B6MW1Z
-OEChem-04022101052D
56 59 0 1 0 0 0 0 0999 V2000
7.6336 -2.3949 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0
6.6555 -2.1870 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
7.0156 -0.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6254 -0.4450 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
5.7049 0.5556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1652 0.0553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.5397 -0.6393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.0795 -0.1390 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5018 1.6389 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.8286 -1.5283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.7801 1.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4161 1.4446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3683 -1.0280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7429 -1.7226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3366 0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2031 -2.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2129 2.5279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1376 -2.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.1396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0415 2.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2888 -2.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8384 3.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7527 3.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3465 -1.2359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4685 -3.2225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2771 0.1691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9109 -0.3158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6530 1.5944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3564 1.3196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5389 1.6621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2475 1.2678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5599 -1.6177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5106 -2.2975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2687 -2.0512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1034 1.0184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7542 0.2314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3114 0.4267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9709 -2.7978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7289 -2.5515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8312 3.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6655 2.2368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5193 -2.9679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6850 -2.1883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6183 -0.6510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4526 -1.4307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4232 1.6506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5890 2.4303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6749 -2.1149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2672 -2.6482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0706 3.7974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3126 3.5510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3666 3.1144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7743 3.6478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0077 -2.8076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0536 -3.6832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9292 -3.6374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 24 1 0 0 0 0
3 24 2 0 0 0 0
4 7 1 0 0 0 0
4 15 1 0 0 0 0
4 19 1 0 0 0 0
5 8 1 0 0 0 0
5 12 1 0 0 0 0
5 37 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 9 1 0 0 0 0
6 11 1 6 0 0 0
7 10 1 0 0 0 0
7 26 1 1 0 0 0
8 13 1 0 0 0 0
8 27 1 6 0 0 0
9 12 1 0 0 0 0
9 17 1 0 0 0 0
9 28 1 6 0 0 0
10 14 1 0 0 0 0
10 16 1 0 0 0 0
10 18 1 1 0 0 0
11 15 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 20 1 0 0 0 0
12 31 1 6 0 0 0
13 14 1 0 0 0 0
13 24 1 1 0 0 0
13 32 1 0 0 0 0
14 33 1 0 0 0 0
14 34 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
16 21 1 0 0 0 0
16 38 1 0 0 0 0
16 39 1 0 0 0 0
17 22 1 0 0 0 0
17 40 1 0 0 0 0
17 41 1 0 0 0 0
18 25 1 0 0 0 0
18 42 1 0 0 0 0
18 43 1 0 0 0 0
19 21 1 0 0 0 0
19 44 1 0 0 0 0
19 45 1 0 0 0 0
20 23 1 0 0 0 0
20 46 1 0 0 0 0
20 47 1 0 0 0 0
21 48 1 0 0 0 0
21 49 1 0 0 0 0
22 23 1 0 0 0 0
22 50 1 0 0 0 0
22 51 1 0 0 0 0
23 52 1 0 0 0 0
23 53 1 0 0 0 0
25 54 1 0 0 0 0
25 55 1 0 0 0 0
25 56 1 0 0 0 0
M CHG 2 1 1 2 -1
M END
$$$$