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Unverified Commit 74a81f21 authored by Gao, Xiang's avatar Gao, Xiang Committed by GitHub
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Add xyz files to be used in future tests (#164)

parent 06a6f381
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tools/generate-unit-test-expect/TS/EndoTS.xyz 0 → 100644
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C 0.32550 -0.67000 1.16540
C 0.22750 0.70790 1.16610
C -1.76600 1.30570 0.31180
C -1.78200 0.57950 -0.85750
C -1.68290 -0.82500 -0.85750
C -1.56460 -1.54160 0.31190
H -2.17050 0.89160 1.23020
H -1.64270 1.10320 -1.80080
H -1.47120 -1.32450 -1.80040
H -2.02320 -1.18910 1.23070
H -1.69650 2.38980 0.27850
H -1.34210 -2.60490 0.27870
C 1.17130 -1.05260 0.00720
O 1.59150 -2.12000 -0.33010
C 1.00980 1.20730 0.00780
O 1.27340 2.32380 -0.32950
O 1.43670 0.10220 -0.71420
H 0.24550 -1.32820 2.02100
H 0.05560 1.34720 2.02240
tools/generate-unit-test-expect/TS/ExoTS.xyz 0 → 100644
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C 0.14590 0.69100 0.92600
C 0.14590 -0.69100 0.92600
C -1.44130 -1.42860 -0.50210
C -2.51660 -0.70420 -0.04340
C -2.51660 0.70420 -0.04340
C -1.44130 1.42860 -0.50210
H -0.81420 -1.04220 -1.30030
H -3.29210 -1.21630 0.52320
H -3.29210 1.21630 0.52320
H -0.81420 1.04220 -1.30030
H -1.40020 -2.50720 -0.37610
H -1.40020 2.50720 -0.37610
H -0.22310 -1.34030 1.70730
H -0.22310 1.34030 1.70730
C 1.28040 1.13060 0.07260
O 1.69100 2.22890 -0.15950
C 1.28040 -1.13060 0.07260
O 1.69100 -2.22890 -0.15950
O 1.84770 0.00000 -0.49920
tools/generate-unit-test-expect/TS/TS.xyz 0 → 100644
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Energy: -147023.0504501
C 0.44051 1.42276 0.49490
C -1.55665 0.68949 -0.23046
C -1.55665 -0.68949 -0.23046
C 0.44052 -1.42276 0.49490
C 1.30957 -0.70366 -0.29208
C 1.30957 0.70366 -0.29208
H 0.37869 2.50379 0.39220
H -2.05862 1.23206 0.56639
H -2.05862 -1.23206 0.56639
H 0.37869 -2.50379 0.39220
H 1.84689 -1.21767 -1.08762
H 1.84688 1.21767 -1.08762
H -1.44805 -1.23191 -1.16356
H -1.44805 1.23191 -1.16356
H 0.12049 -1.04001 1.45841
H 0.12049 1.04001 1.45841
tools/generate-unit-test-expect/druglike/drugbank-0001.xyz 0 → 100644
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N 0.61040 -1.79310 0.30940
C 1.06930 -0.51280 -0.24190
C 0.26630 0.64910 0.37310
C -1.21000 0.60830 0.06950
C -2.14480 1.48330 0.57610
N -3.36020 1.16970 0.08600
C -3.13330 0.10650 -0.71410
N -1.83780 -0.25740 -0.74710
C 2.54730 -0.30180 -0.01010
O 3.21990 -1.11400 0.68160
O 3.17760 0.80150 -0.57810
H 1.13090 -2.57030 -0.15940
H 0.82380 -1.83400 1.33320
H 0.90670 -0.51880 -1.34210
H 0.66150 1.61580 -0.00800
H 0.40100 0.64170 1.47700
H -1.95500 2.30090 1.25900
H -3.91120 -0.39680 -1.27290
H -1.43040 -1.04080 -1.30300
H 4.16790 0.96320 -0.43910
tools/generate-unit-test-expect/druglike/drugbank-0002.xyz 0 → 100644
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N -2.00280 -0.63050 0.25080
C -1.31320 -0.18520 -0.96290
C 0.08560 -0.82670 -1.06250
C 0.93410 -0.56980 0.15090
C 1.55800 0.61510 0.47570
N 2.23390 0.42460 1.61810
C 2.01490 -0.85980 1.95750
N 1.22300 -1.50680 1.07650
C -1.22780 1.32220 -1.02480
O -0.99890 1.88000 -2.13040
O -1.37940 2.11630 0.11160
H -2.98170 -0.26170 0.22510
H -2.08820 -1.67270 0.21870
H -1.90470 -0.52300 -1.84460
H 0.61530 -0.45780 -1.96770
H -0.03770 -1.92470 -1.18560
H 1.53240 1.54320 -0.08010
H 2.81400 1.12360 2.13240
H 2.43290 -1.32630 2.83970
H -1.50980 1.72000 1.03400
tools/generate-unit-test-expect/druglike/drugbank-0003.xyz 0 → 100644
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C -1.22320 0.90840 -0.01150
C -0.49610 -0.17340 0.26510
O -1.08610 -1.20680 0.99230
C 0.90690 -0.28530 -0.18480
O 1.57480 -1.31810 0.08890
O 1.50310 0.74270 -0.91150
H -0.81480 1.73940 -0.57250
H -2.24980 0.97390 0.32580
H -0.57950 -2.05100 1.23010
H 2.46470 0.67030 -1.22200
tools/generate-unit-test-expect/druglike/drugbank-0004.xyz 0 → 100644
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N 1.26350 1.10340 1.35240
C 1.64430 0.09380 0.35800
C 0.68290 0.14370 -0.84370
C -0.74490 -0.11080 -0.42740
C -1.14170 -1.39110 -0.00410
C -2.46530 -1.62830 0.37930
C -3.40240 -0.59230 0.34020
C -3.01770 0.68230 -0.08420
C -1.69510 0.92420 -0.46890
C 3.06940 0.27320 -0.10880
O 3.75760 1.26090 0.26720
O 3.63350 -0.67210 -0.96040
H 1.89760 1.02040 2.18040
H 1.38660 2.06060 0.94740
H 1.57470 -0.90930 0.83320
H 0.97340 -0.62310 -1.59510
H 0.77170 1.13560 -1.34050
H -0.42730 -2.20440 0.02550
H -2.76500 -2.61590 0.70550
H -4.42650 -0.77760 0.63730
H -3.74460 1.48360 -0.11490
H -1.41250 1.91820 -0.79260
H 4.58790 -0.57500 -1.28560
tools/generate-unit-test-expect/druglike/drugbank-0006.xyz 0 → 100644
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N 2.92990 0.47010 0.62370
C 2.63260 -0.35300 -0.54500
C 1.45350 -1.29940 -0.26960
C 0.07700 -0.62340 -0.39400
C -0.20710 0.37550 0.74420
C -1.66100 0.89520 0.74580
N -1.98690 1.52410 -0.53690
C -2.63390 -0.21220 1.06070
O -2.60280 -0.77000 2.19060
O -3.56820 -0.62540 0.11420
H 3.68900 1.13830 0.35780
H 3.32550 -0.14830 1.36880
H 3.53020 -0.95850 -0.80390
H 2.40420 0.29950 -1.41610
H 1.49360 -2.11800 -1.02100
H 1.56150 -1.77440 0.73000
H -0.69100 -1.42620 -0.37650
H 0.00000 -0.11090 -1.37750
H 0.46920 1.25010 0.64050
H 0.01210 -0.10050 1.72540
H -1.75100 1.66090 1.54980
H -2.93370 1.96260 -0.45670
H -1.31980 2.31420 -0.69610
H -4.22290 -1.37030 0.32090
tools/generate-unit-test-expect/druglike/drugbank-0007.xyz 0 → 100644
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N -3.33820 -0.67150 0.32120
C -3.11420 -0.21590 -0.87140
N -4.08960 -0.39690 -1.90090
N -1.89450 0.48200 -1.16480
C -0.83240 0.68590 -0.18020
C -0.03210 -0.60840 0.02140
C 1.13450 -0.43130 1.01620
C 2.50590 -0.22950 0.32820
N 2.57960 1.03120 -0.41340
C 3.61370 -0.26970 1.34690
O 4.48300 -1.17920 1.28940
O 3.69830 0.68640 2.35670
H -4.21940 -1.17880 0.55930
H -4.98600 -0.89730 -1.70910
H -3.91620 -0.03120 -2.86320
H -1.77770 0.90840 -2.11160
H -0.16130 1.49150 -0.54200
H -1.27260 1.02460 0.78290
H 0.33650 -0.97870 -0.96010
H -0.71880 -1.38520 0.42190
H 1.19710 -1.35760 1.63010
H 0.92490 0.40040 1.72420
H 2.66760 -1.07000 -0.38500
H 2.01200 0.94580 -1.28710
H 2.17660 1.80780 0.15970
H 3.02340 1.43710 2.43510
tools/generate-unit-test-expect/druglike/drugbank-0008.xyz 0 → 100644
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O -2.10880 2.21560 -1.71240
C -1.53990 1.22520 -1.18410
O -0.17490 1.00530 -1.20980
C 0.11830 -0.20790 -0.51220
C 1.04090 0.06450 0.69010
O 1.29620 -1.14050 1.36530
C 2.36990 0.70530 0.25380
O 3.11420 -0.17560 -0.54590
C -1.24650 -0.68640 -0.07310
O -1.46330 -1.86590 0.63810
C -2.19200 0.15930 -0.47020
O -3.56420 0.05260 -0.25220
H 0.56850 -0.94810 -1.20840
H 0.52070 0.77660 1.37420
H 1.61930 -0.89890 2.27270
H 2.18630 1.66940 -0.27460
H 2.96690 0.94390 1.15940
H 2.84710 -0.00630 -1.48670
H -2.38750 -2.16830 0.91740
H -3.97130 -0.71990 0.25860
tools/generate-unit-test-expect/druglike/drugbank-0009.xyz 0 → 100644
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N -6.82720 1.70710 -0.28470
C -5.68050 0.86510 -0.61890
C -5.25850 -0.00220 0.57890
C -4.14230 -0.99340 0.22420
N -2.87060 -0.29240 0.00090
C -1.76470 -1.25410 -0.08070
C -0.43680 -0.51180 -0.25850
C 0.74210 -1.49350 -0.31520
C 2.07630 -0.77090 -0.52860
N 2.39170 0.07340 0.63230
C 3.47520 1.02870 0.35260
C 4.85010 0.34580 0.24680
C 5.96900 1.38590 0.09080
N 7.27800 0.74590 -0.02110
H -6.58090 2.30200 0.53970
H -7.62800 1.09380 -0.00730
H -5.95000 0.21520 -1.47960
H -4.83970 1.52050 -0.93020
H -4.92300 0.64880 1.41570
H -6.13910 -0.58300 0.93070
H -4.42680 -1.58470 -0.67580
H -4.04210 -1.69830 1.08010
H -2.93050 0.19250 -0.92520
H -1.92120 -1.94680 -0.93920
H -1.71350 -1.85070 0.85770
H -0.47060 0.07900 -1.20020
H -0.29930 0.19000 0.59300
H 0.78890 -2.08350 0.62650
H 0.58710 -2.20300 -1.15750
H 2.86920 -1.53790 -0.66940
H 2.01060 -0.16140 -1.45760
H 2.66570 -0.53800 1.43730
H 3.25790 1.60010 -0.57700
H 3.50360 1.76570 1.18420
H 5.03650 -0.25710 1.16220
H 4.86560 -0.33090 -0.63370
H 5.97500 2.06690 0.96960
H 5.78770 1.99860 -0.81920
H 7.44380 0.16400 0.83210
H 7.27130 0.10470 -0.84760
tools/generate-unit-test-expect/druglike/drugbank-0010.xyz 0 → 100644
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N -1.20780 -0.57700 0.90950
C -0.74390 0.57410 0.13070
C 0.78970 0.72980 0.24010
C 1.58750 -0.45370 -0.24150
O 1.02480 -1.49230 -0.68200
O 2.97640 -0.39400 -0.19300
C -1.17970 0.48470 -1.31570
O -1.05300 1.49510 -2.05680
O -1.71670 -0.68230 -1.85970
H -2.25410 -0.56340 0.92060
H -0.91140 -0.44500 1.90410
H -1.20620 1.49280 0.55920
H 1.10790 1.62560 -0.33590
H 1.05630 0.91710 1.30240
H 3.54160 -1.17340 -0.50830
H -1.81130 -1.53820 -1.32800
tools/generate-unit-test-expect/druglike/drugbank-0011.xyz 0 → 100644
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N 3.60820 0.06780 -0.39900
C 2.33180 0.52430 0.14680
C 1.14790 -0.14080 -0.57030
C -0.18930 0.34120 0.01100
C -1.39240 -0.27970 -0.72290
N -1.38530 -1.73890 -0.56930
C -2.68010 0.33090 -0.22150
O -3.55110 -0.37300 0.35860
O -2.91170 1.69000 -0.41170
H 3.66730 -0.97160 -0.29640
H 3.63720 0.28900 -1.42100
H 2.26670 1.62860 0.03580
H 2.29680 0.28410 1.23180
H 1.22840 -1.24370 -0.45680
H 1.18970 0.10700 -1.65360
H -0.23960 0.08390 1.09250
H -0.23680 1.44910 -0.08130
H -1.30930 -0.04050 -1.80620
H -1.52980 -1.98810 0.43680
H -2.18020 -2.14170 -1.11770
H -3.76830 2.12200 -0.08640
tools/generate-unit-test-expect/druglike/drugbank-0012.xyz 0 → 100644
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N 1.78470 1.60350 -1.00850
C 1.75250 0.17920 -0.91510
O 1.94640 -0.51730 -1.94710
C 1.49460 -0.49500 0.40140
C 0.16220 -1.26520 0.41850
C -1.07910 -0.35370 0.55420
N -2.25520 -1.16350 0.87690
C -1.34140 0.41140 -0.71820
O -1.58000 -0.20820 -1.78890
O -1.33990 1.80370 -0.72450
H 1.62460 2.19920 -0.16610
H 1.96010 2.06640 -1.92770
H 1.51800 0.24470 1.23050
H 2.32220 -1.21370 0.58510
H 0.19350 -1.94570 1.29750
H 0.07590 -1.91380 -0.48140
H -0.90530 0.36460 1.38750
H -3.07420 -0.52300 0.99730
H -2.10490 -1.60930 1.81140
H -1.15480 2.33560 0.11730
tools/generate-unit-test-expect/druglike/drugbank-0014.xyz 0 → 100644
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C -6.79920 0.87540 -1.17420
C -7.02280 -0.32320 -0.25990
C -5.75420 -1.11870 -0.12070
C -5.13920 -1.26830 1.06210
C -3.86200 -2.05100 1.19400
C -2.77440 -1.20040 1.79600
C -2.16040 -0.19090 1.15310
C -2.50150 0.23110 -0.25400
C -1.50680 1.23180 -0.78250
C -0.24890 0.93710 -1.16390
C 0.38160 -0.43530 -1.09860
C 1.34120 -0.58580 0.09450
C 2.49970 0.42870 0.12920
C 3.49350 0.24070 -1.02940
C 4.63970 1.26910 -1.01030
C 5.55900 1.20660 0.22360
C 6.27140 -0.14810 0.37510
C 7.29520 -0.15400 1.47880
O 7.49110 0.86620 2.19240
O 8.03840 -1.30430 1.72430
H -6.47530 0.53830 -2.18230
H -6.02420 1.54630 -0.74540
H -7.74600 1.44610 -1.27780
H -7.38520 0.03830 0.72750
H -7.80850 -0.97620 -0.69580
H -5.32900 -1.56780 -1.01440
H -5.56420 -0.82200 1.95730
H -3.52330 -2.47380 0.22340
H -4.05810 -2.90790 1.87250
H -2.45790 -1.42920 2.80970
H -1.38500 0.35070 1.68810
H -3.50160 0.71240 -0.23840
H -2.56070 -0.63950 -0.93960
H -1.83780 2.26220 -0.87770
H 0.36960 1.75010 -1.53280
H 0.92280 -0.62310 -2.04820
H -0.38560 -1.23260 -1.03160
H 1.76150 -1.61510 0.08560
H 0.76160 -0.48620 1.03600
H 2.10490 1.46680 0.13100
H 3.03200 0.27630 1.09120
H 2.95930 0.37410 -1.99280
H 3.90000 -0.79240 -1.02240
H 5.25840 1.12270 -1.92260
H 4.20570 2.29080 -1.07600
H 4.98620 1.44220 1.14520
H 6.32660 2.00290 0.10500
H 5.52690 -0.93910 0.60280
H 6.78190 -0.40590 -0.57760
H 7.90370 -2.14170 1.17030
tools/generate-unit-test-expect/druglike/drugbank-0015.xyz 0 → 100644
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N -0.51090 -1.39530 1.33670
C -0.07530 -0.12000 0.75920
C -0.97900 0.27830 -0.42420
O -0.67260 1.56950 -0.87860
C 1.36830 -0.19750 0.33230
O 1.99330 -1.29250 0.36340
O 2.02460 0.95560 -0.08810
H -0.59320 -2.11180 0.57790
H -1.46450 -1.26810 1.74770
H -0.15220 0.66080 1.54780
H -0.83850 -0.43720 -1.26290
H -2.04970 0.23070 -0.12020
H -1.04570 2.20190 -0.21030
H 2.99540 0.92580 -0.37570
tools/generate-unit-test-expect/druglike/drugbank-0017.xyz 0 → 100644
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N 3.00660 -0.66940 -1.52110
C 1.86770 -0.05610 -0.83200
C 0.71190 -1.07370 -0.75290
C -0.58300 -0.44720 -0.29440
C -1.26050 0.46530 -1.12070
C -2.46150 1.04320 -0.69830
C -3.00110 0.71310 0.54890
O -4.19780 1.29750 0.95720
C -2.33440 -0.20220 1.37440
C -1.13350 -0.78210 0.95430
C 2.25950 0.44090 0.54170
O 1.47690 1.19290 1.18260
O 3.48490 0.09000 1.10310
H 3.37270 -1.46970 -0.95450
H 3.77240 0.03850 -1.60790
H 1.54210 0.81900 -1.43650
H 0.54550 -1.52140 -1.75720
H 1.00540 -1.90660 -0.07560
H -0.86020 0.72630 -2.09240
H -2.97430 1.74700 -1.34160
H -4.61460 1.07880 1.85470
H -2.74560 -0.46460 2.34080
H -0.63050 -1.48540 1.60630
H 3.75130 0.42550 2.02110
tools/generate-unit-test-expect/druglike/drugbank-0019.xyz 0 → 100644
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C 1.68940 3.30370 2.14520
C 2.07920 1.87190 1.86610
C 3.44890 1.40190 2.21460
C 4.48860 2.22960 2.37450
C 5.82530 1.69440 2.70740
C 6.94950 2.43660 2.72780
C 6.91740 3.92860 2.53030
C 8.25700 1.81490 3.04170
C 8.73240 0.68810 2.48950
C 8.05040 -0.08670 1.41830
C 7.52490 -1.30400 1.71140
C 7.61180 -1.87940 3.10620
C 6.76600 -2.09300 0.66430
C 7.31150 -1.94300 -0.78070
O 7.81930 -3.16530 -1.25510
C 8.36760 -0.82940 -0.94400
C 8.09160 0.39770 -0.03960
C 9.23640 1.41350 -0.26950
C 6.75970 1.07250 -0.44050
C 1.15400 1.03190 1.35830
C 1.44260 -0.36190 0.94370
C 0.50930 -1.31290 0.79970
C -0.91880 -1.13970 1.16290
C -1.87710 -2.03460 0.86100
C -1.56510 -3.33540 0.16290
C -3.25630 -1.76950 1.32890
C -4.34730 -1.81970 0.55240
C -4.30640 -2.02330 -0.91550
C -5.40710 -2.19530 -1.66710
C -5.25300 -2.39410 -3.14870
C -6.74940 -2.31000 -1.05610
C -7.75730 -1.44990 -1.26380
C -7.66030 -0.16760 -2.07370
C -7.56260 0.98810 -1.08960
C -6.24430 1.27680 -0.42020
C -8.63770 1.72690 -0.74220
C -9.98520 1.63010 -1.42310
O -11.00270 1.65280 -0.45650
C -10.14280 0.36620 -2.28490
C -8.85530 0.01080 -3.07090
C -9.10570 -1.28240 -3.88220
C -8.52320 1.13330 -4.08710
H 1.91370 3.55180 3.20400
H 0.60750 3.49050 1.97390
H 2.25850 3.98520 1.47920
H 3.61590 0.34060 2.35220
H 4.35980 3.29250 2.22980
H 5.89230 0.63840 2.93010
H 6.31250 4.40400 3.33110
H 6.48390 4.17360 1.53790
H 7.94140 4.35790 2.56600
H 8.90000 2.34060 3.73700
H 9.69600 0.32420 2.82400
H 8.67490 -2.05840 3.37150
H 7.16440 -1.18070 3.84310
H 7.06920 -2.84460 3.18500
H 6.73820 -3.16960 0.94030
H 5.70930 -1.74920 0.69110
H 6.45010 -1.67780 -1.43270
H 8.55490 -3.43870 -0.64620
H 8.40940 -0.52540 -2.01390
H 9.37010 -1.24110 -0.68720
H 9.29960 1.69590 -1.34290
H 10.21420 0.97990 0.03350
H 9.06960 2.34470 0.31300
H 6.65850 2.06800 0.03540
H 5.88200 0.46310 -0.14470
H 6.71880 1.22880 -1.53990
H 0.15800 1.41330 1.17390
H 2.45960 -0.62760 0.68350
H 0.84460 -2.27110 0.42440
H -1.21170 -0.25150 1.70840
H -0.84950 -3.92830 0.77050
H -1.12840 -3.13640 -0.83850
H -2.47940 -3.95170 0.03250
H -3.38670 -1.48660 2.36690
H -5.30120 -1.62970 1.02880
H -3.34710 -1.98660 -1.41690
H -4.55540 -3.23550 -3.34680
H -6.22640 -2.63950 -3.62010
H -4.84860 -1.47090 -3.61480
H -6.90860 -3.12050 -0.35520
H -8.67160 -1.62910 -0.71280
H -6.73160 -0.17130 -2.68020
H -6.32680 1.08910 0.67120
H -5.43690 0.63670 -0.82910
H -5.96000 2.33690 -0.58960
H -8.51120 2.52680 -0.01680
H -10.09220 2.51630 -2.09070
H -11.08150 2.59110 -0.14030
H -10.43150 -0.48470 -1.63070
H -10.98960 0.51930 -2.99050
H -9.92000 -1.12640 -4.62270
H -8.19090 -1.57960 -4.43620
H -9.41080 -2.12410 -3.22520
H -8.25400 2.08240 -3.57900
H -7.65950 0.84100 -4.72290
H -9.39130 1.33030 -4.75270
tools/generate-unit-test-expect/druglike/drugbank-0021.xyz 0 → 100644
View file @ 74a81f21
14
O 0.85340 1.76000 1.28600
C 1.25470 0.71080 0.71710
O 2.22230 -0.07590 1.33490
C 0.66160 0.29820 -0.59850
C -0.40400 -0.78900 -0.41850
C -1.60210 -0.28100 0.33150
O -1.87780 -0.75150 1.46640
O -2.42270 0.69930 -0.21940
H 2.55200 -0.93260 0.90650
H 1.47270 -0.09750 -1.24650
H 0.22820 1.18190 -1.11540
H -0.73620 -1.14270 -1.41780
H 0.03950 -1.65920 0.11430
H -2.24160 1.07920 -1.14060
tools/generate-unit-test-expect/druglike/drugbank-0022.xyz 0 → 100644
View file @ 74a81f21
47
C -3.57990 -2.52650 -2.17550
C -2.73830 -1.56330 -1.37850
C -2.91210 -0.18750 -1.56130
C -2.14680 0.73700 -0.84690
N -2.35820 2.05620 -1.07310
C -1.65020 2.99610 -0.41660
C -1.85120 4.35930 -0.62660
O -2.71270 4.75660 -1.45710
N -1.11180 5.26420 0.07210
C -0.17330 4.87160 0.98080
O 0.49070 5.73610 1.61100
N 0.05520 3.55210 1.21510
C -0.63480 2.58100 0.55790
N -0.40820 1.24370 0.78740
C 0.63610 0.88290 1.78260
C 2.07940 1.05070 1.22100
O 3.01070 1.19590 2.26580
C 2.54650 -0.04430 0.21890
O 1.62880 -0.15060 -0.83880
C 2.79380 -1.43860 0.86820
O 3.91240 -1.39740 1.72050
C 2.99280 -2.55140 -0.17900
O 1.77330 -2.86840 -0.79200
C -1.16560 0.30510 0.09320
C -1.00510 -1.09220 0.26540
C -1.77630 -2.02070 -0.45510
C -1.54820 -3.49640 -0.24080
H -4.27650 -1.99640 -2.85950
H -2.92610 -3.17850 -2.79160
H -4.18620 -3.15450 -1.49000
H -3.64870 0.17510 -2.26940
H -1.26840 6.28540 -0.09070
H 0.48590 -0.10510 2.24620
H 0.53360 1.55780 2.66150
H 2.10400 2.00860 0.65960
H 2.81110 0.50880 2.95370
H 3.52250 0.29200 -0.20520
H 1.72250 0.66960 -1.39080
H 1.92240 -1.72270 1.48950
H 4.70980 -1.19400 1.16440
H 3.73220 -2.22520 -0.94500
H 3.38920 -3.45990 0.32790
H 1.97360 -3.57890 -1.45500
H -0.27510 -1.49790 0.93720
H -1.19160 -3.96170 -1.18340
H -2.49330 -3.98400 0.07680
H -0.78760 -3.68950 0.54530
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