B9DB2V
-OEChem-04022106433D
43 46 0 0 0 0 0 0 0999 V2000
4.5283 -1.1088 0.0165 S 0 0 0 0 0 0 0 0 0 0 0 0
5.3651 -0.6930 -1.1001 O 0 0 0 0 0 0 0 0 0 0 0 0
5.0937 -1.1785 1.3569 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0263 -0.2359 0.6900 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2960 2.4355 0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5760 1.9352 -0.1113 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8742 1.5774 0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8023 0.5381 -0.3965 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1221 -0.0738 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3025 0.9456 1.2682 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5699 1.3835 -1.0926 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1167 3.7916 0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4264 0.1199 1.2424 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6939 0.5579 -1.1185 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6768 2.7913 -0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2437 -2.1280 -0.7864 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2442 -1.5510 0.5008 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7824 0.0653 -1.6929 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0074 -1.2904 -1.8847 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2176 4.6476 0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4976 4.1476 0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8802 -2.7222 -0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4749 -3.5047 -0.9471 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4790 -2.3836 1.5916 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7067 -4.3141 0.1614 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7087 -3.7525 1.4321 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7701 1.0841 2.2063 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2484 1.8671 -2.0121 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8734 4.2004 0.5879 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7382 -0.3679 2.1616 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2156 0.4154 -2.0605 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6826 2.4196 -0.2597 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5990 0.7149 -2.5423 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9970 -1.6901 -2.8961 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0782 5.7036 0.6457 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3546 4.8142 0.2219 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3779 -2.6874 -1.3259 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1844 -3.0171 0.4306 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7170 -3.4229 -0.3969 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4754 -3.9544 -1.9375 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4854 -1.9680 2.5976 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8848 -5.3774 0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8886 -4.3765 2.3026 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 9 1 0 0 0 0
1 22 1 0 0 0 0
4 8 2 0 0 0 0
4 17 1 0 0 0 0
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7 10 2 0 0 0 0
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25 42 1 0 0 0 0
26 43 1 0 0 0 0
M END
$$$$