BX4AI2
-OEChem-04022103222D
57 59 0 1 0 0 0 0 0999 V2000
6.3301 3.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 5.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
2.8660 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1996 -2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9966 -2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7741 -2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1541 -1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -6.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0 0 0 0
2 22 1 0 0 0 0
3 6 1 0 0 0 0
3 13 1 0 0 0 0
3 14 1 0 0 0 0
11 4 1 6 0 0 0
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5 11 1 0 0 0 0
5 28 1 0 0 0 0
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9 34 1 0 0 0 0
9 35 1 0 0 0 0
10 36 1 0 0 0 0
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15 18 2 0 0 0 0
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16 20 2 0 0 0 0
16 21 1 0 0 0 0
17 47 1 0 0 0 0
17 48 1 0 0 0 0
17 49 1 0 0 0 0
18 23 1 0 0 0 0
19 22 2 0 0 0 0
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21 25 2 0 0 0 0
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22 26 1 0 0 0 0
23 26 2 0 0 0 0
23 53 1 0 0 0 0
24 27 2 0 0 0 0
24 54 1 0 0 0 0
25 27 1 0 0 0 0
25 55 1 0 0 0 0
26 56 1 0 0 0 0
27 57 1 0 0 0 0
M END
$$$$