D7RK2M
-OEChem-06062108562D
72 76 0 1 0 0 0 0 0999 V2000
3.3426 -3.3616 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
10.5028 -0.9676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.7239 3.0407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8564 -0.4295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2566 -2.5368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 -3.6935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.6103 -1.9987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -6.4597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.0776 3.5788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.6344 6.0985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5673 -1.5862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8994 -0.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5458 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2101 0.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1886 0.3148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8349 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2781 -2.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1456 0.7272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4778 1.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1241 0.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 -3.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -4.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7884 2.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4348 1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6318 -2.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3211 -3.1554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7669 2.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 -5.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -6.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -6.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0561 3.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3668 4.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3453 4.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6559 5.8923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9451 7.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.3023 5.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9606 -1.7141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3525 -0.5499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5169 -1.3298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5663 -1.9997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1596 -1.4674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1895 0.7282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5963 0.1959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7150 0.6424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9573 0.8901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6707 -2.9982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8711 1.3437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.5382 0.4720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3744 2.8835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.0414 2.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2177 -1.7434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8819 -5.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8709 -7.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -7.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6635 4.0403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -4.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -6.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9527 5.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6354 6.5119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.0421 5.9796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.7593 4.4803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.5344 6.8564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.1377 7.6383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3558 7.2416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8408 4.9401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7163 4.8927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.7637 5.7683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 26 1 0 0 0 0
2 16 2 0 0 0 0
3 35 2 0 0 0 0
4 13 1 0 0 0 0
4 15 1 0 0 0 0
4 16 1 0 0 0 0
11 5 1 6 0 0 0
5 17 1 0 0 0 0
5 50 1 0 0 0 0
6 17 1 0 0 0 0
6 21 2 0 0 0 0
7 17 2 0 0 0 0
7 25 1 0 0 0 0
8 29 1 0 0 0 0
8 30 1 0 0 0 0
8 57 1 0 0 0 0
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10 38 1 0 0 0 0
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10 40 1 0 0 0 0
11 12 1 0 0 0 0
11 13 1 0 0 0 0
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13 44 1 0 0 0 0
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15 48 1 0 0 0 0
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16 18 1 0 0 0 0
18 19 2 0 0 0 0
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21 22 1 0 0 0 0
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28 29 1 0 0 0 0
28 31 2 0 0 0 0
29 32 2 0 0 0 0
30 56 1 0 0 0 0
31 33 1 0 0 0 0
31 58 1 0 0 0 0
32 34 1 0 0 0 0
32 59 1 0 0 0 0
33 34 2 0 0 0 0
33 61 1 0 0 0 0
34 62 1 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
36 63 1 0 0 0 0
37 38 1 0 0 0 0
37 66 1 0 0 0 0
38 64 1 0 0 0 0
38 65 1 0 0 0 0
39 67 1 0 0 0 0
39 68 1 0 0 0 0
39 69 1 0 0 0 0
40 70 1 0 0 0 0
40 71 1 0 0 0 0
40 72 1 0 0 0 0
M END
$$$$