BOJ18K
-OEChem-04012112223D
40 42 0 0 0 0 0 0 0999 V2000
7.5655 0.2501 0.0169 F 0 0 0 0 0 0 0 0 0 0 0 0
6.5362 -1.3351 1.0807 F 0 0 0 0 0 0 0 0 0 0 0 0
6.5217 -1.3009 -1.0936 F 0 0 0 0 0 0 0 0 0 0 0 0
-3.2977 -3.7707 0.5766 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0297 1.6222 0.0142 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3945 -3.2345 -0.5444 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7554 -0.5846 -0.0118 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5166 -0.1826 -0.0018 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.0670 1.0646 -0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9288 -0.0579 -0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1441 -0.4257 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9915 -1.5295 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6771 0.8636 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3749 -1.3485 -0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6207 2.3552 0.0079 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.3187 0.1431 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7792 0.4561 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0040 2.5365 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8513 1.4326 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2460 0.4147 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1741 0.3157 0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9300 -0.3150 0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4662 -2.8894 -0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8377 1.8400 0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2499 1.7085 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0818 2.4705 0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4235 -0.4990 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0757 1.7613 0.0098 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.0467 -2.2049 -0.0571 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9789 3.2338 0.0192 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.0005 -0.7047 -0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4139 -1.5411 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.4194 3.5400 0.0148 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.9281 1.5744 -0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8719 -1.4005 -0.0091 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5426 -1.1991 -0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9840 2.5007 0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2095 2.2179 0.0358 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1422 3.5551 0.0452 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9375 -4.6832 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0
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2 27 1 0 0 0 0
3 27 1 0 0 0 0
4 23 1 0 0 0 0
4 40 1 0 0 0 0
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9 10 1 0 0 0 0
9 13 1 0 0 0 0
9 15 2 0 0 0 0
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10 16 2 0 0 0 0
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12 14 2 0 0 0 0
12 23 1 0 0 0 0
13 28 1 0 0 0 0
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15 18 1 0 0 0 0
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21 22 2 0 0 0 0
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26 39 1 0 0 0 0
M END
$$$$