Marvin 02081311352D 43 44 0 0 0 0 999 V2000 8.1750 -5.0333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -4.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3782 -5.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1178 -6.5789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1178 -7.4039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4057 -7.8122 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4057 -6.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6937 -6.5789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6927 -7.4039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0184 -7.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7329 -7.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0163 -6.1633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7312 -6.5791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3476 -6.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0136 -5.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1909 -5.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8316 -7.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5467 -7.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2606 -7.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5479 -6.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -8.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1206 -9.0495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6917 -9.0500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6969 -8.2248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1199 -8.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7011 -5.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0114 -6.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4406 -6.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4284 -4.5578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -6.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4064 -6.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 -5.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5144 -5.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0684 -5.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8749 -5.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4289 -4.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2353 -4.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7893 -4.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1497 -3.8420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1272 -6.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5358 -3.4940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0890 -2.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -9.0751 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 8 12 1 0 0 0 0 6 21 1 1 0 0 0 9 10 1 0 0 0 0 21 22 2 0 0 0 0 10 11 1 0 0 0 0 21 23 1 0 0 0 0 11 13 1 0 0 0 0 9 24 1 6 0 0 0 12 13 1 0 0 0 0 6 25 1 0 0 0 0 4 7 1 0 0 0 0 8 26 1 1 0 0 0 5 6 1 0 0 0 0 12 27 1 1 0 0 0 6 9 1 0 0 0 0 13 28 1 6 0 0 0 8 7 1 0 0 0 0 15 29 2 0 0 0 0 8 9 1 0 0 0 0 14 30 2 0 0 0 0 13 14 1 0 0 0 0 30 31 1 0 0 0 0 14 15 1 0 0 0 0 30 32 1 0 0 0 0 15 16 1 0 0 0 0 32 33 2 0 0 0 0 16 12 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 5 17 1 6 0 0 0 35 36 1 0 0 0 0 2 1 1 0 0 0 0 36 37 2 0 0 0 0 17 18 1 0 0 0 0 37 38 1 0 0 0 0 38 2 1 0 0 0 0 3 2 1 0 0 0 0 2 39 1 0 0 0 0 18 19 1 0 0 0 0 35 40 1 0 0 0 0 4 5 1 0 0 0 0 38 41 1 0 0 0 0 18 20 2 0 0 0 0 41 42 1 0 0 0 0 M CHG 2 23 -1 43 1 M END