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EQ_0.mol
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247 lines (246 loc) · 10.9 KB
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EQ_0
OpenBabel05222511213D
119123 0 0 0 0 0 0 0 0999 V2000
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2.1008 0.3393 -3.7332 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.4436 1.5996 -5.4291 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8794 0.9940 0.0006 I 0 0 0 0 0 0 0 0 0 0 0 0
2.3321 3.2803 1.9449 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5345 1.6874 1.7823 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7864 2.1275 1.4153 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3321 3.5692 3.2472 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.2585 -2.1133 1.4035 P 0 0 0 0 0 4 0 0 0 0 0 0
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0.3502 -0.8186 3.6613 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7650 0.3536 4.3118 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4267 0.0454 4.7350 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6361 0.6385 5.0597 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5826 -0.7418 2.6672 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5991 -1.2542 3.3798 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7064 0.8256 4.5520 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4597 0.2710 5.3103 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6945 1.3301 5.8866 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9385 -2.7190 1.0388 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3902 -2.6816 -0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7363 -3.2865 2.0262 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6389 -3.1780 -0.5968 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9850 -3.7779 1.7016 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4392 -3.7207 0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7560 -2.2599 -1.0433 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3743 -3.3399 3.0441 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9833 -3.1383 -1.6193 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6072 -4.2114 2.4710 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4173 -4.1058 0.1458 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7468 0.7242 -0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7567 0.3884 1.0084 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9087 1.2010 -0.9349 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8999 0.5648 1.7662 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0607 1.3420 -0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0549 1.0399 1.1684 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8562 -0.0248 1.4554 H 0 0 0 0 0 0 0 0 0 0 0 0
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0.5099 2.7684 -1.7610 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.0511 4.0270 -1.5857 C 0 0 0 0 0 0 0 0 0 0 0 0
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M END