B4IUM2
-OEChem-04012113493D
44 47 0 1 0 0 0 0 0999 V2000
-4.1757 0.5766 -1.6020 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.8081 4.4340 1.3521 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.1504 1.9638 0.5481 S 0 0 0 0 0 0 0 0 0 0 0 0
-2.2412 -3.3570 1.1570 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4946 -1.5691 0.4748 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3033 -1.8141 -0.2507 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.2383 2.3264 -0.0873 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1477 -0.7787 -1.8475 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.2672 -0.7072 -1.2268 C 0 0 2 0 0 0 0 0 0 0 0 0
0.5829 -2.2252 -1.5804 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1572 0.2523 -1.3026 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0596 -2.5724 -0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8177 0.7985 0.0942 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.5750 0.6351 -0.6105 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5878 1.3673 0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4370 -2.1937 0.4595 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8615 1.1691 -0.6699 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9689 2.5508 0.7156 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2828 2.9817 0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5295 0.8720 0.4315 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6021 -0.2796 1.2329 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5787 1.1351 -0.4648 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3552 -3.8247 1.9257 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6933 -1.1436 1.1407 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6697 0.2710 -0.5572 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7270 -0.8683 0.2457 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0884 -0.6246 -2.9331 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9913 -0.9665 -2.0073 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6660 -2.3772 -1.5744 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1642 -2.8713 -2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1612 1.0933 -2.0136 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1531 -0.1937 -1.3692 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2362 -3.6472 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5446 -2.2385 0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8187 -0.0041 0.8374 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2648 3.1383 1.2949 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8174 -0.5136 1.9486 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5541 2.0172 -1.1012 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0586 -4.7515 2.4239 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2056 -4.0350 1.2701 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6255 -3.0873 2.6874 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7392 -2.0294 1.7674 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4747 0.4849 -1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5767 -1.5408 0.1742 H 0 0 0 0 0 0 0 0 0 0 0 0
1 17 1 0 0 0 0
2 19 1 0 0 0 0
3 13 1 0 0 0 0
3 20 1 0 0 0 0
4 16 1 0 0 0 0
4 23 1 0 0 0 0
5 16 2 0 0 0 0
6 9 1 0 0 0 0
6 12 1 0 0 0 0
6 16 1 0 0 0 0
7 17 1 0 0 0 0
7 19 2 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 11 1 0 0 0 0
8 27 1 0 0 0 0
9 14 1 0 0 0 0
9 28 1 0 0 0 0
10 12 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 13 1 0 0 0 0
11 31 1 0 0 0 0
11 32 1 0 0 0 0
12 33 1 0 0 0 0
12 34 1 0 0 0 0
13 15 1 0 0 0 0
13 35 1 0 0 0 0
14 15 1 0 0 0 0
14 17 2 0 0 0 0
15 18 2 0 0 0 0
18 19 1 0 0 0 0
18 36 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
21 24 1 0 0 0 0
21 37 1 0 0 0 0
22 25 2 0 0 0 0
22 38 1 0 0 0 0
23 39 1 0 0 0 0
23 40 1 0 0 0 0
23 41 1 0 0 0 0
24 26 2 0 0 0 0
24 42 1 0 0 0 0
25 26 1 0 0 0 0
25 43 1 0 0 0 0
26 44 1 0 0 0 0
M END
$$$$