RDKit 3D 49 52 0 0 0 0 0 0 0 0999 V2000 -1.7808 -3.8389 3.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5241 -3.7692 1.8285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9854 -3.1538 0.6981 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6944 -2.6055 0.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0433 -2.6791 1.9238 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4986 -3.2939 3.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1265 -1.9154 -0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6453 -0.5488 -0.6186 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1001 0.4788 0.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4136 0.5822 0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8864 0.8945 -1.0927 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2221 0.9746 -1.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6234 1.1652 -2.5316 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1380 0.7945 -0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5230 0.8965 -0.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3558 0.7085 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8030 0.4237 1.9355 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4161 0.3248 2.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5686 0.5083 0.9923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1798 0.3924 1.1815 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7275 -0.3584 -1.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0522 -1.1495 -2.3531 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5716 0.8452 -1.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 1.1202 -0.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0388 2.2340 0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2701 3.0651 -1.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6606 2.7515 -2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8123 1.6474 -2.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8813 3.5718 -3.4608 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.9426 4.2999 -3.8111 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9701 3.4540 -4.0363 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.3879 4.5754 -0.8217 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.2002 -4.3204 3.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5230 -4.1968 1.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5749 -3.1058 -0.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0442 -2.2548 1.9803 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0811 -3.3482 3.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3730 -2.5098 -1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -1.8919 -0.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5009 1.4658 0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3827 0.2363 1.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2571 0.9464 -1.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9479 1.1163 -1.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4350 0.7835 0.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4527 0.2758 2.7953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9921 0.1026 3.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0540 0.4607 0.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5131 2.4384 0.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3582 1.4061 -3.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 4 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 8 21 1 0 21 22 2 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 2 0 29 31 1 0 26 32 1 0 6 1 1 0 20 10 2 0 19 14 1 0 28 23 1 0 1 33 1 0 2 34 1 0 3 35 1 0 5 36 1 0 6 37 1 0 7 38 1 0 7 39 1 0 9 40 1 0 9 41 1 0 11 42 1 0 15 43 1 0 16 44 1 0 17 45 1 0 18 46 1 0 24 47 1 0 25 48 1 0 28 49 1 0 M CHG 2 29 1 31 -1 M END