B52MQK
-OEChem-04012114192D
49 51 0 0 0 0 0 0 0999 V2000
2.0000 2.7334 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
10.3659 -6.2831 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0
2.8135 4.5605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1646 1.3245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0552 -5.3326 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
8.4088 -5.8707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4769 -3.0191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0605 -2.2144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8556 0.3734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4736 0.3734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5306 -2.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5306 -1.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7875 -3.9696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6646 -1.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4769 -1.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6646 -3.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7660 -4.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7986 -1.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7986 -2.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6646 -0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1646 1.3245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5768 2.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2202 5.4741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0767 -5.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 3.7515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 2.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9836 3.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 2.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3958 3.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6324 6.2831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2147 5.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1737 -4.0570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7670 -4.5893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6695 -0.8203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6646 -3.8344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3798 -4.0885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7866 -3.5562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2617 -1.4044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2617 -3.0244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5846 4.9725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3301 1.4626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6002 3.1118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6480 4.4225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1340 6.6475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2680 6.7847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1308 5.9187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2795 4.9620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8313 5.6434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1499 6.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 28 1 0 0 0 0
3 23 1 0 0 0 0
3 25 1 0 0 0 0
4 10 1 0 0 0 0
4 21 1 0 0 0 0
5 24 1 0 0 0 0
6 24 2 0 0 0 0
7 8 1 0 0 0 0
7 11 1 0 0 0 0
7 13 1 0 0 0 0
8 15 2 0 0 0 0
9 20 1 0 0 0 0
9 21 2 0 0 0 0
10 20 2 0 0 0 0
11 12 1 0 0 0 0
11 16 2 0 0 0 0
12 14 2 0 0 0 0
12 15 1 0 0 0 0
13 17 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
14 18 1 0 0 0 0
14 20 1 0 0 0 0
15 34 1 0 0 0 0
16 19 1 0 0 0 0
16 35 1 0 0 0 0
17 24 1 0 0 0 0
17 36 1 0 0 0 0
17 37 1 0 0 0 0
18 19 2 0 0 0 0
18 38 1 0 0 0 0
19 39 1 0 0 0 0
21 22 1 0 0 0 0
22 26 2 0 0 0 0
22 27 1 0 0 0 0
23 30 1 0 0 0 0
23 31 1 0 0 0 0
23 40 1 0 0 0 0
25 28 2 0 0 0 0
25 29 1 0 0 0 0
26 28 1 0 0 0 0
26 41 1 0 0 0 0
27 29 2 0 0 0 0
27 42 1 0 0 0 0
29 43 1 0 0 0 0
30 44 1 0 0 0 0
30 45 1 0 0 0 0
30 46 1 0 0 0 0
31 47 1 0 0 0 0
31 48 1 0 0 0 0
31 49 1 0 0 0 0
M CHG 2 2 1 5 -1
M END
$$$$