BQS3R7
-OEChem-04022107032D
50 53 0 0 0 0 0 0 0999 V2000
4.5106 -0.2700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3255 3.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9423 -1.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.1708 -3.0076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5256 -3.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6782 3.0064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2959 0.4544 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.0091 2.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3181 1.3122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2962 1.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0150 2.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9654 1.8475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7086 1.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5124 0.7300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6564 2.7985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6028 0.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9875 1.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3334 3.0402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3170 0.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3692 3.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6994 1.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6200 -0.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3191 2.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5875 -0.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9002 -1.6495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6086 -0.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8792 -1.8536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1918 -2.8035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4835 -3.9575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1826 -0.3471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3970 2.1122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5313 3.6278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9588 4.1491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1776 4.5472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7795 3.7659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5152 0.4913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8093 -0.7060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9056 3.2938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3942 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7090 0.9167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2012 -0.6110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6068 -0.0799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2866 -1.7382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8810 -2.2692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.4928 -1.7650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8984 -1.2339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8945 -4.1514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6773 -4.5464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0724 -3.7636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0 0 0 0
2 15 2 0 0 0 0
3 27 2 0 0 0 0
4 29 1 0 0 0 0
4 30 1 0 0 0 0
5 29 2 0 0 0 0
6 8 1 0 0 0 0
6 15 1 0 0 0 0
6 20 1 0 0 0 0
7 19 1 0 0 0 0
7 27 1 0 0 0 0
7 41 1 0 0 0 0
8 9 2 0 0 0 0
8 11 1 0 0 0 0
9 10 1 0 0 0 0
9 14 1 0 0 0 0
10 12 2 0 0 0 0
10 16 1 0 0 0 0
11 13 1 0 0 0 0
11 18 2 0 0 0 0
12 15 1 0 0 0 0
12 17 1 0 0 0 0
13 14 1 0 0 0 0
13 21 2 0 0 0 0
16 22 2 0 0 0 0
16 31 1 0 0 0 0
17 19 2 0 0 0 0
17 32 1 0 0 0 0
18 23 1 0 0 0 0
18 33 1 0 0 0 0
19 22 1 0 0 0 0
20 34 1 0 0 0 0
20 35 1 0 0 0 0
20 36 1 0 0 0 0
21 24 1 0 0 0 0
21 37 1 0 0 0 0
22 38 1 0 0 0 0
23 24 2 0 0 0 0
23 39 1 0 0 0 0
24 40 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
25 42 1 0 0 0 0
25 43 1 0 0 0 0
26 28 1 0 0 0 0
26 44 1 0 0 0 0
26 45 1 0 0 0 0
28 29 1 0 0 0 0
28 46 1 0 0 0 0
28 47 1 0 0 0 0
30 48 1 0 0 0 0
30 49 1 0 0 0 0
30 50 1 0 0 0 0
M END
$$$$