BPD79O
-OEChem-04022110202D
60 62 0 1 0 0 0 0 0999 V2000
7.1574 1.6180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0530 0.6485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6840 -0.4959 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5851 -0.6370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.0301 0.4007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
17.8597 -0.8934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6352 -0.3306 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.8940 0.6354 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.9069 -1.1252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3256 0.4377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4142 -1.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8608 0.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6499 -0.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6454 -0.9791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3570 -0.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8794 -0.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9397 -0.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3230 -0.3064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5977 0.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2817 -1.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9960 0.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2548 -0.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.7031 0.8490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.2207 -1.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.6690 0.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.9279 -0.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8938 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1375 0.0329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8985 0.0154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5223 -1.6115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3478 -1.5610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.9335 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3066 1.0574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0083 -1.6649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8308 -1.6554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8557 0.9442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2464 0.4080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3879 -1.3166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1578 -1.1103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1705 -1.3776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9554 -1.5160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6191 0.5143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.8492 0.3080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0609 -0.8683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8308 -0.6620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -0.4377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4174 -1.2324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2120 -1.6029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1803 0.4735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3856 0.8440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0151 0.0494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6991 -1.8300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4938 -2.2006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8643 -1.4059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8696 0.9996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.8164 -1.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.5426 1.4479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.3812 -1.6817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.1074 1.0286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 7 1 0 0 0 0
1 8 1 0 0 0 0
2 16 2 0 0 0 0
3 9 1 0 0 0 0
3 10 1 0 0 0 0
3 13 1 0 0 0 0
4 11 1 0 0 0 0
4 12 1 0 0 0 0
4 14 1 0 0 0 0
5 18 1 0 0 0 0
5 22 1 0 0 0 0
5 56 1 0 0 0 0
6 28 3 0 0 0 0
7 9 1 0 0 0 0
7 11 1 0 0 0 0
7 29 1 0 0 0 0
8 10 1 0 0 0 0
8 12 1 0 0 0 0
8 30 1 0 0 0 0
9 31 1 0 0 0 0
9 32 1 0 0 0 0
10 33 1 0 0 0 0
10 34 1 0 0 0 0
11 35 1 0 0 0 0
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12 37 1 0 0 0 0
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13 15 1 0 0 0 0
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13 40 1 0 0 0 0
14 16 1 0 0 0 0
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15 18 1 0 0 0 0
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15 44 1 0 0 0 0
16 17 1 0 0 0 0
17 19 1 0 0 0 0
17 20 1 0 0 0 0
17 21 1 0 0 0 0
18 45 1 0 0 0 0
18 46 1 0 0 0 0
19 47 1 0 0 0 0
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19 49 1 0 0 0 0
20 50 1 0 0 0 0
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22 23 2 0 0 0 0
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23 25 1 0 0 0 0
23 57 1 0 0 0 0
24 26 2 0 0 0 0
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25 27 2 0 0 0 0
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26 60 1 0 0 0 0
27 28 1 0 0 0 0
M END
$$$$