Mrv1652304282204492D 13 13 0 0 1 0 999 V2000 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.3272 1.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1018 1.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.2375 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 4 10 1 1 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 2 13 1 6 0 0 0 M END > NP0057358 > NP-MRD > CC1(C)[C@@H](Br)CC=C(\C=C\Br)[C@@H]1Cl > InChI=1S/C10H13Br2Cl/c1-10(2)8(12)4-3-7(5-6-11)9(10)13/h3,5-6,8-9H,4H2,1-2H3/b6-5+/t8-,9-/m0/s1 > QRJOULVKMXUYFZ-MUNZNRDXSA-N > C10H13Br2Cl > 328.47 > 325.907254 > 0 > 26 > 25.642970330011522 > 1 > 0 > 0 > 1 > (4S,6S)-4-bromo-1-[(E)-2-bromoethenyl]-6-chloro-5,5-dimethylcyclohex-1-ene > 5.38 > 4.347368276666667 > -5.49 > 0 > 1 > 0 > 0.0 > 66.2555 > 1 > 1 > 1.07e-03 g/l > (4S,6S)-4-bromo-1-[(E)-2-bromoethenyl]-6-chloro-5,5-dimethylcyclohex-1-ene > 1 > NP0057358 > (1E,6S,8S)-1,6-Dibromo-8-chloro-1,3-ochtodiene $$$$