RDKit 3D 42 45 0 0 0 0 0 0 0 0999 V2000 1.2531 0.4252 -1.7797 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0273 -0.1286 -0.5809 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1011 -0.1639 0.6618 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6126 0.8131 1.2168 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8916 -1.4662 1.0190 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5276 -2.3029 0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5035 -3.5206 0.1604 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2279 -1.5525 -0.7484 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0128 -1.9009 2.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 -2.0273 1.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1571 -3.0856 1.5082 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3514 -2.6542 0.9660 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2217 -1.3613 0.7454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9883 -0.8909 1.1135 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1626 -0.4024 0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4233 -0.8400 -0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3448 0.0585 -0.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0108 1.4055 -0.9164 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7662 1.8616 -0.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8463 0.9605 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2533 2.6223 -1.6556 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.3237 0.6336 -0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2844 2.0020 0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4569 2.7255 0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7002 2.0985 0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 0.7412 -0.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5879 0.0183 -0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2657 -0.1100 -0.2664 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.1063 3.0519 0.4798 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.9704 1.4739 -1.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8494 0.3599 -2.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3257 -0.1355 -1.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7022 -1.9968 -1.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3595 -2.8667 2.4638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0433 -1.1691 2.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6969 -1.8914 -0.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3147 -0.3043 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5014 2.9126 -0.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 1.3379 0.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3316 2.5264 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3894 3.7815 0.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6768 -1.0389 -0.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 5 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 18 21 1 0 2 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 28 1 0 25 29 1 0 8 2 1 0 14 10 1 0 20 15 1 0 27 22 1 0 1 30 1 0 1 31 1 0 1 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 16 36 1 0 17 37 1 0 19 38 1 0 20 39 1 0 23 40 1 0 24 41 1 0 27 42 1 0 M END