B2J3WI
-OEChem-04012113022D
55 58 0 0 0 0 0 0 0999 V2000
10.6350 -3.7369 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.1567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0531 -3.6563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3673 0.0604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 -1.9615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0102 1.7552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4103 -0.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9939 -1.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7210 0.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7210 -2.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6995 0.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9887 1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2993 2.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6995 -3.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2778 3.1182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3673 -2.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0102 -4.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9457 2.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5885 4.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3458 -2.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9887 -4.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9242 2.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5670 4.2749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6565 -3.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2348 3.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6139 -1.1567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7004 1.2182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1072 0.6859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.7767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -1.9667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0092 1.3418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6025 1.8741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5961 2.2167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2788 3.5316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6855 2.9993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1747 -1.7846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5961 -4.5302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7531 1.7846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1744 4.5302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.7599 -2.1187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1813 -4.8643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -0.1198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.9667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -1.1937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.3382 2.1187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7596 4.8643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8415 3.6585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 31 1 0 0 0 0
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3 14 2 0 0 0 0
4 15 2 0 0 0 0
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12 16 2 0 0 0 0
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13 17 2 0 0 0 0
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14 20 1 0 0 0 0
16 17 1 0 0 0 0
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18 19 1 0 0 0 0
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18 40 1 0 0 0 0
19 21 1 0 0 0 0
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20 22 2 0 0 0 0
20 23 1 0 0 0 0
21 24 2 0 0 0 0
21 25 1 0 0 0 0
22 26 1 0 0 0 0
22 44 1 0 0 0 0
23 27 2 0 0 0 0
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25 30 2 0 0 0 0
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27 31 1 0 0 0 0
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28 50 1 0 0 0 0
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29 32 2 0 0 0 0
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30 32 1 0 0 0 0
30 54 1 0 0 0 0
32 55 1 0 0 0 0
M END
$$$$