D0I1EE
-OEChem-04152122332D
122129 0 0 0 0 0 0 0999 V2000
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7.8167 11.3131 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.3198 11.3131 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
12.9965 -7.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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3.8753 5.6653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8051 12.3131 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
6.9449 11.8031 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
6.9565 10.8032 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
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3.4597 11.8231 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0
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12.1304 -9.2215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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6.9343 3.7785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
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2.5381 10.3027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
12.1304 -5.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3984 -5.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1304 -6.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.2644 -3.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3984 -3.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3984 -2.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2644 -7.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5323 -1.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5323 -0.7215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1304 -8.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6663 0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8003 1.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2295 -9.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8003 2.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0314 -9.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0069 -10.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2539 -10.6303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9343 2.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3748 -9.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7840 -8.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6304 -11.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0166 -10.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2444 -10.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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14.7816 -9.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0134 -10.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0682 8.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9343 8.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0682 4.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.9343 9.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0682 5.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2022 9.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.8282 10.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.9343 6.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.9343 5.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8282 8.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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9.3203 -2.3041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1429 -0.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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8.4543 -0.8041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2769 0.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.8784 1.3612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1897 1.3862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5882 0.6959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4109 2.1709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0124 2.8612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3237 2.8862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7222 2.1959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.6390 -8.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.8994 -11.9707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6977 -11.2485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.3754 -11.5586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4712 4.0885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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4.3154 7.6239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2700 8.4457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8665 8.4457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1365 9.9948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5960 10.9227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 9.9948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2739 5.1903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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20106 1 0 0 0 0
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21119 1 0 0 0 0
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23 25 1 0 0 0 0
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31 32 1 0 0 0 0
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38 42 1 0 0 0 0
38 98 1 0 0 0 0
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39 41 1 0 0 0 0
39 44 2 0 0 0 0
40 45 1 0 0 0 0
40 46 2 0 0 0 0
41 47 2 0 0 0 0
42100 1 0 0 0 0
42101 1 0 0 0 0
43 48 1 0 0 0 0
44 49 1 0 0 0 0
44102 1 0 0 0 0
46104 1 0 0 0 0
47 50 1 0 0 0 0
47105 1 0 0 0 0
48107 1 0 0 0 0
48108 1 0 0 0 0
48109 1 0 0 0 0
49 50 2 0 0 0 0
49110 1 0 0 0 0
50111 1 0 0 0 0
51 52 1 0 0 0 0
51 54 2 0 0 0 0
51 55 1 0 0 0 0
52 56 2 0 0 0 0
52 65 1 0 0 0 0
53 57 1 0 0 0 0
54 58 1 0 0 0 0
54 66 1 0 0 0 0
55 59 2 0 0 0 0
55 62 1 0 0 0 0
56 60 1 0 0 0 0
57 61 2 0 0 0 0
57 64 1 0 0 0 0
58 63 2 0 0 0 0
59 61 1 0 0 0 0
59 71 1 0 0 0 0
60 67 2 0 0 0 0
61113 1 0 0 0 0
62 64 2 0 0 0 0
62112 1 0 0 0 0
63 69 1 0 0 0 0
64114 1 0 0 0 0
65 68 2 0 0 0 0
65115 1 0 0 0 0
66 70 2 0 0 0 0
66116 1 0 0 0 0
67 68 1 0 0 0 0
68117 1 0 0 0 0
69 70 1 0 0 0 0
70118 1 0 0 0 0
M CHG 6 9 -1 10 -1 11 -1 12 -1 13 -1 14 -1
M END
$$$$