B2B4FH
-OEChem-04022107032D
45 48 0 0 0 0 0 0 0999 V2000
5.8372 -4.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6520 -0.3591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9788 -0.3237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9351 -4.3962 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
11.2887 -2.7006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0048 -0.8943 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.6225 -3.4464 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
7.7250 2.4941 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4160 3.4452 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
7.1070 4.3962 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0
6.3356 -1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6446 -2.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3416 -1.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6228 -2.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0352 -2.5857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6957 0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2919 -2.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8389 -3.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9829 -1.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3649 0.7999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6600 -0.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9294 -3.7919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0260 -2.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3140 -2.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6457 -1.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6435 -3.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3266 -2.0539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9465 -4.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0558 1.7510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3140 0.5453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1483 -0.2343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7466 0.3113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9123 1.0910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8578 -0.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5092 -4.2478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8417 -3.4094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7235 -1.7886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7207 -2.1857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1358 -4.6067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6741 2.2395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5084 1.4599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8729 0.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3932 -0.6558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1271 -1.1355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 2 0 0 0 0
2 19 2 0 0 0 0
3 25 1 0 0 0 0
3 30 1 0 0 0 0
4 7 1 0 0 0 0
5 7 2 0 0 0 0
6 11 1 0 0 0 0
6 16 1 0 0 0 0
6 19 1 0 0 0 0
7 26 1 0 0 0 0
8 9 2 0 0 0 0
8 29 1 0 0 0 0
9 10 2 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
12 14 1 0 0 0 0
12 18 1 0 0 0 0
13 15 2 0 0 0 0
13 21 1 0 0 0 0
14 17 2 0 0 0 0
14 22 1 0 0 0 0
15 18 1 0 0 0 0
15 23 1 0 0 0 0
16 20 1 0 0 0 0
16 31 1 0 0 0 0
16 32 1 0 0 0 0
17 19 1 0 0 0 0
17 24 1 0 0 0 0
20 29 1 0 0 0 0
20 33 1 0 0 0 0
20 34 1 0 0 0 0
21 25 2 0 0 0 0
21 35 1 0 0 0 0
22 28 2 0 0 0 0
22 36 1 0 0 0 0
23 27 2 0 0 0 0
23 37 1 0 0 0 0
24 26 2 0 0 0 0
24 38 1 0 0 0 0
25 27 1 0 0 0 0
26 28 1 0 0 0 0
27 39 1 0 0 0 0
28 40 1 0 0 0 0
29 41 1 0 0 0 0
29 42 1 0 0 0 0
30 43 1 0 0 0 0
30 44 1 0 0 0 0
30 45 1 0 0 0 0
M CHG 4 4 -1 7 1 9 1 10 -1
M END
$$$$