B0E3XF
-OEChem-04022102533D
54 54 0 1 0 0 0 0 0999 V2000
4.1321 -1.3120 1.7250 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1983 -3.5288 0.1950 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8083 -0.9874 -0.6982 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0323 -2.2596 -0.3751 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.9519 0.8152 0.2809 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8518 0.1442 -0.1985 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5634 0.8733 0.2273 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1091 1.0134 0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3021 0.0811 -0.1408 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4194 0.3723 -0.4543 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0015 0.8145 0.2036 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6180 1.2700 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2941 0.0903 -0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0144 -1.2057 0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9584 0.6674 -0.5595 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5557 0.8402 0.2505 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1495 1.5663 -0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8309 0.0962 -0.1241 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3115 0.4592 0.1153 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.3161 1.3047 0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6469 -0.7373 -0.5182 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.6563 0.9538 0.4228 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9870 -1.0884 -0.6812 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9917 -0.2428 -0.2107 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7800 -0.0332 -1.2807 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5248 1.8559 -0.2586 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5751 1.0496 1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9749 1.9713 -0.4971 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1966 1.2462 1.0908 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3040 -0.8853 0.3769 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3115 -0.1343 -1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3691 0.1907 -1.5342 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5677 -0.5980 0.0324 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0085 1.7945 -0.2904 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0086 1.0134 1.2829 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6447 1.4685 0.9457 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4859 2.2391 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2918 -0.9055 0.2878 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3103 -0.0720 -1.2585 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9339 0.4538 -1.6348 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1040 -0.2918 -0.0486 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5516 0.9898 1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5790 1.8269 -0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8176 -2.2255 -1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2281 1.7720 0.8059 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0567 2.5211 -0.7934 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0778 1.0860 -0.5908 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7938 1.7035 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1601 -3.6352 0.0999 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0685 2.2400 1.0813 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9273 -1.4427 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.4386 1.6121 0.7891 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.2497 -2.0198 -1.1745 H 0 0 0 0 0 0 0 0 0 0 0 0
-10.0352 -0.5161 -0.3376 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 2 0 0 0 0
2 4 1 0 0 0 0
2 49 1 0 0 0 0
3 18 2 0 0 0 0
4 14 1 0 0 0 0
4 44 1 0 0 0 0
5 18 1 0 0 0 0
5 19 1 0 0 0 0
5 48 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 14 1 0 0 0 0
6 25 1 0 0 0 0
7 9 1 0 0 0 0
7 26 1 0 0 0 0
7 27 1 0 0 0 0
8 10 1 0 0 0 0
8 28 1 0 0 0 0
8 29 1 0 0 0 0
9 11 1 0 0 0 0
9 30 1 0 0 0 0
9 31 1 0 0 0 0
10 12 1 0 0 0 0
10 32 1 0 0 0 0
10 33 1 0 0 0 0
11 13 1 0 0 0 0
11 34 1 0 0 0 0
11 35 1 0 0 0 0
12 15 1 0 0 0 0
12 36 1 0 0 0 0
12 37 1 0 0 0 0
13 16 1 0 0 0 0
13 38 1 0 0 0 0
13 39 1 0 0 0 0
15 17 1 0 0 0 0
15 40 1 0 0 0 0
15 41 1 0 0 0 0
16 18 1 0 0 0 0
16 42 1 0 0 0 0
16 43 1 0 0 0 0
17 45 1 0 0 0 0
17 46 1 0 0 0 0
17 47 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
20 22 1 0 0 0 0
20 50 1 0 0 0 0
21 23 2 0 0 0 0
21 51 1 0 0 0 0
22 24 2 0 0 0 0
22 52 1 0 0 0 0
23 24 1 0 0 0 0
23 53 1 0 0 0 0
24 54 1 0 0 0 0
M END
$$$$