BZ7W5F
-OEChem-04022107422D
39 42 0 0 0 0 0 0 0999 V2000
4.5274 3.6109 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
8.0343 -2.6634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3923 0.3399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3518 3.2553 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7328 1.4960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.3424 1.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0274 2.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3219 1.4960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7029 3.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7183 3.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0274 2.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3364 3.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7123 1.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0547 2.4866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0528 -0.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0333 -0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7328 -1.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6938 -0.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3933 -2.1092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3738 -1.9126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7143 -3.6109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1160 0.7101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8724 0.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7081 1.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3034 0.8763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6208 2.9772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4518 2.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9426 3.8272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1806 3.5893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7844 0.2180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6607 2.6179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2317 0.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1249 -1.4803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3017 -0.8433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1949 -2.6966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1269 -3.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5159 -4.1983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3017 -3.8093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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12 13 1 0 0 0 0
12 14 2 0 0 0 0
15 32 1 0 0 0 0
16 17 2 0 0 0 0
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17 33 1 0 0 0 0
18 20 2 0 0 0 0
18 34 1 0 0 0 0
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20 21 1 0 0 0 0
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22 37 1 0 0 0 0
22 38 1 0 0 0 0
22 39 1 0 0 0 0
M END
$$$$