D0CI3N
-OEChem-09301911232D
49 53 0 0 0 0 0 0 0999 V2000
10.5063 -5.6325 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.9511 3.4719 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.5851 0.4420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3171 0.4420 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0655 -3.5926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9831 -2.0788 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6678 2.3194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3107 4.0143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5998 5.1710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1831 -1.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3171 -0.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1831 -2.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4511 -1.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0771 -2.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3171 -2.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4511 -2.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0771 -0.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5851 -0.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4511 1.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4511 0.9420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9831 -1.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6464 2.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9570 3.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9257 -4.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2558 2.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2892 4.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7974 -3.6126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9141 -5.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6576 -4.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7743 -5.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6461 -5.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3171 -3.1780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9142 -2.3680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8540 0.7520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0699 0.0967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8951 -0.0210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0481 -0.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2751 -1.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5250 -3.8963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5189 -0.7251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8451 2.3330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8046 -2.9926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3736 -5.4062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3933 2.9359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1981 -3.8188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7672 -6.2324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1858 5.6325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2065 5.2989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 32 1 0 0 0 0
2 23 1 0 0 0 0
2 25 1 0 0 0 0
3 20 2 0 0 0 0
4 11 1 0 0 0 0
4 20 1 0 0 0 0
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5 14 1 0 0 0 0
5 24 1 0 0 0 0
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6 14 2 0 0 0 0
6 21 1 0 0 0 0
7 22 1 0 0 0 0
7 29 2 0 0 0 0
8 26 2 0 0 0 0
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9 26 1 0 0 0 0
9 48 1 0 0 0 0
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10 11 1 0 0 0 0
10 12 2 0 0 0 0
10 17 1 0 0 0 0
11 13 2 0 0 0 0
12 14 1 0 0 0 0
12 15 1 0 0 0 0
13 16 1 0 0 0 0
13 18 1 0 0 0 0
15 16 2 0 0 0 0
15 33 1 0 0 0 0
16 34 1 0 0 0 0
17 21 2 0 0 0 0
17 36 1 0 0 0 0
18 37 1 0 0 0 0
18 38 1 0 0 0 0
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21 41 1 0 0 0 0
22 23 2 0 0 0 0
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24 28 1 0 0 0 0
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27 30 1 0 0 0 0
27 43 1 0 0 0 0
28 31 2 0 0 0 0
28 44 1 0 0 0 0
29 45 1 0 0 0 0
30 32 2 0 0 0 0
30 46 1 0 0 0 0
31 32 1 0 0 0 0
31 47 1 0 0 0 0
M END
$$$$