B1A9TW
-OEChem-04042102463D
65 66 0 1 0 0 0 0 0999 V2000
2.0867 -3.2684 -0.0620 O 0 0 0 0 0 0 0 0 0 0 0 0
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0.7032 -0.4707 -0.1157 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2469 1.9603 0.0957 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1983 -0.2801 0.4214 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5699 -0.9233 0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.3914 -1.2192 0.9358 C 0 0 2 0 0 0 0 0 0 0 0 0
2.3898 -2.1292 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3028 -2.0001 1.6642 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9683 -1.7599 0.8583 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4750 -1.2507 -0.4804 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7461 0.8305 -0.5459 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7589 3.1178 -0.6015 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2672 3.0278 -0.9062 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4130 2.9209 0.3605 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.1621 -1.6180 2.6823 H 0 0 0 0 0 0 0 0 0 0 0 0
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3.2149 1.9754 1.1107 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3181 3.2358 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9685 3.9900 0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0736 2.1636 -1.5528 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9710 3.9205 -1.4702 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6794 2.0282 0.9346 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6185 3.7829 1.0075 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3582 3.8098 -0.5115 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2654 2.0535 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6311 1.8562 1.8370 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7366 3.6103 1.9464 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7463 3.6081 0.4861 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9659 2.6753 1.9634 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4994 0.5689 0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3736 1.4935 -0.8083 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.8599 1.3914 0.9681 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.6985 2.3444 -0.5035 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.3774 0.2800 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9212 0.3207 -0.9987 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4478 -1.2595 -0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0
-5.9633 -1.1615 0.7979 H 0 0 0 0 0 0 0 0 0 0 0 0
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-7.1663 -2.1512 -1.1836 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7411 -3.7918 -0.2808 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2861 -3.6831 0.5855 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.2200 -4.4292 -1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0
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M END
$$$$