B2TNB6
-OEChem-04042102343D
38 39 0 1 0 0 0 0 0999 V2000
-3.3015 0.7819 -1.7316 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5558 1.3318 0.6870 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5415 -0.3859 0.0338 N 0 0 0 0 0 0 0 0 0 0 0 0
3.9984 1.1335 0.1508 N 0 0 0 0 0 0 0 0 0 0 0 0
0.4124 -3.5621 -0.5981 N 0 0 0 0 0 0 0 0 0 0 0 0
1.6005 0.9166 0.7084 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8480 -1.0527 0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6918 1.8002 0.0942 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9388 -0.1696 -0.5229 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5019 -1.2283 0.6217 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8512 -0.5422 0.6359 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0371 1.9758 -0.4389 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4658 -0.1873 -0.5649 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4516 -2.5328 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4809 -0.2671 1.8497 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7104 0.4425 -0.5521 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7254 0.3629 1.8626 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3402 0.7176 0.6618 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5907 0.4652 -2.9270 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6641 1.4747 0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7908 0.7947 1.7838 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1187 -1.2991 1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8518 -1.9881 -0.4778 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4244 2.0508 -0.9415 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7322 2.7406 0.6574 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9012 -0.6849 -0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7514 -0.0464 -1.5984 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7763 -1.4405 1.6663 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0173 1.4937 -0.3535 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1084 2.9293 0.0961 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8482 2.1877 -1.4975 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9322 -0.4220 -1.4798 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0154 -0.5362 2.7940 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2048 0.5715 2.8153 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8365 1.4406 1.6118 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2059 0.8054 -3.7666 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4621 -0.6160 -3.0464 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6418 1.0089 -2.9890 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
1 19 1 0 0 0 0
2 18 1 0 0 0 0
2 35 1 0 0 0 0
3 6 1 0 0 0 0
3 7 1 0 0 0 0
3 10 1 0 0 0 0
4 8 1 0 0 0 0
4 9 1 0 0 0 0
4 12 1 0 0 0 0
5 14 3 0 0 0 0
6 8 1 0 0 0 0
6 20 1 0 0 0 0
6 21 1 0 0 0 0
7 9 1 0 0 0 0
7 22 1 0 0 0 0
7 23 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
10 11 1 0 0 0 0
10 14 1 0 0 0 0
10 28 1 0 0 0 0
11 13 2 0 0 0 0
11 15 1 0 0 0 0
12 29 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
13 16 1 0 0 0 0
13 32 1 0 0 0 0
15 17 2 0 0 0 0
15 33 1 0 0 0 0
16 18 2 0 0 0 0
17 18 1 0 0 0 0
17 34 1 0 0 0 0
19 36 1 0 0 0 0
19 37 1 0 0 0 0
19 38 1 0 0 0 0
M END
$$$$