D09VPP
-OEChem-10101305022D
80 84 0 1 0 0 0 0 0999 V2000
2.5357 -2.6574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3307 0.8949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.4608 0.4291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6064 -1.0775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0628 -1.1050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.2868 -1.1119 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.1968 -0.6051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9288 -0.6051 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.2787 -2.1535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.0789 -2.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9288 0.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -2.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3433 -2.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8228 0.9296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.7288 0.4158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
8.8228 -1.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3599 -0.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7288 -0.6259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1968 0.3949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7056 -1.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4037 -2.1607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
8.7977 2.0143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.2945 -0.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4120 -1.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2709 -1.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0628 0.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6726 0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7288 2.5712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.6726 2.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8467 -3.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8466 -3.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5987 -0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9222 2.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7173 3.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9329 -0.1801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2820 -3.0035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2969 -2.7270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6880 -2.0311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7835 -3.1503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5818 -3.1472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0786 1.3404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4182 -1.6095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2164 -1.6187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7681 -0.0812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9700 -0.0658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9379 -1.2096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3397 -0.5198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2306 -2.2696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1041 -2.3460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1805 -1.4726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4025 -2.7807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2674 1.6930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9145 -0.1167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2993 0.5081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6745 -0.1071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2075 -0.4905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8004 -1.1771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6884 -1.7568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4830 -2.1273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8535 -1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0628 1.5150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8817 0.3673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2835 1.0571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2628 2.8864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2835 1.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8817 2.6197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3109 -3.8794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1587 -4.1030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3824 -3.2553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3085 -3.2632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5387 -4.1093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3848 -3.8791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2218 3.0403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3794 2.7971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6226 1.9547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3372 3.5783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7101 4.1911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0973 3.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.3453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0001 0.1233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
21 1 1 1 0 0 0
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2 19 2 0 0 0 0
3 32 1 0 0 0 0
3 80 1 0 0 0 0
4 32 2 0 0 0 0
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6 7 1 0 0 0 0
6 9 1 0 0 0 0
6 17 1 0 0 0 0
6 23 1 1 0 0 0
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8 11 1 0 0 0 0
8 16 1 0 0 0 0
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20 48 1 0 0 0 0
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21 24 1 0 0 0 0
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22 28 1 0 0 0 0
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27 29 1 0 0 0 0
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28 64 1 0 0 0 0
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30 70 1 0 0 0 0
30 71 1 0 0 0 0
30 72 1 0 0 0 0
31 67 1 0 0 0 0
31 68 1 0 0 0 0
31 69 1 0 0 0 0
33 73 1 0 0 0 0
33 74 1 0 0 0 0
33 75 1 0 0 0 0
34 76 1 0 0 0 0
34 77 1 0 0 0 0
34 78 1 0 0 0 0
M END
$$$$