B78SDX
-OEChem-04012112222D
59 59 0 1 0 0 0 0 0999 V2000
6.3301 -0.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4321 0.2521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6126 1.9505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.4536 3.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.9515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9673 1.8994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5485 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.2363 -0.9839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.3953 -2.2711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7011 -2.6312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2731 1.5393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.9641 2.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9641 2.4904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6551 1.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.2242 1.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9184 1.5904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.1263 0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0773 0.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6615 2.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2853 -0.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4442 -1.9621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3701 0.9269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5706 2.6193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8993 3.1070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0289 3.1070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3576 2.6193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0887 1.7915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3451 1.0024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.8585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1306 0.4265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3335 0.4265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.0715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8384 2.5059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4576 1.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5067 0.5906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0400 -0.0017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 -1.8585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.8585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 0.4884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -0.5854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2460 -1.5485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.1685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4860 -1.5485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6970 0.3249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1636 0.9172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6656 -0.6966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1990 -1.2889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0733 2.3654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.5242 -2.8776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8560 -1.8562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8300 -3.2377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1114 -2.4396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 2 0 0 0 0
2 17 2 0 0 0 0
3 25 1 0 0 0 0
3 55 1 0 0 0 0
4 25 2 0 0 0 0
5 11 1 0 0 0 0
5 14 1 0 0 0 0
5 15 1 0 0 0 0
6 17 1 0 0 0 0
20 6 1 6 0 0 0
6 39 1 0 0 0 0
16 7 1 1 0 0 0
7 43 1 0 0 0 0
7 44 1 0 0 0 0
8 26 1 0 0 0 0
8 27 2 0 0 0 0
9 27 1 0 0 0 0
9 56 1 0 0 0 0
9 57 1 0 0 0 0
10 27 1 0 0 0 0
10 58 1 0 0 0 0
10 59 1 0 0 0 0
11 12 1 0 0 0 0
11 17 1 1 0 0 0
11 28 1 0 0 0 0
12 13 1 0 0 0 0
12 29 1 0 0 0 0
12 30 1 0 0 0 0
13 14 1 0 0 0 0
13 31 1 0 0 0 0
13 32 1 0 0 0 0
14 33 1 0 0 0 0
14 34 1 0 0 0 0
15 16 1 0 0 0 0
16 18 1 0 0 0 0
16 35 1 0 0 0 0
18 19 1 0 0 0 0
18 36 1 0 0 0 0
18 37 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
19 38 1 0 0 0 0
20 21 1 0 0 0 0
20 25 1 0 0 0 0
20 40 1 0 0 0 0
21 24 1 0 0 0 0
21 41 1 0 0 0 0
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22 45 1 0 0 0 0
22 46 1 0 0 0 0
22 47 1 0 0 0 0
23 48 1 0 0 0 0
23 49 1 0 0 0 0
23 50 1 0 0 0 0
24 26 1 0 0 0 0
24 51 1 0 0 0 0
24 52 1 0 0 0 0
26 53 1 0 0 0 0
26 54 1 0 0 0 0
M END
$$$$