B6TEI8
-OEChem-04042104313D
49 51 0 0 0 0 0 0 0999 V2000
3.0649 1.0873 -0.5577 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2222 -0.5164 0.4584 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.3496 0.9793 -0.2566 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.9382 -1.1452 0.2502 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2776 0.5589 0.1953 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2472 -0.0840 1.4116 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8486 -0.9720 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9639 0.0027 -0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5794 0.4044 -0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4018 0.0141 -0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0732 1.0600 0.8482 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7856 -2.1407 -0.5316 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9916 0.2906 -0.1861 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2958 -0.9215 0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7351 0.8254 -0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8760 0.9148 -0.1347 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.9196 0.0216 0.1297 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5018 1.5648 0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1179 -0.7161 -0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3565 -1.8049 0.5148 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8615 1.8322 -0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2454 -0.4488 -0.7210 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6666 -1.3144 0.4489 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.3304 0.5080 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6618 1.3085 -0.5091 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0425 1.1104 1.1163 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7615 0.2470 2.3389 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8931 -0.9106 1.7255 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0728 -1.3528 -1.4592 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3602 -0.1809 -1.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1010 -0.5229 -1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5667 -0.6966 0.4178 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7629 1.4069 1.6275 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4783 1.9323 0.5637 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7022 0.7658 0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3140 -2.9113 0.0882 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0519 -2.6100 -1.4855 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7244 -1.8335 -0.0613 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1883 1.9441 -0.5144 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0581 1.9551 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1529 2.3682 0.4359 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4805 -1.7135 -0.8346 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.1702 -2.8447 0.7640 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2380 2.8258 0.2042 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8860 -1.2527 -1.0713 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.4904 -1.9947 0.6535 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6668 0.8085 1.0662 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.4271 1.3656 -0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.9991 -0.2730 -0.3089 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 15 1 0 0 0 0
2 5 1 0 0 0 0
2 6 1 0 0 0 0
2 7 1 0 0 0 0
3 9 1 0 0 0 0
3 10 1 0 0 0 0
3 39 1 0 0 0 0
4 10 2 0 0 0 0
4 14 1 0 0 0 0
5 8 1 0 0 0 0
5 25 1 0 0 0 0
5 26 1 0 0 0 0
6 11 1 0 0 0 0
6 27 1 0 0 0 0
6 28 1 0 0 0 0
7 12 1 0 0 0 0
7 29 1 0 0 0 0
7 30 1 0 0 0 0
8 31 1 0 0 0 0
8 32 1 0 0 0 0
9 14 2 0 0 0 0
9 16 1 0 0 0 0
10 13 1 0 0 0 0
11 33 1 0 0 0 0
11 34 1 0 0 0 0
11 35 1 0 0 0 0
12 36 1 0 0 0 0
12 37 1 0 0 0 0
12 38 1 0 0 0 0
13 18 2 0 0 0 0
13 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 2 0 0 0 0
15 22 1 0 0 0 0
16 17 2 0 0 0 0
16 40 1 0 0 0 0
17 23 1 0 0 0 0
17 24 1 0 0 0 0
18 21 1 0 0 0 0
18 41 1 0 0 0 0
19 22 2 0 0 0 0
19 42 1 0 0 0 0
20 23 2 0 0 0 0
20 43 1 0 0 0 0
21 44 1 0 0 0 0
22 45 1 0 0 0 0
23 46 1 0 0 0 0
24 47 1 0 0 0 0
24 48 1 0 0 0 0
24 49 1 0 0 0 0
M END
$$$$