BV4EF1
-OEChem-04012113003D
22 22 0 0 0 0 0 0 0999 V2000
4.4261 0.1301 0.5883 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-0.5647 -2.1981 -0.8567 S 0 0 0 0 0 0 0 0 0 0 0 0
0.8229 0.5275 -0.9742 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5793 0.2169 1.2141 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4546 0.5578 -0.4989 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2198 -0.6030 -0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9942 1.7881 -0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5244 -0.5334 0.1034 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2988 1.8575 0.3656 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0639 0.6968 0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8054 0.3432 0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6749 -3.1126 0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1613 0.3290 -0.6363 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4053 2.6974 -0.2096 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1446 -1.4217 0.1935 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7190 2.8156 0.6573 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0803 0.7516 0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7177 -3.2669 0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1533 -2.5722 1.5006 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2025 -4.0907 0.5815 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3336 1.2769 -1.1517 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2264 -0.5099 -1.3333 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
2 6 1 0 0 0 0
2 12 1 0 0 0 0
3 5 1 0 0 0 0
3 11 1 0 0 0 0
4 11 2 0 0 0 0
5 6 1 0 0 0 0
5 7 2 0 0 0 0
6 8 2 0 0 0 0
7 9 1 0 0 0 0
7 14 1 0 0 0 0
8 10 1 0 0 0 0
8 15 1 0 0 0 0
9 10 2 0 0 0 0
9 16 1 0 0 0 0
10 17 1 0 0 0 0
11 13 1 0 0 0 0
12 18 1 0 0 0 0
12 19 1 0 0 0 0
12 20 1 0 0 0 0
13 21 1 0 0 0 0
13 22 1 0 0 0 0
M END
$$$$