B91HQM
-OEChem-04022110583D
37 39 0 0 0 0 0 0 0999 V2000
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0.2573 -5.4357 -0.0026 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-4.8810 0.6541 0.0023 S 0 0 0 0 0 0 0 0 0 0 0 0
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4.2796 -0.2546 0.0137 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3743 1.1657 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0880 1.3317 -0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9623 0.3011 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1462 0.8511 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5418 -1.1120 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0667 1.0974 1.2047 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0680 1.0767 -1.2113 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4527 0.9401 1.2068 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4538 0.9194 -1.2092 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4252 0.6260 0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1262 -1.1075 0.0174 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3523 -1.7820 -1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3340 -1.7791 1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7838 2.0622 0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8041 2.9658 -0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9549 -3.1190 -1.2096 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9367 -3.1161 1.2065 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7472 -3.7861 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5396 1.1642 2.1534 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5419 1.1273 -2.1616 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9711 0.8826 2.1596 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9724 0.8451 -2.1609 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2012 -1.3001 0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6692 -1.5371 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.6757 -1.5213 0.9216 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5111 -1.2756 -2.1571 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4784 -1.2704 2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9548 4.0364 -0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8111 -3.6285 -2.1589 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7785 -3.6232 2.1548 H 0 0 0 0 0 0 0 0 0 0 0 0
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24 25 1 0 0 0 0
24 37 1 0 0 0 0
M END
$$$$