4.45820 -0.67600 1.88390
O 4.73480 0.54370 -0.33840
C 3.66110 1.06060 -0.05110
O 1.10660 2.19480 0.59160
C 1.70870 1.29130 1.43200
C 1.77020 2.55570 -0.55550
C 3.01560 2.05190 -0.92580
C 2.94540 0.70120 1.18160
N 5.75220 0.32280 -4.44010
C 5.42510 -0.48580 -3.47470
C 4.22020 -1.36740 -3.50720
C 3.48210 -1.26500 -4.61560
H 2.58580 -1.85190 -4.78370
O 5.18730 1.15600 -6.48920
C 4.95560 0.39740 -5.55150
C 3.93500 -2.29670 -2.37770
H 3.71420 -1.74030 -1.46270
H 3.07060 -2.93570 -2.58910
H 4.79110 -2.95280 -2.19060
N 3.84120 -0.40210 -5.60500
H 3.29470 -0.31320 -6.45080
N 6.25640 -0.47850 -2.38440
H 5.75230 -0.33940 -1.50020
H 6.94080 0.26670 -2.47430
39
Molecule Name
C 2.30430 0.51510 3.78220
C 2.15700 1.67480 3.01700
C 2.52380 -0.79650 1.76480
C 2.48820 -0.71900 3.15710
C 1.89170 3.97310 -1.08430
H 1.76170 4.88650 -0.50930
C 1.89130 4.02540 -2.48030
C 2.05250 2.85650 -3.22500
C 2.21460 1.63300 -2.57500
H 2.27470 0.57390 4.86790
H 2.01330 2.63330 3.50940
H 2.66370 -1.75900 1.27840
H 2.60190 -1.62130 3.75380
H 1.76220 4.97810 -2.98890
H 2.05100 2.89530 -4.31270
H 2.32950 0.72690 -3.16360
O 2.60540 -0.74100 -1.05790
C 2.41180 0.31370 -0.46390
O 2.04680 2.78590 0.94310
C 2.05840 2.75090 -0.43010
C 2.19370 1.60220 1.62320
C 2.37530 0.36760 1.00430
C 2.22310 1.58630 -1.17790
N 4.26810 -0.57770 -4.96100
C 4.60590 -0.98580 -3.77330
C 5.78130 -0.45640 -3.01960
C 6.47570 0.48860 -3.65900
H 7.35910 0.95770 -3.23930
O 4.73570 0.85040 -6.68020
C 5.00890 0.39980 -5.57080
C 6.12510 -1.00570 -1.67740
H 7.06660 -0.59070 -1.30140
H 5.34550 -0.76650 -0.94810
H 6.24060 -2.09360 -1.72260
N 6.09350 0.90480 -4.89750
H 6.60960 1.61630 -5.39720
N 3.79640 -1.94400 -3.21960
H 2.97570 -2.08550 -3.80090
H 3.47700 -1.69930 -2.27450
39
Molecule Name
C 1.48100 3.67850 -3.23330
C 2.22170 3.68820 -2.04900
C 0.96790 1.34090 -2.90020
C 0.85260 2.50660 -3.65760
C 3.88550 1.65450 1.85680
H 4.34820 2.60780 2.09940
C 4.02050 0.57300 2.73060
C 3.43930 -0.65750 2.41990
C 2.72640 -0.81080 1.23090
H 1.39030 4.58810 -3.82270
H 2.70790 4.60340 -1.72000
H 0.47910 0.42710 -3.22960
H 0.27160 2.50250 -4.57690
H 4.58600 0.68970 3.65230
H 3.54870 -1.49750 3.10170
H 2.27690 -1.77010 0.98690
O 1.47130 -0.95240 -1.30850
C 1.87870 0.13560 -0.91510
O 3.07840 2.61800 -0.13480
C 3.16860 1.50800 0.66870
C 2.33670 2.52500 -1.28610
C 1.71440 1.35620 -1.71780
C 2.59800 0.27530 0.35920
N 5.45570 -0.23660 -1.82760
C 4.61350 -0.87920 -2.58150
C 4.16170 -0.39250 -3.91830
C 4.66930 0.78720 -4.28440
H 4.42970 1.26620 -5.22730
O 6.74600 1.63360 -1.59110
C 5.95550 0.96610 -2.25260
C 3.22600 -1.21160 -4.73900
H 3.00490 -0.73150 -5.69830
H 3.66060 -2.19340 -4.95250
H 2.27570 -1.35760 -4.21650
N 5.53590 1.44680 -3.46790
H 5.93370 2.33770 -3.73220
N 4.12390 -2.05100 -2.06260
H 4.43110 -2.15030 -1.09870
H 3.10320 -2.09800 -2.08630
39
Molecule Name
C 4.58770 0.85360 2.21110
C 4.17930 1.90590 1.38810
C 3.18130 -0.67020 0.97050
C 4.08760 -0.43300 2.00420
C 1.61050 3.71670 -2.11630
H 2.06200 4.67860 -1.88700
C 0.66480 3.61810 -3.13980
C 0.08970 2.38400 -3.44780
C 0.46370 1.24410 -2.73620
H 5.29330 1.03940 3.01770
H 4.56890 2.90740 1.55370
H 2.79090 -1.67200 0.80800
H 4.40230 -1.24980 2.64940
H 0.38170 4.50510 -3.70180
H -0.64410 2.31110 -4.24690
H 0.01880 0.28230 -2.97850
O 1.48850 -0.96740 -1.28600
C 1.84990 0.16090 -0.96850
O 2.91660 2.76020 -0.40600
C 1.98410 2.58040 -1.39790
C 3.26990 1.67380 0.35500
C 2.77990 0.38680 0.14750
C 1.41340 1.34970 -1.71500
N 4.47930 0.65270 -3.54070
C 4.28380 -0.57630 -3.16410
C 5.15460 -1.28970 -2.18400
C 6.15380 -0.55620 -1.68690
H 6.86510 -0.94010 -0.96390
O 5.76530 2.52640 -3.30840
C 5.52460 1.36020 -3.00820
C 4.88630 -2.71390 -1.83820
H 5.61990 -3.10020 -1.12250
H 3.89550 -2.82500 -1.38720
H 4.93430 -3.34240 -2.73320
N 6.32540 0.73370 -2.08590
H 7.07980 1.30080 -1.72410
N 3.18860 -1.19850 -3.70780
H 2.58460 -1.62430 -3.00180
H 2.64310 -0.52430 -4.23790
39
Molecule Name
C 1.47690 4.51170 -1.86060
C 1.28620 4.21360 -0.50890
C 2.41410 2.31270 -2.22080
C 2.03930 3.56230 -2.71550
C 1.53870 1.34300 3.21670
H 1.09480 2.14330 3.80330
C 1.86090 0.12830 3.82760
C 2.43080 -0.90350 3.08020
C 2.68180 -0.72230 1.71980
H 1.18670 5.48580 -2.24870
H 0.84640 4.95710 0.15140
H 2.85030 1.57430 -2.89040
H 2.18460 3.79460 -3.76820
H 1.66600 -0.01400 4.88830
H 2.67890 -1.84850 3.55810
H 3.12660 -1.52680 1.13870
O 3.12810 -0.14970 -1.01410
C 2.61120 0.71440 -0.31630
O 1.44120 2.74950 1.32970
C 1.78640 1.52850 1.85520
C 1.65920 2.96470 -0.00900
C 2.22130 2.02110 -0.86680
C 2.35690 0.49570 1.11440
N 4.48870 -1.09270 -5.19620
C 4.84440 -1.05830 -3.94530
C 6.08670 -0.38490 -3.45990
C 6.82330 0.18780 -4.41650
H 7.75660 0.70200 -4.21380
O 5.00020 -0.46970 -7.33400
C 5.27720 -0.48510 -6.13740
C 6.45560 -0.42230 -2.01720
H 7.46940 -0.04100 -1.85180
H 5.77040 0.19490 -1.42980
H 6.42700 -1.44720 -1.63300
N 6.42330 0.14110 -5.71540
H 6.97240 0.56270 -6.45190
N 3.99610 -1.68400 -3.07080
H 3.80050 -1.15890 -2.21060
H 3.12060 -1.92010 -3.52640
39
Molecule Name
C 0.66210 4.74780 -1.30150
C 0.69500 4.27070 0.01080
C 1.80390 2.75710 -2.06060
C 1.21550 3.99180 -2.33600
C 1.79670 1.05310 3.26620
H 1.33990 1.71060 4.00170
C 2.34610 -0.16610 3.66980
C 2.93360 -1.01560 2.73090
C 2.97330 -0.64740 1.38580
H 0.20280 5.70970 -1.51820
H 0.26140 4.86310 0.81260
H 2.23090 2.17110 -2.87140
H 1.18710 4.36330 -3.35800
H 2.31530 -0.45460 4.71820
H 3.35970 -1.96510 3.04710
H 3.43010 -1.31060 0.65470
O 2.96700 0.28960 -1.28580
C 2.45000 0.98870 -0.42200
O 1.27310 2.63880 1.60620
C 1.83360 1.42570 1.92140
C 1.28230 3.03560 0.29150
C 1.83460 2.28480 -0.74450
C 2.42140 0.57440 0.98800
N 4.88760 -1.47610 -5.28640
C 4.81220 -0.56200 -4.36320
C 6.00100 0.16940 -3.82950
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39
Molecule Name
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39
Molecule Name
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39
Molecule Name
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39
Molecule Name
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