BI8E6T
-OEChem-04042102503D
49 51 0 1 0 0 0 0 0999 V2000
-5.5847 1.1624 1.4162 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9996 0.2019 -0.6017 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3759 0.8483 -0.4765 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1414 1.7592 0.1915 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5166 2.4027 0.3102 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1695 -0.0977 -1.2669 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5668 0.5254 -1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3628 1.5813 -0.1997 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1674 -1.4468 -0.6255 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1238 3.1524 -0.8773 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5531 1.4664 0.9361 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9970 3.3922 1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9824 0.7999 -0.3078 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6065 -1.5945 0.6902 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7271 -2.5591 -1.3429 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7921 0.2672 -1.3110 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5559 1.2841 0.8679 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6051 -2.8545 1.2886 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7257 -3.8191 -0.7446 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1646 -3.9667 0.5712 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1754 0.2189 -1.1384 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9392 1.2358 1.0403 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7490 0.7031 0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1659 -5.3144 1.2097 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1910 0.6514 0.2173 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8288 -0.1456 -2.3079 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7856 1.0143 -2.1951 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3741 -0.1687 -0.9998 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9142 3.8355 -0.5461 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5704 2.4703 -1.6093 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3667 3.7462 -1.4026 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3595 2.0372 1.4106 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0182 0.8087 0.1941 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0996 0.8276 1.7027 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8133 4.0086 1.7499 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5366 2.8768 2.2073 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2489 4.0739 0.9344 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9537 -0.7503 1.2778 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3825 -2.4596 -2.3687 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3821 -0.1064 -2.2445 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9495 1.6962 1.6705 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9510 -2.9572 2.3137 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3823 -4.6783 -1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7893 -0.1975 -1.9329 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3439 1.6216 1.9718 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3616 -5.9416 0.8102 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0063 -5.2397 2.2907 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1228 -5.8143 1.0301 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.5586 1.1227 1.5276 H 0 0 0 0 0 0 0 0 0 0 0 0
1 25 1 0 0 0 0
1 49 1 0 0 0 0
2 25 2 0 0 0 0
3 4 1 0 0 0 0
3 6 1 0 0 0 0
3 13 1 0 0 0 0
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6 26 1 0 0 0 0
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7 28 1 0 0 0 0
9 14 2 0 0 0 0
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10 30 1 0 0 0 0
10 31 1 0 0 0 0
11 32 1 0 0 0 0
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12 35 1 0 0 0 0
12 36 1 0 0 0 0
12 37 1 0 0 0 0
13 16 2 0 0 0 0
13 17 1 0 0 0 0
14 18 1 0 0 0 0
14 38 1 0 0 0 0
15 19 2 0 0 0 0
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16 21 1 0 0 0 0
16 40 1 0 0 0 0
17 22 2 0 0 0 0
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20 24 1 0 0 0 0
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22 23 1 0 0 0 0
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24 46 1 0 0 0 0
24 47 1 0 0 0 0
24 48 1 0 0 0 0
M END
$$$$