BN8MJ0
-OEChem-04022109302D
54 58 0 1 0 0 0 0 0999 V2000
3.4782 0.4611 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -3.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.8551 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 -2.0334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6448 -1.0334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.5911 -2.3382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.1747 -1.5334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.3154 1.0319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -2.5334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9128 -1.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6448 -2.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -3.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5911 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -2.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9017 0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8533 0.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9045 1.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5972 2.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -2.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -2.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -1.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2676 3.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6194 3.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -0.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -0.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2419 -2.8434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7008 -0.4508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3022 -1.1411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1774 -0.0585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3803 -0.0585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1588 -3.5334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7788 -4.1534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3988 -3.5334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3543 0.1639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1815 2.3314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7177 -0.7234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -3.1534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.0866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 -2.3434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7276 3.1178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6832 3.9935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8075 3.9491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7493 3.6073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0132 3.1310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4894 2.3948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5402 -1.5466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 -0.2618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2478 1.2354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 28 1 0 0 0 0
1 31 1 0 0 0 0
2 15 2 0 0 0 0
3 18 1 0 0 0 0
3 19 1 0 0 0 0
4 9 1 0 0 0 0
4 10 1 0 0 0 0
4 15 1 0 0 0 0
5 11 1 0 0 0 0
5 12 1 0 0 0 0
5 14 1 0 0 0 0
6 7 1 0 0 0 0
6 12 2 0 0 0 0
7 14 2 0 0 0 0
8 16 1 0 0 0 0
8 19 2 0 0 0 0
9 12 1 0 0 0 0
9 13 1 1 0 0 0
9 32 1 0 0 0 0
10 11 1 0 0 0 0
10 33 1 0 0 0 0
10 34 1 0 0 0 0
11 35 1 0 0 0 0
11 36 1 0 0 0 0
13 37 1 0 0 0 0
13 38 1 0 0 0 0
13 39 1 0 0 0 0
14 16 1 0 0 0 0
15 17 1 0 0 0 0
16 18 2 0 0 0 0
17 21 2 0 0 0 0
17 22 1 0 0 0 0
18 40 1 0 0 0 0
19 20 1 0 0 0 0
20 26 1 0 0 0 0
20 27 1 0 0 0 0
20 41 1 0 0 0 0
21 23 1 0 0 0 0
21 42 1 0 0 0 0
22 24 2 0 0 0 0
22 43 1 0 0 0 0
23 25 2 0 0 0 0
23 44 1 0 0 0 0
24 25 1 0 0 0 0
24 45 1 0 0 0 0
25 28 1 0 0 0 0
26 46 1 0 0 0 0
26 47 1 0 0 0 0
26 48 1 0 0 0 0
27 49 1 0 0 0 0
27 50 1 0 0 0 0
27 51 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 52 1 0 0 0 0
30 31 2 0 0 0 0
30 53 1 0 0 0 0
31 54 1 0 0 0 0
M END
$$$$