RDKit 3D 52 52 0 0 0 0 0 0 0 0999 V2000 3.4870 2.1871 1.8634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8751 1.4302 0.9912 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3206 0.5518 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4307 0.2372 -1.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0565 0.7878 -0.9597 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0691 -0.3204 -0.9068 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2429 0.1213 -1.0967 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6775 1.0701 -0.2170 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7960 2.4330 -0.9192 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9062 2.2643 -2.4859 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.4068 3.4125 0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 4.7796 -0.5118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 0.7280 0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2246 -0.7720 0.2529 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4804 -1.2207 0.6545 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2357 -2.0096 -0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5804 -2.5134 0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7545 -2.3012 -1.3274 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1291 -1.1951 1.2323 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8628 -2.2264 2.5049 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1243 -1.9784 0.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2052 -1.2313 0.2735 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1727 -2.2300 -0.0856 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2469 -2.5283 0.7311 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2176 -3.5723 0.3003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3524 -1.8993 1.8054 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1342 2.8456 2.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3237 0.1795 -0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7759 -0.4231 -1.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9101 1.3256 -1.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9808 1.4860 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2670 -0.9548 -1.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0511 1.2423 0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2012 2.7916 -1.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7077 3.4828 0.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4052 3.0617 0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 4.8077 -1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7398 5.4642 -0.1654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5041 5.2925 -0.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8289 1.0805 -0.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3536 1.1706 1.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0216 -1.1540 -0.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5646 -2.7209 1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7315 -3.4697 -0.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3080 -1.7325 -0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6875 -0.3369 1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0398 -2.9480 0.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4772 -2.2160 -0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5277 -0.7841 1.2068 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2743 -3.2025 0.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0846 -4.5288 0.8226 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0926 -3.7639 -0.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 12 11 1 0 11 9 1 0 9 10 1 0 9 8 1 0 8 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 2 0 14 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 2 0 22 6 1 0 6 5 1 0 5 4 1 0 4 3 2 0 3 2 1 0 2 1 3 0 6 7 1 0 7 8 1 0 12 37 1 0 12 38 1 0 12 39 1 0 11 35 1 0 11 36 1 0 9 34 1 6 8 33 1 1 13 40 1 0 13 41 1 0 14 42 1 6 17 43 1 0 17 44 1 0 17 45 1 0 19 46 1 1 21 47 1 0 21 48 1 0 22 49 1 1 25 50 1 0 25 51 1 0 25 52 1 0 6 32 1 6 5 30 1 0 5 31 1 0 4 29 1 0 3 28 1 0 1 27 1 0 M END