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supra.xyz
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supra.xyz
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Energy =
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C 3.0615768 4.0796973 -0.0597586
N 2.4184848 3.8862083 -1.3472742
C 2.9128659 2.7987273 -2.0268541
N 3.9882568 2.3127518 -1.3200781
N 3.9431588 2.2455941 1.1393329
C 2.8295351 2.6841449 1.8167992
N 2.2598351 3.7162855 1.1027991
O 2.4285962 2.2570618 2.8977477
O 2.5117124 2.3781408 -3.1116233
C 1.3140552 4.6323219 1.7224573
C 1.2544961 4.6264205 -1.7741294
C 4.7457385 -2.0939929 0.0648080
C 5.1570748 -0.5981426 0.0172868
N 4.4177271 -0.0829332 -1.1416579
C 3.9379496 -1.1302972 -1.9219757
N 4.1002860 -2.2993962 -1.2222165
N 3.8874273 -2.1477175 1.2394388
C 3.8986215 -0.9727032 1.9505064
N 4.7286693 -0.0853892 1.2986018
O 3.3211148 -0.7743702 3.0177813
O 3.4709580 -1.0176704 -3.0511668
C 4.8865132 1.2978707 1.7069616
C 4.7874771 1.1940345 -1.7554064
C -4.7464951 2.0901483 0.0358535
C -5.1644398 0.5972160 0.0248937
N -4.7721727 0.1488945 -1.2919135
C -3.9522832 1.0619600 -1.9204917
N -3.8922898 2.1983783 -1.1435432
N -4.0899200 2.2341015 1.3227816
C -3.8735921 1.0269984 1.9400614
N -4.3998485 0.0207315 1.1378160
O -3.3346362 0.8597393 3.0304698
O -3.4180596 0.9127636 -3.0171825
C -4.7906034 -1.2625761 1.7283139
C -4.8865757 -1.2302387 -1.7255036
C -0.5230604 4.9727977 0.0016778
C -2.0303971 4.6219675 0.0129139
N -2.2245658 3.9875113 -1.2736163
C -1.0356793 3.7104840 -1.9073001
N -0.0033901 4.2281769 -1.1456682
N -0.0625911 4.5036498 1.2892052
C -1.0017510 3.7236870 1.9256694
N -2.1625224 3.7474522 1.1763257
O -0.8500163 3.1443304 2.9997004
O -0.9096034 3.1325394 -2.9854253
C -3.4591062 3.4602167 1.7747723
C -3.5038981 3.4779044 -1.7183858
C 0.5192935 -4.9804967 -0.0273422
C 2.0228407 -4.6274947 0.0419223
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C 1.0966709 -3.6606228 -1.8797416
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N 0.0287808 -4.6108994 1.2830038
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N 2.0963747 -3.7821550 1.2274453
O 0.7530599 -3.2946320 3.0587056
O 1.0046704 -3.0816665 -2.9595756
C 3.3662157 -3.3771718 1.7963375
C 3.5857500 -3.5754277 -1.6941559
C -4.1960724 -3.0106415 -0.0264081
C -3.0609773 -4.0711028 -0.0722491
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C -2.8488975 -2.6234687 -1.9115242
N -3.9062740 -2.1486174 -1.1655060
N -4.0226505 -2.3997411 1.2794004
C -2.8784401 -2.8294827 1.9144904
N -2.2907708 -3.8024773 1.1366743
O -2.4837275 -2.4504615 3.0158164
O -2.4272203 -2.1353238 -2.9588296
C -1.3524222 -4.7675620 1.6912386
C -1.2253380 -4.4914495 -1.7966206
H 5.2079427 3.4452883 -0.0322720
H 3.4202022 5.1117834 0.0376123
H 1.6390073 5.6575108 1.5050671
H 1.3399234 4.4748936 2.8039207
H 1.4251021 5.6882938 -1.5544802
H 1.1568583 4.5015663 -2.8557334
H 5.5898827 -2.7853833 0.1776047
H 6.2328478 -0.4399725 -0.1277600
H 4.7929497 1.3329542 2.7958746
H 5.8968719 1.6192258 1.4288044
H 4.6793408 1.0981717 -2.8393488
H 5.8392329 1.4010605 -1.5182938
H -5.5886840 2.7883933 -0.0436279
H -6.2371809 0.4379720 0.1889643
H -5.8458531 -1.4436583 1.4889520
H -4.6811000 -1.1886384 2.8136769
H -5.8862084 -1.5882783 -1.4526507
H -4.7922500 -1.2432873 -2.8148200
H -0.3188449 6.0440239 -0.1166459
H -2.6916654 5.4908972 0.1176592
H -3.3322968 3.3883850 2.8582395
H -4.1374281 4.2921552 1.5493560
H -3.4640910 3.3673790 -2.8053371
H -4.2696532 4.2208246 -1.4630939
H 0.3209422 -6.0401352 -0.2304748
H 2.6843113 -5.4962379 0.1487544
H 4.1006463 -4.1767012 1.6273475
H 3.2333214 -3.2382663 2.8728486
H 4.2890849 -4.3583295 -1.3895391
H 3.5520903 -3.5343025 -2.7859229
H -5.2032837 -3.4343596 -0.1208142
H -3.4203567 -5.1074450 -0.0675411
H -1.3884978 -4.6930838 2.7813502
H -1.6793552 -5.7714607 1.3937397
H -1.1197597 -4.2844493 -2.8645959
H -1.4115365 -5.5648241 -1.6592938
I -1.2820969 -0.1041869 0.2177375
I 1.3499383 0.1697897 -0.3831993