D0LH4L
-OEChem-10101305022D
45 48 0 1 0 0 0 0 0999 V2000
5.5103 1.5892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2762 2.6270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8680 0.0819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8680 -1.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1223 -1.9391 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.2641 -1.4422 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.2641 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -1.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1741 0.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9878 -1.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 0.0578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0134 -0.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 -1.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5320 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3820 1.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1821 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1149 -2.9391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2800 1.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6381 -1.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6381 0.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.4630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4987 2.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2637 -2.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9995 -2.4172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7966 -2.4172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1895 -2.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6006 -1.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6205 -0.5895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2452 0.1115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7203 1.4142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4949 -2.9345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1103 -3.5591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7349 -2.9437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 -2.5968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6453 0.7124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8119 2.9391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1187 2.5964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4915 3.2091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8787 2.5820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8703 -2.5864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6921 0.1234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4619 -0.7226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3079 -0.9528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0 0 0 0
1 23 1 0 0 0 0
2 18 1 0 0 0 0
2 38 1 0 0 0 0
3 21 1 0 0 0 0
3 24 1 0 0 0 0
4 22 1 0 0 0 0
4 42 1 0 0 0 0
5 6 1 0 0 0 0
5 10 1 0 0 0 0
5 17 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 25 1 0 0 0 0
7 9 1 0 0 0 0
7 11 2 0 0 0 0
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9 12 1 0 0 0 0
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10 28 1 0 0 0 0
10 29 1 0 0 0 0
11 14 1 0 0 0 0
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12 30 1 0 0 0 0
12 31 1 0 0 0 0
13 14 1 0 0 0 0
13 19 2 0 0 0 0
14 20 2 0 0 0 0
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16 18 1 0 0 0 0
16 32 1 0 0 0 0
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17 34 1 0 0 0 0
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19 22 1 0 0 0 0
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20 21 1 0 0 0 0
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21 22 2 0 0 0 0
23 39 1 0 0 0 0
23 40 1 0 0 0 0
23 41 1 0 0 0 0
24 43 1 0 0 0 0
24 44 1 0 0 0 0
24 45 1 0 0 0 0
M END
$$$$