B17BLA
-OEChem-04022101342D
51 52 0 1 0 0 0 0 0999 V2000
4.5875 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.8671 5.9002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3221 5.4006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 8.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7331 7.4002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 6.9002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9685 5.9387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 7.4002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7331 8.4002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.6793 8.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6793 7.0954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.8671 8.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2629 7.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0010 8.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0010 7.4002 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.8671 6.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9900 6.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2690 7.4002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 6.9002 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.2791 4.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 5.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6113 4.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2576 4.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9220 3.2934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5683 3.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9005 3.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8230 9.2454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2167 9.0141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4283 9.2718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2418 6.6561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2656 9.3751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4685 9.3751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7238 7.4854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7238 8.3149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7890 8.9828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3905 8.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0010 6.7802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1350 6.2802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3825 6.4002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 7.5202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7830 5.9002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4030 5.2802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0230 5.9002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0046 4.3717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6717 5.2434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 7.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5369 8.0202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5079 2.8319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1750 3.7036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0931 2.4978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5875 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 51 1 0 0 0 0
2 16 2 0 0 0 0
3 17 2 0 0 0 0
4 18 2 0 0 0 0
5 9 1 0 0 0 0
5 11 1 0 0 0 0
5 16 1 0 0 0 0
6 15 1 0 0 0 0
6 18 1 0 0 0 0
6 38 1 0 0 0 0
7 17 1 0 0 0 0
7 20 1 0 0 0 0
7 39 1 0 0 0 0
19 8 1 6 0 0 0
8 46 1 0 0 0 0
8 47 1 0 0 0 0
9 10 1 0 0 0 0
9 12 1 0 0 0 0
9 27 1 6 0 0 0
10 13 1 0 0 0 0
10 28 1 0 0 0 0
10 29 1 0 0 0 0
11 13 1 0 0 0 0
11 17 1 1 0 0 0
11 30 1 0 0 0 0
12 14 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
14 15 1 0 0 0 0
14 35 1 0 0 0 0
14 36 1 0 0 0 0
15 16 1 0 0 0 0
15 37 1 0 0 0 0
18 19 1 0 0 0 0
19 21 1 0 0 0 0
19 40 1 0 0 0 0
20 22 2 0 0 0 0
20 23 1 0 0 0 0
21 41 1 0 0 0 0
21 42 1 0 0 0 0
21 43 1 0 0 0 0
22 24 1 0 0 0 0
22 44 1 0 0 0 0
23 25 2 0 0 0 0
23 45 1 0 0 0 0
24 26 2 0 0 0 0
24 48 1 0 0 0 0
25 26 1 0 0 0 0
25 49 1 0 0 0 0
26 50 1 0 0 0 0
M END
$$$$