D0QQ3B
-OEChem-09301911313D
53 56 0 1 0 0 0 0 0999 V2000
5.5875 0.9294 2.2612 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3937 2.3772 -2.7544 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7255 -0.0829 -3.8278 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8517 0.4219 0.8896 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6129 1.8928 1.9046 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5447 1.2942 3.2030 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2375 -0.4550 -1.2510 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7449 -1.0968 -0.1421 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3918 0.0988 -0.2467 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.1039 -3.3057 0.7515 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3624 -0.4768 2.8630 N 0 0 0 0 0 0 0 0 0 0 0 0
3.5334 0.6024 -1.0945 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5518 -0.6623 -1.8189 C 0 0 2 0 0 0 0 0 0 0 0 0
2.6377 1.4791 -1.9664 C 0 0 2 0 0 0 0 0 0 0 0 0
2.6209 -0.5716 -0.7124 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8818 0.4564 -2.8120 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1001 1.3372 0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4624 -1.4234 -0.6128 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0032 -2.6688 -0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5355 -2.0350 0.5252 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9162 -3.6037 0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7130 -1.3986 0.8457 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5662 -0.0984 0.3492 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4118 -5.0053 0.5516 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5304 0.9672 0.4325 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.8938 0.6730 0.4534 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1021 2.2933 0.4918 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8288 1.7050 0.5337 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0370 3.3253 0.5722 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4005 3.0311 0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3766 0.2162 -1.6842 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6073 -1.6309 -2.3307 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9398 2.0559 -1.3467 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2049 -1.4981 -0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1748 -0.4204 0.2783 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0104 0.9002 -3.3044 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2962 1.7588 0.7254 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7507 2.1560 -0.2148 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1717 0.4736 -1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7762 2.8280 -3.3553 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1989 -0.7257 -4.3330 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9658 -3.0342 -0.7189 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.5469 -1.8390 1.3745 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7505 -1.2288 3.2050 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1554 -0.8352 2.3155 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0904 -5.7177 0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5928 -5.1486 0.1458 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3890 -5.2023 1.6274 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2596 -0.3492 0.3979 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0465 2.5539 0.4857 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.8906 1.4765 0.5476 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7039 4.3579 0.6203 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1284 3.8347 0.6554 H 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0 0 0 0
1 5 2 0 0 0 0
1 6 2 0 0 0 0
1 11 1 0 0 0 0
2 14 1 0 0 0 0
2 40 1 0 0 0 0
3 16 1 0 0 0 0
3 41 1 0 0 0 0
4 17 1 0 0 0 0
7 13 1 0 0 0 0
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10 20 1 0 0 0 0
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11 44 1 0 0 0 0
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12 14 1 0 0 0 0
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13 15 1 0 0 0 0
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13 32 1 0 0 0 0
14 16 1 0 0 0 0
14 33 1 0 0 0 0
15 34 1 0 0 0 0
15 35 1 0 0 0 0
16 36 1 0 0 0 0
17 37 1 0 0 0 0
17 38 1 0 0 0 0
18 19 2 0 0 0 0
19 21 1 0 0 0 0
19 42 1 0 0 0 0
20 22 2 0 0 0 0
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22 23 1 0 0 0 0
22 43 1 0 0 0 0
23 25 1 0 0 0 0
24 46 1 0 0 0 0
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24 48 1 0 0 0 0
25 26 2 0 0 0 0
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26 49 1 0 0 0 0
27 29 2 0 0 0 0
27 50 1 0 0 0 0
28 30 2 0 0 0 0
28 51 1 0 0 0 0
29 30 1 0 0 0 0
29 52 1 0 0 0 0
30 53 1 0 0 0 0
M END
$$$$