D0S3TZ
-OEChem-10101305032D
55 59 0 1 0 0 0 0 0999 V2000
6.3981 0.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5442 -3.3293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9176 -1.7946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1102 0.7309 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
4.6660 -0.7600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.5321 -0.2600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5321 0.7400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.4629 -0.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4421 -0.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6500 -1.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3793 0.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -0.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 1.2400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3181 1.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5749 2.3782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 0.7400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4501 -1.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5480 -2.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2659 3.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5968 2.5861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -0.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 1.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 -0.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0574 -2.3046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9571 1.4761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8682 -0.2149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0546 -0.2048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0537 -0.8682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6466 -0.1816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0408 -1.6860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4319 -2.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1877 0.9952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7729 0.2766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0646 1.7149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2675 1.7149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8929 1.4768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6466 2.2349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2934 1.8258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6636 -2.3905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0601 -1.6976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8133 3.6203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8842 3.8178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0710 2.9147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3645 2.0113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 1.8946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9541 -0.7969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8010 -0.5700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5741 0.2769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -0.5929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 1.0729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7413 -1.7713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5241 -2.6208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3736 -2.8379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6 1 1 1 0 0 0
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3 21 1 0 0 0 0
3 26 1 0 0 0 0
4 7 1 0 0 0 0
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4 14 1 0 0 0 0
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21 24 2 0 0 0 0
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24 25 1 0 0 0 0
24 51 1 0 0 0 0
25 52 1 0 0 0 0
26 53 1 0 0 0 0
26 54 1 0 0 0 0
26 55 1 0 0 0 0
M END
$$$$