BIV78W
-OEChem-04012114063D
50 52 0 0 0 0 0 0 0999 V2000
-3.7089 1.9990 1.1713 S 0 0 0 0 0 0 0 0 0 0 0 0
4.7893 2.1927 -0.0310 S 0 0 0 0 0 0 0 0 0 0 0 0
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5.2617 2.4596 1.3204 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7433 1.8482 -1.0758 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2989 -3.2784 0.1518 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.2088 1.2068 1.3610 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8528 3.5204 -0.5598 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5350 -0.9698 -0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1551 -0.1332 0.4419 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9285 0.9429 0.0062 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.0823 1.1835 -1.3591 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6388 -2.0920 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.9911 -0.3891 1.9097 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6364 -1.0618 0.1718 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8903 -3.3812 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.9029 2.3261 -1.8637 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8909 -0.2668 1.2892 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3517 -0.8561 -1.0081 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0919 -4.1123 1.0452 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5758 0.9398 0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8604 0.7341 1.2269 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3213 0.1447 -1.0704 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.5828 -1.3787 2.1353 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2782 -2.6552 -2.7136 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3990 -1.3618 -3.8916 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0405 -1.4600 -2.8825 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9074 2.3405 -1.4301 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3809 3.2796 -1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0726 2.2236 -2.9436 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3424 -0.4138 2.2166 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1752 -1.4722 -1.8858 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8541 -4.0928 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5161 -3.6603 1.9473 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8667 -5.1599 1.2686 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0374 1.3455 2.1072 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8635 0.2899 -2.0005 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3844 0.7231 2.2501 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.0409 1.6579 0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6671 4.2721 0.1154 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9957 3.8517 -1.5216 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 2 0 0 0 0
1 5 2 0 0 0 0
1 9 1 0 0 0 0
1 13 1 0 0 0 0
2 6 2 0 0 0 0
2 7 2 0 0 0 0
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2 27 1 0 0 0 0
3 8 1 0 0 0 0
3 21 1 0 0 0 0
8 15 2 0 0 0 0
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27 28 2 0 0 0 0
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28 45 1 0 0 0 0
29 46 1 0 0 0 0
M END
$$$$