B5JCG3
-OEChem-04042101453D
60 63 0 0 0 0 0 0 0999 V2000
-8.5417 -0.2296 -1.5760 S 0 0 0 0 0 0 0 0 0 0 0 0
2.8722 3.1794 0.9307 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9620 -2.5066 -1.2999 O 0 0 0 0 0 0 0 0 0 0 0 0
-8.7424 -1.5941 -2.0231 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.9362 0.7561 -2.4508 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4194 0.8835 0.8533 N 0 0 0 0 0 0 0 0 0 0 0 0
-7.6988 -0.2220 -0.0942 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2031 0.9991 1.6454 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8217 -0.3646 0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0437 0.9038 0.7745 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3176 1.0166 1.6120 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5683 0.9592 0.7334 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9378 -0.5276 -0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8434 1.0385 1.5746 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1801 -1.6717 0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7866 0.5960 -0.6995 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0940 1.0145 0.6932 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1706 2.0448 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9535 -2.6370 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4076 1.8721 -0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0871 -1.9642 -0.6587 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3701 1.0637 1.5388 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0358 -2.0965 1.2601 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9525 0.4648 -1.4637 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.6368 1.0302 0.6904 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6564 -3.9894 -0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1851 2.9944 -0.5728 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7026 -3.4601 1.2562 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5070 -4.3996 0.5964 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7255 1.5849 -1.7786 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3428 2.8469 -1.3342 C 0 0 0 0 0 0 0 0 0 0 0 0
-10.1168 0.4146 -1.0604 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2311 0.2867 2.4747 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1967 1.9812 2.1353 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0749 0.0005 0.1602 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0243 1.7329 0.0536 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3082 1.9591 2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3489 0.2043 2.3478 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5490 1.7870 0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5693 0.0275 0.1545 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8343 1.9582 2.1719 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8712 0.1965 2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0770 1.8681 0.0048 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0809 0.1052 0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3730 1.9771 2.1456 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3762 0.2155 2.2348 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3764 -1.4487 1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2862 -0.5011 -1.8299 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.6473 1.8995 0.0246 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.5141 1.0813 1.3435 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2878 -4.7047 -0.5835 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9067 3.9897 -0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1903 -3.7944 1.7786 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2304 -5.4499 0.6080 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 1.4698 -2.3723 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9456 3.7160 -1.5806 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.7952 -1.0632 0.4899 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.7854 0.3882 -1.9242 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.5184 -0.2208 -0.2687 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0034 1.4456 -0.7229 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 7 1 0 0 0 0
1 32 1 0 0 0 0
2 18 2 0 0 0 0
3 21 2 0 0 0 0
6 8 1 0 0 0 0
6 9 1 0 0 0 0
6 18 1 0 0 0 0
7 25 1 0 0 0 0
7 57 1 0 0 0 0
8 10 1 0 0 0 0
8 33 1 0 0 0 0
8 34 1 0 0 0 0
9 13 2 0 0 0 0
9 15 1 0 0 0 0
10 11 1 0 0 0 0
10 35 1 0 0 0 0
10 36 1 0 0 0 0
11 12 1 0 0 0 0
11 37 1 0 0 0 0
11 38 1 0 0 0 0
12 14 1 0 0 0 0
12 39 1 0 0 0 0
12 40 1 0 0 0 0
13 16 1 0 0 0 0
13 21 1 0 0 0 0
14 17 1 0 0 0 0
14 41 1 0 0 0 0
14 42 1 0 0 0 0
15 19 1 0 0 0 0
15 23 2 0 0 0 0
16 20 1 0 0 0 0
16 24 2 0 0 0 0
17 22 1 0 0 0 0
17 43 1 0 0 0 0
17 44 1 0 0 0 0
18 20 1 0 0 0 0
19 21 1 0 0 0 0
19 26 2 0 0 0 0
20 27 2 0 0 0 0
22 25 1 0 0 0 0
22 45 1 0 0 0 0
22 46 1 0 0 0 0
23 28 1 0 0 0 0
23 47 1 0 0 0 0
24 30 1 0 0 0 0
24 48 1 0 0 0 0
25 49 1 0 0 0 0
25 50 1 0 0 0 0
26 29 1 0 0 0 0
26 51 1 0 0 0 0
27 31 1 0 0 0 0
27 52 1 0 0 0 0
28 29 2 0 0 0 0
28 53 1 0 0 0 0
29 54 1 0 0 0 0
30 31 2 0 0 0 0
30 55 1 0 0 0 0
31 56 1 0 0 0 0
32 58 1 0 0 0 0
32 59 1 0 0 0 0
32 60 1 0 0 0 0
M END
$$$$