B8AC1J
-OEChem-04042102373D
50 52 0 1 0 0 0 0 0999 V2000
1.6749 -4.9214 0.5348 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.7256 0.5786 1.5399 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.0855 -0.2184 -0.5581 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1805 1.1263 -0.4671 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8582 2.0471 0.2777 N 0 0 0 0 0 0 0 0 0 0 0 0
3.1502 2.9391 0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0523 0.3585 -1.3614 C 0 0 1 0 0 0 0 0 0 0 0 0
2.3725 1.1293 -1.2933 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0810 2.0475 -0.1484 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2165 -1.0390 -0.8598 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5526 3.7556 1.5724 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3002 2.0683 0.9358 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6389 3.8661 -0.6908 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1591 0.9088 -0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7040 -1.2647 0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8831 -2.1181 -1.6784 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9315 0.3901 -1.3224 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7509 1.2068 0.9443 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8576 -2.5693 0.8964 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0369 -3.4227 -1.2096 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5241 -3.6483 0.0778 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2959 0.1695 -1.1341 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1153 0.9863 1.1324 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8878 0.4675 0.0933 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3099 0.2362 0.2896 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1781 -5.0797 1.8606 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6913 0.3754 -2.3965 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5103 1.7316 -2.1972 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2577 0.5101 -1.1371 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7227 4.3871 1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1749 3.1101 2.3743 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3061 4.4180 2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9407 1.3098 1.6407 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8151 1.5437 0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0510 2.6766 1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8070 4.4199 -1.1416 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1384 3.3143 -1.4949 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3575 4.5978 -0.3045 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9703 -0.4477 1.0911 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5021 -1.9580 -2.6835 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5078 0.1591 -2.2951 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1725 1.6032 1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2406 -2.6729 1.9059 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7754 -4.2594 -1.8518 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8810 -0.2329 -1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5351 1.2301 2.1043 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2336 -6.1552 2.0589 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4961 -4.6525 2.6036 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1953 -4.6845 1.9549 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.6857 0.4187 1.6619 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
1 26 1 0 0 0 0
2 25 1 0 0 0 0
2 50 1 0 0 0 0
3 25 2 0 0 0 0
4 5 1 0 0 0 0
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4 14 1 0 0 0 0
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6 11 1 0 0 0 0
6 12 1 0 0 0 0
6 13 1 0 0 0 0
7 8 1 0 0 0 0
7 10 1 0 0 0 0
7 27 1 0 0 0 0
8 9 1 0 0 0 0
8 28 1 0 0 0 0
8 29 1 0 0 0 0
10 15 2 0 0 0 0
10 16 1 0 0 0 0
11 30 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
12 35 1 0 0 0 0
13 36 1 0 0 0 0
13 37 1 0 0 0 0
13 38 1 0 0 0 0
14 17 2 0 0 0 0
14 18 1 0 0 0 0
15 19 1 0 0 0 0
15 39 1 0 0 0 0
16 20 2 0 0 0 0
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17 22 1 0 0 0 0
17 41 1 0 0 0 0
18 23 2 0 0 0 0
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22 24 2 0 0 0 0
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23 24 1 0 0 0 0
23 46 1 0 0 0 0
24 25 1 0 0 0 0
26 47 1 0 0 0 0
26 48 1 0 0 0 0
26 49 1 0 0 0 0
M END
$$$$