B9BQK0
-OEChem-04012112013D
42 44 0 0 0 0 0 0 0999 V2000
4.5964 -2.0761 0.0958 S 0 0 0 0 0 0 0 0 0 0 0 0
-4.8734 -1.7323 -0.0126 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.8186 5.6237 -0.0470 F 0 0 0 0 0 0 0 0 0 0 0 0
5.7591 -1.2181 0.2130 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3573 -3.1319 1.0604 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1861 -2.3997 -1.2683 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.2389 -2.3598 1.2500 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9133 -1.5615 0.0580 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9869 -0.5519 0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6678 0.6454 0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1752 -1.0268 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4305 -0.8374 0.0241 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0523 0.3449 0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0265 1.9298 0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0983 -0.9873 -1.1894 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1234 -0.9617 1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1619 -1.3875 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4657 -1.2627 -1.2007 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4908 -1.2371 1.2150 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6059 -2.8177 -1.5151 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7292 2.5422 -1.2072 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7004 2.5653 1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1061 3.7899 -1.2266 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0773 3.8132 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6463 -0.1305 -0.0378 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2198 4.4255 -0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7015 -2.5502 0.0673 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8722 1.0504 0.0512 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5697 -0.8908 -2.1348 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6146 -0.8451 2.1801 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9691 -1.3686 -2.1574 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0146 -1.3236 2.1627 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6745 -2.0301 -2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4779 -3.4718 -1.5819 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6934 -3.4021 -1.6467 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9760 2.0604 -2.1504 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9246 2.1018 2.1662 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3563 0.4183 0.8603 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3309 0.4017 -0.9372 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.7285 -0.2766 -0.0521 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1259 4.2668 -2.1743 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1769 4.3080 2.1217 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0 0 0 0
1 5 2 0 0 0 0
1 11 1 0 0 0 0
1 20 1 0 0 0 0
2 6 2 0 0 0 0
2 7 2 0 0 0 0
2 17 1 0 0 0 0
2 25 1 0 0 0 0
3 26 1 0 0 0 0
8 9 1 0 0 0 0
8 11 1 0 0 0 0
8 27 1 0 0 0 0
9 10 2 0 0 0 0
9 12 1 0 0 0 0
10 13 1 0 0 0 0
10 14 1 0 0 0 0
11 13 2 0 0 0 0
12 15 2 0 0 0 0
12 16 1 0 0 0 0
13 28 1 0 0 0 0
14 21 2 0 0 0 0
14 22 1 0 0 0 0
15 18 1 0 0 0 0
15 29 1 0 0 0 0
16 19 2 0 0 0 0
16 30 1 0 0 0 0
17 18 2 0 0 0 0
17 19 1 0 0 0 0
18 31 1 0 0 0 0
19 32 1 0 0 0 0
20 33 1 0 0 0 0
20 34 1 0 0 0 0
20 35 1 0 0 0 0
21 23 1 0 0 0 0
21 36 1 0 0 0 0
22 24 2 0 0 0 0
22 37 1 0 0 0 0
23 26 2 0 0 0 0
23 41 1 0 0 0 0
24 26 1 0 0 0 0
24 42 1 0 0 0 0
25 38 1 0 0 0 0
25 39 1 0 0 0 0
25 40 1 0 0 0 0
M END
$$$$