D0CI3N
-OEChem-09301911273D
49 53 0 0 0 0 0 0 0999 V2000
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6.0448 2.3206 0.8522 S 0 0 0 0 0 0 0 0 0 0 0 0
1.7298 1.4684 1.6805 O 0 0 0 0 0 0 0 0 0 0 0 0
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-2.7487 1.0430 -1.0232 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4442 -0.8420 -0.7354 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7464 -0.8684 -1.4822 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3070 0.8167 -0.8585 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4645 -0.3137 -0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6588 -1.0121 0.3811 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.5243 -2.2939 0.9174 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.7087 -3.0525 1.4245 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8116 1.0620 0.7251 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3821 0.7253 0.9552 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5183 1.5959 -1.0785 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7285 0.3063 -0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9975 0.8836 -0.0845 C 0 0 0 0 0 0 0 0 0 0 0 0
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4.3962 2.1780 1.2788 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0111 0.2702 -0.8117 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.4925 -1.3507 -1.4044 C 0 0 0 0 0 0 0 0 0 0 0 0
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-6.8447 1.5227 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.9470 0.8826 -0.0276 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8161 -2.7185 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8512 -3.8908 1.4049 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6671 -1.0927 0.0523 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5767 1.4987 -0.7568 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2623 -2.4618 2.1621 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4130 -3.9836 1.9205 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3748 -3.3189 0.5972 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1323 -1.7456 -0.7507 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4795 2.5897 -1.5127 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9439 2.9253 1.9163 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.3835 -1.7935 -1.4154 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7311 1.4802 0.8661 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3043 -2.2676 -1.9518 H 0 0 0 0 0 0 0 0 0 0 0 0
-8.6258 -0.8203 -1.1763 H 0 0 0 0 0 0 0 0 0 0 0 0
-6.9636 2.4513 1.0914 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5190 1.6702 -0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0218 0.3458 -1.3963 H 0 0 0 0 0 0 0 0 0 0 0 0
1 32 1 0 0 0 0
2 23 1 0 0 0 0
2 25 1 0 0 0 0
3 20 2 0 0 0 0
4 11 1 0 0 0 0
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13 18 1 0 0 0 0
15 16 2 0 0 0 0
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17 21 2 0 0 0 0
17 36 1 0 0 0 0
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30 32 2 0 0 0 0
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31 32 1 0 0 0 0
31 47 1 0 0 0 0
M END
$$$$